| 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 | 48.3 | Very low | 47.8 | Very low | 233 Ų | 233 | 116.8 Ų | 116.8 | 100% | 1.148 | 70% | 0.703 | S | S | * | * | 0 | 116.1 | 0 | -69.9 | 171.1 | 64.9 | 0 | 0 | 107.1 | |||||
| 2 | S | 45.5 | Very low | 47.5 | Very low | 83 Ų | 83 | 121.3 Ų | 121.3 | 58% | 0.58 | 71% | 0.707 | S | S | * | * | trans | -70.1 | 135.5 | -171.3 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | V4 L5 | S2-V4 PolarHBondContact O-N 2.96Å; S2-L5 PolarHBondContact O-N 3.47Å | ||
| 3 | A | 51 | Low | 47.3 | Very low | 81 Ų | 81 | 123.5 Ų | 123.5 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -18.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | L5 L6 | A3-L5 VanDerWaalsContact C-N 3.31Å; A3-L5 PolarHBondContact O-N 3.37Å; A3-L6 PolarHBondContact O-N 3Å |
| 4 | V | 52.2 | Low | 46.8 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 68% | 0.679 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -67.3 | -29.9 | 175.6 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | S2 | S2-V4 PolarHBondContact O-N 2.96Å |
| 5 | L | 45.1 | Very low | 46.9 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 63% | 0.628 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -78.9 | -20.7 | 179.7 | -148.4 | 81.1 | 0 | 0 | 0 | 112.5 | S2 A3 | S2-L5 PolarHBondContact O-N 3.47Å; A3-L5 VanDerWaalsContact C-N 3.31Å; A3-L5 PolarHBondContact O-N 3.37Å |
| 6 | L | 46.3 | Very low | 46.8 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 63% | 0.628 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -77.4 | -30.5 | 178.4 | -137.2 | 90.1 | 0 | 0 | 0 | 112.1 | A3 A8 L9 L10 | A3-L6 PolarHBondContact O-N 3Å; L6-A8 VanDerWaalsContact C-N 3.32Å; L6-L9 PolarHBondContact O-N 3.46Å; L6-L10 PolarHBondContact O-N 3.29Å |
| 7 | L | 48.1 | Very low | 46.8 | Very low | 139 Ų | 139 | 124.6 Ų | 124.6 | 73% | 0.728 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -73.2 | -22.6 | 175 | -85.5 | 156.4 | 0 | 0 | 0 | 113 | ||
| 8 | A | 46.5 | Very low | 46.9 | Very low | 80 Ų | 80 | 121.3 Ų | 121.3 | 66% | 0.661 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -81.9 | -22.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L6 | L6-A8 VanDerWaalsContact C-N 3.32Å |
| 9 | L | 47.4 | Very low | 47.5 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -90.7 | -20.4 | 178.7 | -87.6 | 156.1 | 0 | 0 | 0 | 113.4 | L6 G11 | L6-L9 PolarHBondContact O-N 3.46Å; L9-G11 VanDerWaalsContact C-N 3.34Å; L9-G11 PolarHBondContact O-N 2.91Å |
| 10 | L | 48.4 | Very low | 48.3 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 56% | 0.555 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -83.8 | 84.4 | 163.8 | -79.9 | 155.4 | 0 | 0 | 0 | 107.6 | L6 F12 | L6-L10 PolarHBondContact O-N 3.29Å; L10-F12 PolarHBondContact O-N 2.94Å |
| 11 | G | 47.2 | Very low | 49.9 | Very low | 69 Ų | 69 | 119.3 Ų | 119.3 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | trans | -59.5 | 70 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L9 I13 | L9-G11 VanDerWaalsContact C-N 3.34Å; L9-G11 PolarHBondContact O-N 2.91Å; G11-I13 PolarHBondContact O-N 2.67Å | ||
| 12 | F | 44.3 | Very low | 52.1 | Low | 171 Ų | 171 | 109.3 Ų | 109.3 | 75% | 0.75 | 65% | 0.651 | S | S | * | * | trans | -72.7 | 78.2 | 156.7 | -95.8 | -89.1 | 0 | 0 | 0 | 106.6 | L10 L14 | L10-F12 PolarHBondContact O-N 2.94Å; F12-L14 PolarHBondContact O-N 3.21Å | ||
| 13 | I | 45.1 | Very low | 54.5 | Low | 150 Ų | 150 | 108.2 Ų | 108.2 | 77% | 0.769 | 64% | 0.638 | S | S | * | * | trans | -61.6 | 91 | 144 | -56.2 | 177.6 | 0 | 0 | 0 | 103.2 | G11 P15 | G11-I13 PolarHBondContact O-N 2.67Å; I13-P15 WeakPolarHBondContact O-CD 3.11Å | ||
| 14 | L | 40.2 | Very low | 56.7 | Low | 139 Ų | 139 | 104.3 Ų | 104.3 | 73% | 0.728 | 61% | 0.606 | S | S | * | * | trans | -55.1 | 111.7 | 155.7 | -82.7 | 160.7 | 0 | 0 | 0 | 103.4 | F12 L16 | F12-L14 PolarHBondContact O-N 3.21Å; L14-L16 PolarHBondContact O-N 2.93Å | ||
| 15 | P | 48.1 | Very low | 58.8 | Low | 101 Ų | 101 | 100.2 Ų | 100.2 | 66% | 0.656 | 58% | 0.58 | S | S | * | * | trans | -57.5 | 118.6 | 165.6 | 26.7 | -28.4 | 0 | 0 | 0 | 103.1 | I13 | I13-P15 WeakPolarHBondContact O-CD 3.11Š| ||
| 16 | L | 44.3 | Very low | 61.3 | Low | 159 Ų | 159 | 99.2 Ų | 99.2 | 83% | 0.832 | 57% | 0.57 | S | S | * | * | trans | -40.6 | 124.1 | 151.8 | -81.6 | 151.3 | 0 | 0 | 0 | 104.2 | L14 G18 | L14-L16 PolarHBondContact O-N 2.93Å; L16-G18 PolarHBondContact O-N 2.86Å | ||
| 17 | P | 47.3 | Very low | 63.7 | Low | 114 Ų | 114 | 94.3 Ų | 94.3 | 74% | 0.74 | 55% | 0.549 | S | S | * | . | trans | -56.3 | 99.4 | -178.5 | 20.7 | -29.2 | 0 | 0 | 0 | 105.5 | V19 | P17-V19 VanDerWaalsContact C-N 3.26Å; P17-V19 PolarHBondContact O-N 3.37Å | ||
| 18 | G | 49.1 | Very low | 66 | Low | 64 Ų | 64 | 90.8 Ų | 90.8 | 66% | 0.66 | 53% | 0.533 | S | S | * | . | trans | -66 | 103.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 101.9 | L16 Q20 | L16-G18 PolarHBondContact O-N 2.86Å; G18-Q20 VanDerWaalsContact C-N 3.29Å; G18-Q20 PolarHBondContact O-N 2.61Å | ||
| 19 | V | 58.2 | Low | 68.3 | Low | 94 Ų | 94 | 89.3 Ų | 89.3 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | trans | -55.7 | 103.8 | -178.4 | 175 | 0 | 0 | 0 | 0 | 105.2 | P17 A21 S51 | P17-V19 VanDerWaalsContact C-N 3.26Å; P17-V19 PolarHBondContact O-N 3.37Å; V19-A21 PolarHBondContact O-N 3.29Å; V19-S51 VanDerWaalsContact CB-OG 3.23Å; V19-S51 WeakPolarHBondContact CB-OG 3.49Å; V19-S51 VanDerWaalsContact CG1-OG 3.25Å; V19-S51 WeakPolarHBondContact CG1-OG 3.39Å; V19-S51 PolarHBondContact O-OG 2.9Å | ||
| 20 | Q | 64.1 | Low | 70.5 | Confident | 176 Ų | 176 | 84.5 Ų | 84.5 | 82% | 0.822 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 136.2 | -166.1 | -156 | 166 | -13 | 0 | 0 | 107.7 | G18 L22 | G18-Q20 VanDerWaalsContact C-N 3.29Å; G18-Q20 PolarHBondContact O-N 2.61Å; Q20-L22 PolarHBondContact O-N 3.43Å; Q20-L22 VanDerWaalsContact O-N 3.14Å |
| 21 | A | 81.1 | Confident | 72.7 | Confident | 53 Ų | 53 | 83.3 Ų | 83.3 | 44% | 0.438 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 118.2 | 176 | 0 | 0 | 0 | 0 | 0 | 108.4 | V19 | V19-A21 PolarHBondContact O-N 3.29Š|
| 22 | L | 93.4 | Very high | 75 | Confident | 22 Ų | 22 | 81.4 Ų | 81.4 | 12% | 0.115 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 134.6 | -178.4 | -172.9 | 68.8 | 0 | 0 | 0 | 109.3 | Q20 C49 C55 | Q20-L22 PolarHBondContact O-N 3.43Å; Q20-L22 VanDerWaalsContact O-N 3.14Å; L22-C49 WeakPolarHBondContact O-CB 3.01Å; L22-C49 PolarHBondContact O-N 2.72Å; L22-C55 VanDerWaalsContact CD2-SG 3.5Å |
| 23 | L | 96.4 | Very high | 77.3 | Confident | 60 Ų | 60 | 76.8 Ų | 76.8 | 31% | 0.314 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 130.9 | 170.6 | -61 | 175.9 | 0 | 0 | 0 | 109.6 | T47 D108 F109 | L23-T47 CarbonylContact C-O 3.56Å; L23-T47 WeakPolarHBondContact CA-O 3.5Å; L23-D108 HydrophobicContact CB-CB 4.06Å; L23-D108 PolarHBondContact N-OD1 2.89Å; L23-D108 CarbonylContact O-C 3.3Å; L23-D108 WeakPolarHBondContact O-CA 3.42Å; L23-F109 HydrophobicContact CB-CD1 4.3Å; L23-F109 HydrophobicContact CB-CE1 3.64Å; L23-F109 HydrophobicContact CB-CE2 4.05Å; L23-F109 HydrophobicContact CB-CZ 3.51Å; L23-F109 HydrophobicContact CD1-CE2 4.11Å; L23-F109 HydrophobicContact CD1-CZ 3.77Å; L23-F109 HydrophobicContact CG-CZ 4.24Å; L23-F109 PolarHBondContact O-N 2.72Å |
| 24 | C | 97.4 | Very high | 79.6 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 158.3 | 179.8 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | N46 T47 C49 C55 | C24-N46 CarbonylContact O-C 3.59Å; C24-N46 WeakPolarHBondContact O-CA 3.34Å; C24-T47 HydrophobicContact CB-CG2 4.2Å; C24-T47 PolarHBondContact N-O 2.84Å; C24-T47 PolarHBondContact O-N 3.35Å; C24-C49 PolarHBondContact SG-SG 3.39Å; C24-C55 VanDerWaalsContact CA-SG 3.51Å; C24-C55 HydrophobicContact CB-CB 3.71Å; C24-C55 WeakPolarHBondContact CB-SG 3.44Å; C24-C55 WeakPolarHBondContact SG-CA 3.23Å; C24-C55 WeakPolarHBondContact SG-CB 3.25Å; C24-C55 CovalentContact SG-SG 2.02Å; C24-C55 PolarHBondContact SG-SG 3.45Å |
| 25 | Q | 97.6 | Very high | 82 | Confident | 26 Ų | 26 | 71 Ų | 71 | 12% | 0.121 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 140.7 | 164.3 | -63 | -170.8 | -10.1 | 0 | 0 | 109.8 | P44 K45 K74 G75 F109 N111 | Q25-P44 HydrophobicContact CB-CB 3.95Å; Q25-P44 HydrophobicContact CB-CG 4.08Å; Q25-P44 HydrophobicContact CG-CB 4.4Å; Q25-P44 HydrophobicContact CG-CG 4Å; Q25-K45 CarbonylContact C-O 3.57Å; Q25-K45 WeakPolarHBondContact CA-O 3.37Å; Q25-K74 HydrophobicContact CB-CD 4.47Å; Q25-G75 PolarHBondContact O-N 3.4Å; Q25-F109 HydrophobicContact CG-CB 4.42Å; Q25-F109 HydrophobicContact CG-CD1 4.28Å; Q25-N111 WeakPolarHBondContact CB-OD1 3.42Å; Q25-N111 VanDerWaalsContact CD-O 3.29Å; Q25-N111 PolarHBondContact N-OD1 2.03Å; Q25-N111 PolarHBondContact O-ND2 3.5Å; Q25-N111 PolarHBondContact OE1-O 2.78Å |
| 26 | F | 96.7 | Very high | 84.1 | Confident | 99 Ų | 99 | 70.9 Ų | 70.9 | 43% | 0.434 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 141.3 | -177.4 | 176.6 | -98.7 | 0 | 0 | 0 | 110.8 | K45 T47 K74 | F26-K45 PolarHBondContact N-O 3.14Å; F26-K45 PolarHBondContact O-N 3.13Å; F26-T47 HydrophobicContact CB-CG2 3.78Å; F26-T47 HydrophobicContact CG-CG2 4.44Å; F26-K74 WeakPolarHBondContact CA-O 3.46Å; F26-K74 WeakPolarHBondContact CD2-O 3.1Å |
| 27 | G | 96 | Very high | 86.4 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 18% | 0.175 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.3 | 161.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K74 | G27-K74 PolarHBondContact N-O 2.87Å; G27-K74 PolarHBondContact O-N 2.94Å |
| 28 | T | 96.7 | Very high | 88.6 | Confident | 65 Ų | 65 | 61.1 Ų | 61.1 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.4 | 176.3 | 53.6 | 0 | 0 | 0 | 0 | 109.3 | L72 G168 I170 | T28-L72 CarbonylContact C-O 3.54Å; T28-L72 WeakPolarHBondContact CA-O 3.4Å; T28-G168 VanDerWaalsContact CG2-O 3.3Å; T28-G168 WeakPolarHBondContact CG2-O 3.4Å; T28-I170 HydrophobicContact CG2-CD1 3.95Å |
| 29 | V | 95.2 | Very high | 90.8 | Very high | 48 Ų | 48 | 61 Ų | 61 | 29% | 0.291 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130.8 | 170 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | L70 V71 L72 | V29-L70 HydrophobicContact CB-CD2 4.27Å; V29-L70 HydrophobicContact CG1-CD2 3.98Å; V29-V71 CarbonylContact O-C 3.6Å; V29-V71 WeakPolarHBondContact O-CA 3Å; V29-L72 HydrophobicContact CB-CB 3.88Å; V29-L72 HydrophobicContact CB-CD2 4.25Å; V29-L72 HydrophobicContact CG2-CB 4.43Å; V29-L72 HydrophobicContact CG2-CD2 3.88Å; V29-L72 PolarHBondContact N-O 3.47Å; V29-L72 PolarHBondContact O-N 2.02Å |
| 30 | Q | 93.9 | Very high | 92.6 | Very high | 42 Ų | 42 | 60.3 Ų | 60.3 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 117.3 | 169.7 | -172.5 | 176.7 | -0.8 | 0 | 0 | 109.4 | L70 V71 M139 S172 | Q30-L70 WeakPolarHBondContact CA-O 3.44Å; Q30-V71 HydrophobicContact CG-CG2 4.32Å; Q30-M139 HydrophobicContact CB-SD 4.46Å; Q30-M139 HydrophobicContact CG-SD 3.65Å; Q30-S172 PolarHBondContact NE2-OG 3.26Å; Q30-S172 PolarHBondContact OE1-OG 2.86Å |
| 31 | H | 94.3 | Very high | 94.1 | Very high | 80 Ų | 80 | 59.9 Ų | 59.9 | 37% | 0.37 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 150.5 | -176.6 | -163.1 | -84.4 | 0 | 0 | 0 | 111.3 | W33 L70 | H31-W33 HydrophobicContact CB-CZ2 4.19Å; H31-W33 AromaticContact CE1-CE3 3.94Å; H31-W33 AromaticContact CE1-CH2 3.96Å; H31-W33 AromaticContact CE1-CZ3 3.9Å; H31-W33 AromaticContact CG-CE2 3.7Å; H31-W33 AromaticContact CG-CZ2 3.78Å; H31-W33 AromaticContact CG-NE1 3.83Å; H31-W33 AromaticContact ND1-CD1 3.94Å; H31-W33 AromaticContact ND1-CD2 3.39Å; H31-W33 AromaticContact ND1-CE2 3.23Å; H31-W33 AromaticContact ND1-CE3 3.77Å; H31-W33 AromaticContact ND1-CG 3.88Å; H31-W33 AromaticContact ND1-CH2 3.92Å; H31-W33 AromaticContact ND1-CZ2 3.54Å; H31-W33 AromaticContact ND1-NE1 3.59Å; H31-L70 PolarHBondContact N-O 2.83Å; H31-L70 VanDerWaalsContact N-O 3.13Å; H31-L70 PolarHBondContact O-N 2.02Å |
| 32 | V | 94.6 | Very high | 94.7 | Very high | 29 Ų | 29 | 58.9 Ų | 58.9 | 18% | 0.176 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.6 | 171.5 | -179.2 | 0 | 0 | 0 | 0 | 109 | Q67 V68 L137 L174 | V32-Q67 HydrophobicContact CG1-CB 4.16Å; V32-V68 CarbonylContact C-O 3.46Å; V32-V68 WeakPolarHBondContact CA-O 3.5Å; V32-L137 HydrophobicContact CG1-CB 3.79Å; V32-L137 HydrophobicContact CG2-CB 4.07Å; V32-L174 HydrophobicContact CG2-CD1 4.08Å |
| 33 | W | 94.1 | Very high | 94.8 | Very high | 75 Ų | 75 | 64.5 Ų | 64.5 | 28% | 0.284 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 169.6 | 178.8 | -61.6 | 103.3 | 0 | 0 | 0 | 110.8 | H31 D37 Q67 V68 | H31-W33 HydrophobicContact CB-CZ2 4.19Å; H31-W33 AromaticContact CE1-CE3 3.94Å; H31-W33 AromaticContact CE1-CH2 3.96Å; H31-W33 AromaticContact CE1-CZ3 3.9Å; H31-W33 AromaticContact CG-CE2 3.7Å; H31-W33 AromaticContact CG-CZ2 3.78Å; H31-W33 AromaticContact CG-NE1 3.83Å; H31-W33 AromaticContact ND1-CD1 3.94Å; H31-W33 AromaticContact ND1-CD2 3.39Å; H31-W33 AromaticContact ND1-CE2 3.23Å; H31-W33 AromaticContact ND1-CE3 3.77Å; H31-W33 AromaticContact ND1-CG 3.88Å; H31-W33 AromaticContact ND1-CH2 3.92Å; H31-W33 AromaticContact ND1-CZ2 3.54Å; H31-W33 AromaticContact ND1-NE1 3.59Å; W33-D37 HydrophobicContact CB-CB 4.44Å; W33-Q67 WeakPolarHBondContact O-CA 3.45Å; W33-V68 HydrophobicContact CB-CG1 4.04Å; W33-V68 PolarHBondContact N-O 2.03Å; W33-V68 PolarHBondContact O-N 2.83Å |
| 34 | K | 93 | Very high | 94.7 | Very high | 135 Ų | 135 | 62.9 Ų | 62.9 | 59% | 0.587 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 145 | 161.8 | -62.2 | -179.8 | -178.8 | 178.9 | 0 | 108.9 | S36 D37 P66 | K34-S36 WeakPolarHBondContact CB-OG 3.38Å; K34-S36 PolarHBondContact O-N 3.38Å; K34-D37 PolarHBondContact N-OD2 3.14Å; K34-D37 VanDerWaalsContact O-CB 3.28Å; K34-D37 WeakPolarHBondContact O-CB 3.42Å; K34-D37 PolarHBondContact O-N 3.42Å; K34-P66 CarbonylContact C-O 3.59Å; K34-P66 WeakPolarHBondContact CA-O 3.05Å |
| 35 | V | 90.8 | Very high | 94.7 | Very high | 32 Ų | 32 | 70.5 Ų | 70.5 | 19% | 0.194 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -55.7 | -36.1 | 173.3 | 171 | 0 | 0 | 0 | 0 | 110.7 | D37 L38 P66 V68 W120 | V35-D37 PolarHBondContact O-N 2.75Å; V35-D37 VanDerWaalsContact O-N 3.13Å; V35-L38 PolarHBondContact O-N 2.72Å; V35-P66 PolarHBondContact N-O 2.89Å; V35-V68 HydrophobicContact CG2-CB 4.1Å; V35-V68 HydrophobicContact CG2-CG1 4.33Å; V35-W120 HydrophobicContact CG1-CH2 3.57Å; V35-W120 HydrophobicContact CG1-CZ3 3.91Å; V35-W120 WeakPolarHBondContact O-CH2 3.21Å |
| 36 | S | 91.3 | Very high | 94.6 | Very high | 98 Ų | 98 | 74.4 Ų | 74.4 | 69% | 0.685 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -63.3 | -15.2 | 175.2 | 60.5 | 0 | 0 | 0 | 0 | 115 | K34 | K34-S36 WeakPolarHBondContact CB-OG 3.38Å; K34-S36 PolarHBondContact O-N 3.38Å |
| 37 | D | 93.8 | Very high | 94.6 | Very high | 54 Ų | 54 | 71.8 Ų | 71.8 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -90 | -6.1 | -179.2 | -60.8 | -22.2 | 0 | 0 | 0 | 112.7 | W33 K34 V35 R40 | W33-D37 HydrophobicContact CB-CB 4.44Å; K34-D37 PolarHBondContact N-OD2 3.14Å; K34-D37 VanDerWaalsContact O-CB 3.28Å; K34-D37 WeakPolarHBondContact O-CB 3.42Å; K34-D37 PolarHBondContact O-N 3.42Å; V35-D37 PolarHBondContact O-N 2.75Å; V35-D37 VanDerWaalsContact O-N 3.13Å; D37-R40 WeakPolarHBondContact O-CD 3.41Å; D37-R40 IonicContact OD2-NH2 3.59Å |
| 38 | L | 92.9 | Very high | 94.6 | Very high | 14 Ų | 14 | 74.3 Ų | 74.3 | 7% | 0.073 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 149.1 | 176.6 | -67.2 | -171.9 | 0 | 0 | 0 | 111.7 | V35 R40 L61 V68 L70 W120 | V35-L38 PolarHBondContact O-N 2.72Å; L38-R40 HydrophobicContact CD2-CB 4.33Å; L38-R40 HydrophobicContact CD2-CG 3.9Å; L38-L61 HydrophobicContact CD1-CD1 3.93Å; L38-L61 HydrophobicContact CD1-CD2 4.36Å; L38-V68 HydrophobicContact CD1-CB 4.3Å; L38-V68 HydrophobicContact CD1-CG1 3.69Å; L38-V68 HydrophobicContact CD1-CG2 3.97Å; L38-V68 HydrophobicContact CD2-CG1 4.36Å; L38-V68 HydrophobicContact CG-CG1 3.91Å; L38-L70 HydrophobicContact CD2-CD1 4.37Å; L38-W120 HydrophobicContact CB-CD2 3.75Å; L38-W120 HydrophobicContact CB-CE3 3.61Å; L38-W120 HydrophobicContact CB-CG 4.44Å; L38-W120 HydrophobicContact CB-CH2 4.04Å; L38-W120 HydrophobicContact CB-CZ2 4.15Å; L38-W120 HydrophobicContact CB-CZ3 3.78Å; L38-W120 HydrophobicContact CD1-CD2 4.4Å; L38-W120 HydrophobicContact CD1-CE3 3.5Å; L38-W120 HydrophobicContact CD1-CZ3 3.64Å; L38-W120 HydrophobicContact CG-CE3 4.2Å; L38-W120 HydrophobicContact CG-CZ3 4.26Å |
| 39 | P | 95.3 | Very high | 94.5 | Very high | 61 Ų | 61 | 71.3 Ų | 71.3 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | S | Bend | cis | -78.6 | 148.9 | 0.6 | 33.1 | -35.8 | 0 | 0 | 0 | 113.2 | S116 L117 W120 | P39-S116 VanDerWaalsContact CA-OG 3.22Å; P39-S116 WeakPolarHBondContact CA-OG 3.36Å; P39-S116 WeakPolarHBondContact CB-OG 3.32Å; P39-L117 HydrophobicContact CB-CD1 4.39Å; P39-L117 HydrophobicContact CG-CD1 4.13Å; P39-W120 HydrophobicContact CB-CB 4.41Å; P39-W120 HydrophobicContact CB-CG 4.39Å |
| 40 | R | 95.1 | Very high | 94.4 | Very high | 80 Ų | 80 | 75.1 Ų | 75.1 | 30% | 0.302 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 147 | 174.4 | -74.2 | -62.7 | -158.7 | -157.4 | 3.6 | 111.2 | D37 L38 W42 L70 N115 S116 | D37-R40 WeakPolarHBondContact O-CD 3.41Å; D37-R40 IonicContact OD2-NH2 3.59Å; L38-R40 HydrophobicContact CD2-CB 4.33Å; L38-R40 HydrophobicContact CD2-CG 3.9Å; R40-W42 WeakPolarHBondContact O-CZ3 3.43Å; R40-L70 HydrophobicContact CB-CD1 4.34Å; R40-N115 CarbonylContact O-C 3.54Å; R40-N115 WeakPolarHBondContact O-CA 3.35Å; R40-N115 VanDerWaalsContact O-CB 3.28Å; R40-N115 WeakPolarHBondContact O-CB 3.42Å; R40-S116 PolarHBondContact N-OG 2.91Å; R40-S116 PolarHBondContact O-N 2.62Å |
| 41 | Q | 95.6 | Very high | 94.2 | Very high | 168 Ų | 168 | 77 Ų | 77 | 79% | 0.785 | 41% | 0.409 | S | S | * | . | B | Isolated β-bridge | trans | -110.4 | 154.4 | 173.2 | -60.3 | -172.9 | -21.2 | 0 | 0 | 110.3 | V114 N115 | Q41-V114 WeakPolarHBondContact CA-O 2.97Å; Q41-N115 HydrophobicContact CB-CB 4.46Å; Q41-N115 HydrophobicContact CG-CB 3.94Å |
| 42 | W | 94.9 | Very high | 93.9 | Very high | 32 Ų | 32 | 75.6 Ų | 75.6 | 12% | 0.121 | 42% | 0.417 | C | S | . | . | trans | -146.1 | 156.7 | 176.5 | 50.3 | 79.5 | 0 | 0 | 0 | 112 | R40 L59 L70 L72 L113 V114 N115 S116 | R40-W42 WeakPolarHBondContact O-CZ3 3.43Å; W42-L59 HydrophobicContact CH2-CD1 3.77Å; W42-L59 HydrophobicContact CH2-CD2 3.97Å; W42-L59 HydrophobicContact CH2-CG 4.48Å; W42-L59 HydrophobicContact CZ2-CD1 4.45Å; W42-L59 HydrophobicContact CZ3-CD1 4.44Å; W42-L70 HydrophobicContact CZ3-CD1 4.01Å; W42-L70 HydrophobicContact CZ3-CD2 4.44Å; W42-L72 HydrophobicContact CD2-CD2 3.77Å; W42-L72 VanDerWaalsContact CE2-CD2 3.48Å; W42-L72 HydrophobicContact CG-CD2 3.87Å; W42-L72 HydrophobicContact CH2-CD1 4.31Å; W42-L72 HydrophobicContact CZ2-CD1 3.62Å; W42-L72 HydrophobicContact CZ2-CD2 4Å; W42-L72 HydrophobicContact CZ2-CG 4.41Å; W42-L113 HydrophobicContact CZ2-CD2 4.13Å; W42-L113 HydrophobicContact CZ2-CG 4.02Å; W42-L113 PolarHBondContact NE1-O 3.22Å; W42-V114 VanDerWaalsContact CE2-C 3.49Å; W42-V114 PolarHBondContact N-O 2.95Å; W42-N115 VanDerWaalsContact CH2-O 3.28Å; W42-N115 WeakPolarHBondContact CH2-O 3.29Å; W42-S116 VanDerWaalsContact CH2-N 3.3Å | ||
| 43 | T | 95.4 | Very high | 94 | Very high | 139 Ų | 139 | 75.9 Ų | 75.9 | 85% | 0.853 | 42% | 0.417 | S | S | * | . | trans | -110.6 | 107.1 | 176.5 | -52.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 44 | P | 94.9 | Very high | 94.1 | Very high | 27 Ų | 27 | 72.3 Ų | 72.3 | 18% | 0.175 | 40% | 0.403 | C | S | . | . | trans | -75.1 | 158.5 | 179.5 | 28.6 | -28.5 | 0 | 0 | 0 | 111.5 | Q25 K74 | Q25-P44 HydrophobicContact CB-CB 3.95Å; Q25-P44 HydrophobicContact CB-CG 4.08Å; Q25-P44 HydrophobicContact CG-CB 4.4Å; Q25-P44 HydrophobicContact CG-CG 4Å; P44-K74 HydrophobicContact CB-CD 3.89Å | ||
| 45 | K | 96.6 | Very high | 94.3 | Very high | 160 Ų | 160 | 65.9 Ų | 65.9 | 70% | 0.696 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 175.2 | 165.9 | -62.8 | -177.3 | -178.5 | 177.8 | 0 | 109.1 | Q25 F26 | Q25-K45 CarbonylContact C-O 3.57Å; Q25-K45 WeakPolarHBondContact CA-O 3.37Å; F26-K45 PolarHBondContact N-O 3.14Å; F26-K45 PolarHBondContact O-N 3.13Å |
| 46 | N | 96.5 | Very high | 94.6 | Very high | 107 Ų | 107 | 65 Ų | 65 | 57% | 0.572 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 149.8 | 175.8 | -65.2 | -4.2 | 0 | 0 | 0 | 109.9 | C24 F109 | C24-N46 CarbonylContact O-C 3.59Å; C24-N46 WeakPolarHBondContact O-CA 3.34Å; N46-F109 HydrophobicContact CB-CE1 3.79Å; N46-F109 HydrophobicContact CB-CZ 4.42Å; N46-F109 VanDerWaalsContact CG-CE1 3.4Å; N46-F109 WeakPolarHBondContact ND2-CE1 3.4Å |
| 47 | T | 95.9 | Very high | 95 | Very high | 45 Ų | 45 | 60.3 Ų | 60.3 | 28% | 0.276 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 154.9 | 172.7 | -166.7 | 0 | 0 | 0 | 0 | 110.1 | L23 C24 F26 | L23-T47 CarbonylContact C-O 3.56Å; L23-T47 WeakPolarHBondContact CA-O 3.5Å; C24-T47 HydrophobicContact CB-CG2 4.2Å; C24-T47 PolarHBondContact N-O 2.84Å; C24-T47 PolarHBondContact O-N 3.35Å; F26-T47 HydrophobicContact CB-CG2 3.78Å; F26-T47 HydrophobicContact CG-CG2 4.44Å |
| 48 | S | 96.4 | Very high | 95.2 | Very high | 69 Ų | 69 | 57.8 Ų | 57.8 | 48% | 0.483 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 139 | 164.9 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | ||
| 49 | C | 94.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.014 | 32% | 0.319 | C | S | . | . | trans | -104.6 | 145.5 | 179.6 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | L22 C24 L53 C76 | L22-C49 WeakPolarHBondContact O-CB 3.01Å; L22-C49 PolarHBondContact O-N 2.72Å; C24-C49 PolarHBondContact SG-SG 3.39Å; C49-L53 HydrophobicContact CB-CB 4.08Å; C49-C76 WeakPolarHBondContact CA-SG 3.05Å; C49-C76 HydrophobicContact CB-CB 3.77Å; C49-C76 WeakPolarHBondContact CB-SG 3.31Å; C49-C76 WeakPolarHBondContact SG-CB 3.37Å; C49-C76 CovalentContact SG-SG 2.03Å; C49-C76 PolarHBondContact SG-SG 3.35Å | ||
| 50 | D | 93.2 | Very high | 95.5 | Very high | 128 Ų | 128 | 54.2 Ų | 54.2 | 68% | 0.684 | 30% | 0.3 | S | S | * | . | trans | -60.3 | 156.3 | 173.7 | -67.6 | -30.1 | 0 | 0 | 0 | 111.4 | G52 L53 | D50-G52 PolarHBondContact O-N 3.06Å; D50-L53 HydrophobicContact CB-CD1 3.9Å; D50-L53 HydrophobicContact CB-CG 4.26Å; D50-L53 WeakPolarHBondContact O-CB 3.32Å; D50-L53 PolarHBondContact O-N 2.96Å; D50-L53 VanDerWaalsContact O-N 3.11Å | ||
| 51 | S | 89.3 | Confident | 95.6 | Very high | 81 Ų | 81 | 50.4 Ų | 50.4 | 57% | 0.566 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 126.8 | -177.4 | -160 | 0 | 0 | 0 | 0 | 111.7 | V19 | V19-S51 VanDerWaalsContact CB-OG 3.23Å; V19-S51 WeakPolarHBondContact CB-OG 3.49Å; V19-S51 VanDerWaalsContact CG1-OG 3.25Å; V19-S51 WeakPolarHBondContact CG1-OG 3.39Å; V19-S51 PolarHBondContact O-OG 2.9Å |
| 52 | G | 87.9 | Confident | 95.5 | Very high | 52 Ų | 52 | 42.4 Ų | 42.4 | 54% | 0.536 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -12.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | D50 R105 | D50-G52 PolarHBondContact O-N 3.06Å; G52-R105 PolarHBondContact O-NE 3.11Å |
| 53 | L | 95.3 | Very high | 95.5 | Very high | 35 Ų | 35 | 42.6 Ų | 42.6 | 18% | 0.183 | 25% | 0.251 | C | S | . | . | trans | -76.7 | 150.6 | 173.8 | -58.5 | -174.6 | 0 | 0 | 0 | 111.7 | C49 D50 C76 T77 E78 | C49-L53 HydrophobicContact CB-CB 4.08Å; D50-L53 HydrophobicContact CB-CD1 3.9Å; D50-L53 HydrophobicContact CB-CG 4.26Å; D50-L53 WeakPolarHBondContact O-CB 3.32Å; D50-L53 PolarHBondContact O-N 2.96Å; D50-L53 VanDerWaalsContact O-N 3.11Å; L53-C76 HydrophobicContact CB-CB 4.3Å; L53-C76 HydrophobicContact CD1-CB 3.84Å; L53-T77 CarbonylContact C-O 3.58Å; L53-T77 WeakPolarHBondContact CA-O 3.47Å; L53-E78 HydrophobicContact CD2-CB 4.29Å; L53-E78 HydrophobicContact CD2-CG 3.34Å | ||
| 54 | G | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 173 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C76 T77 C104 | G54-C76 CarbonylContact O-C 3.58Å; G54-C76 VanDerWaalsContact O-CA 3.26Å; G54-C76 WeakPolarHBondContact O-CA 3.5Å; G54-T77 PolarHBondContact N-O 3.26Å; G54-T77 PolarHBondContact O-N 2.89Å; G54-C104 CarbonylContact C-O 3.59Å; G54-C104 WeakPolarHBondContact CA-O 3.03Å |
| 55 | C | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 144.1 | 170.4 | -50.9 | 0 | 0 | 0 | 0 | 110.6 | L22 C24 V103 C104 N111 | L22-C55 VanDerWaalsContact CD2-SG 3.5Å; C24-C55 VanDerWaalsContact CA-SG 3.51Å; C24-C55 HydrophobicContact CB-CB 3.71Å; C24-C55 WeakPolarHBondContact CB-SG 3.44Å; C24-C55 WeakPolarHBondContact SG-CA 3.23Å; C24-C55 WeakPolarHBondContact SG-CB 3.25Å; C24-C55 CovalentContact SG-SG 2.02Å; C24-C55 PolarHBondContact SG-SG 3.45Å; C55-V103 WeakPolarHBondContact O-CA 2.98Å; C55-C104 PolarHBondContact N-O 3.03Å; C55-C104 PolarHBondContact O-N 2.66Å; C55-N111 HydrophobicContact CB-CB 3.62Å; C55-N111 VanDerWaalsContact CB-CG 3.49Å; C55-N111 WeakPolarHBondContact CB-OD1 3.4Å |
| 56 | Q | 98 | Very high | 94.6 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 6% | 0.056 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 140 | 178.9 | -178.2 | 163.2 | -1.6 | 0 | 0 | 112.2 | T58 K74 G75 T77 F102 V103 N111 P196 | Q56-T58 PolarHBondContact NE2-OG1 2.86Å; Q56-K74 WeakPolarHBondContact O-CA 3.15Å; Q56-G75 PolarHBondContact N-O 3.47Å; Q56-G75 PolarHBondContact O-N 3.34Å; Q56-T77 HydrophobicContact CB-CG2 3.71Å; Q56-T77 PolarHBondContact OE1-OG1 3.3Å; Q56-F102 WeakPolarHBondContact CA-O 3.26Å; Q56-V103 HydrophobicContact CB-CG2 4.31Å; Q56-V103 HydrophobicContact CG-CG2 3.97Å; Q56-N111 PolarHBondContact O-ND2 2.81Å; Q56-P196 VanDerWaalsContact NE2-CD 3.27Å |
| 57 | D | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.8 | 163.9 | -78.7 | -27.5 | 0 | 0 | 0 | 110.3 | K74 Y100 T101 F102 N111 N112 L113 | D57-K74 WeakPolarHBondContact OD1-CG 3.37Å; D57-K74 IonicContact OD1-NZ 2.78Å; D57-K74 PolarHBondContact OD1-NZ 3.3Å; D57-K74 IonicContact OD2-NZ 3.61Å; D57-Y100 HydrophobicContact CB-CE1 4Å; D57-T101 WeakPolarHBondContact O-CA 3.02Å; D57-F102 HydrophobicContact CB-CB 4.32Å; D57-F102 PolarHBondContact N-O 3.44Å; D57-F102 PolarHBondContact O-N 3.21Å; D57-N111 VanDerWaalsContact OD2-CA 3.31Å; D57-N111 WeakPolarHBondContact OD2-CA 3.34Å; D57-N112 PolarHBondContact OD2-N 2.99Å; D57-L113 HydrophobicContact CB-CB 4.14Å; D57-L113 HydrophobicContact CB-CD2 4.44Å; D57-L113 WeakPolarHBondContact OD2-CB 3.41Å; D57-L113 PolarHBondContact OD2-N 2.76Å |
| 58 | T | 98.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 122.7 | 172.4 | -63.1 | 0 | 0 | 0 | 0 | 109.4 | Q56 M60 L72 S73 Y100 T101 I194 G195 P196 | Q56-T58 PolarHBondContact NE2-OG1 2.86Å; T58-M60 HydrophobicContact CG2-CE 3.78Å; T58-L72 CarbonylContact O-C 3.54Å; T58-L72 WeakPolarHBondContact O-CA 3.4Å; T58-S73 PolarHBondContact N-O 3.3Å; T58-S73 PolarHBondContact O-N 3.16Å; T58-Y100 WeakPolarHBondContact CA-O 3.41Å; T58-T101 HydrophobicContact CG2-CG2 4.32Å; T58-I194 HydrophobicContact CG2-CG2 4.04Å; T58-I194 WeakPolarHBondContact CG2-O 3.13Å; T58-G195 WeakPolarHBondContact OG1-CA 3.01Å; T58-P196 VanDerWaalsContact OG1-CD 3.23Å; T58-P196 WeakPolarHBondContact OG1-CD 3.28Å |
| 59 | L | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140.2 | 177.5 | 174.5 | 72.2 | 0 | 0 | 0 | 108.9 | W42 L70 V71 L72 S99 Y100 L113 L119 | W42-L59 HydrophobicContact CH2-CD1 3.77Å; W42-L59 HydrophobicContact CH2-CD2 3.97Å; W42-L59 HydrophobicContact CH2-CG 4.48Å; W42-L59 HydrophobicContact CZ2-CD1 4.45Å; W42-L59 HydrophobicContact CZ3-CD1 4.44Å; L59-L70 HydrophobicContact CD1-CD1 4.25Å; L59-L70 HydrophobicContact CD1-CD2 3.85Å; L59-L70 HydrophobicContact CD1-CG 3.82Å; L59-V71 CarbonylContact C-O 3.58Å; L59-V71 VanDerWaalsContact CA-O 3.29Å; L59-V71 WeakPolarHBondContact CA-O 3.37Å; L59-L72 HydrophobicContact CB-CD1 4.21Å; L59-L72 HydrophobicContact CD1-CB 4.34Å; L59-L72 HydrophobicContact CD1-CD1 4.16Å; L59-S99 CarbonylContact O-C 3.51Å; L59-S99 WeakPolarHBondContact O-CA 3.49Å; L59-S99 WeakPolarHBondContact O-CB 3.35Å; L59-Y100 PolarHBondContact N-O 3.01Å; L59-Y100 PolarHBondContact O-N 3.15Å; L59-L113 HydrophobicContact CB-CD2 3.78Å; L59-L113 HydrophobicContact CD2-CD2 4.09Å; L59-L119 HydrophobicContact CB-CD1 4.2Å; L59-L119 HydrophobicContact CD2-CB 4.44Å; L59-L119 HydrophobicContact CD2-CD1 3.66Å; L59-L119 HydrophobicContact CD2-CG 3.91Å; L59-L119 HydrophobicContact CG-CD1 3.66Å; L59-L119 HydrophobicContact CG-CG 4.45Å |
| 60 | M | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 141.6 | 174.4 | -46.5 | 172.8 | -158.7 | 0 | 0 | 109.6 | T58 L70 V71 L97 I98 I194 V197 M199 | T58-M60 HydrophobicContact CG2-CE 3.78Å; M60-L70 WeakPolarHBondContact O-CA 3.49Å; M60-V71 HydrophobicContact CB-CB 4.21Å; M60-V71 PolarHBondContact N-O 3.46Å; M60-V71 PolarHBondContact O-N 3.03Å; M60-V71 HydrophobicContact SD-CB 4.47Å; M60-L97 HydrophobicContact CB-CD1 4.37Å; M60-I98 WeakPolarHBondContact CA-O 3.04Å; M60-I194 HydrophobicContact CE-CB 3.48Å; M60-I194 VanDerWaalsContact CE-CB 3.48Å; M60-I194 HydrophobicContact CE-CD1 4.35Å; M60-I194 HydrophobicContact CE-CG1 4.43Å; M60-I194 HydrophobicContact CE-CG2 3.67Å; M60-I194 WeakPolarHBondContact CE-O 3.02Å; M60-I194 HydrophobicContact CG-CD1 4.28Å; M60-I194 HydrophobicContact CG-CG2 4.11Å; M60-I194 HydrophobicContact SD-CB 4.14Å; M60-I194 HydrophobicContact SD-CD1 3.84Å; M60-I194 HydrophobicContact SD-CG2 4.27Å; M60-V197 HydrophobicContact CE-CB 3.6Å; M60-V197 HydrophobicContact CE-CG1 3.97Å; M60-V197 HydrophobicContact CE-CG2 4Å; M60-M199 HydrophobicContact CE-SD 4.33Å; M60-M199 HydrophobicContact SD-CE 4.24Å; M60-M199 HydrophobicContact SD-SD 3.66Å; M60-M199 VanDerWaalsContact SD-SD 3.66Å |
| 61 | L | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.9 | 166.9 | -59.8 | -179 | 0 | 0 | 0 | 108.7 | L38 V68 S69 L70 L97 I98 L119 | L38-L61 HydrophobicContact CD1-CD1 3.93Å; L38-L61 HydrophobicContact CD1-CD2 4.36Å; L61-V68 HydrophobicContact CB-CG2 3.99Å; L61-V68 HydrophobicContact CD2-CG2 3.95Å; L61-V68 HydrophobicContact CG-CG2 4.41Å; L61-S69 WeakPolarHBondContact CA-O 3.41Å; L61-L70 HydrophobicContact CD2-CB 3.91Å; L61-L70 HydrophobicContact CD2-CD1 3.91Å; L61-L70 HydrophobicContact CD2-CG 3.8Å; L61-L97 WeakPolarHBondContact O-CA 3.31Å; L61-I98 HydrophobicContact CB-CG2 3.94Å; L61-I98 PolarHBondContact N-O 3.01Å; L61-I98 PolarHBondContact O-N 2.9Å; L61-L119 HydrophobicContact CD1-CB 3.64Å; L61-L119 HydrophobicContact CG-CB 4.1Å; L61-L119 HydrophobicContact CG-CD1 4.16Å |
| 62 | I | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 115.8 | 169.7 | -60.1 | 155.9 | 0 | 0 | 0 | 106.8 | V68 S69 S96 L97 L137 L163 L174 M199 | I62-V68 CarbonylContact O-C 3.51Å; I62-V68 WeakPolarHBondContact O-CA 3.01Å; I62-S69 PolarHBondContact N-O 3.21Å; I62-S69 PolarHBondContact O-N 2.86Å; I62-S96 WeakPolarHBondContact CA-O 3.38Å; I62-L97 HydrophobicContact CD1-CD1 4.36Å; I62-L97 HydrophobicContact CG1-CD1 3.52Å; I62-L97 HydrophobicContact CG1-CG 4.49Å; I62-L137 HydrophobicContact CG2-CD2 4.13Å; I62-L137 WeakPolarHBondContact O-CD1 2.95Å; I62-L163 HydrophobicContact CD1-CD1 3.76Å; I62-L174 HydrophobicContact CD1-CD2 3.64Å; I62-M199 HydrophobicContact CD1-CE 4.38Å |
| 63 | E | 93.2 | Very high | 95.5 | Very high | 37 Ų | 37 | 13 Ų | 13 | 17% | 0.173 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 139.1 | -179 | -55.4 | -177.9 | 164.9 | 0 | 0 | 110.8 | Q67 V68 L95 S96 | E63-Q67 WeakPolarHBondContact CA-O 3.32Å; E63-V68 HydrophobicContact CG-CB 4.08Å; E63-V68 HydrophobicContact CG-CG2 3.74Å; E63-L95 WeakPolarHBondContact O-CA 3.32Å; E63-L95 WeakPolarHBondContact O-CD2 3.48Å; E63-S96 WeakPolarHBondContact CB-OG 3.08Å; E63-S96 PolarHBondContact N-O 2.67Å; E63-S96 PolarHBondContact O-N 3.14Å |
| 64 | S | 92 | Very high | 95.6 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 107.9 | 169.3 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | Q67 L95 Q177 | S64-Q67 PolarHBondContact N-O 2.9Å; S64-Q67 PolarHBondContact O-N 2.8Å; S64-L95 VanDerWaalsContact CB-CD2 3.43Å; S64-L95 WeakPolarHBondContact OG-CD2 3.44Å; S64-Q177 PolarHBondContact OG-O 2.95Å |
| 65 | G | 88.2 | Confident | 95.7 | Very high | 43 Ų | 43 | 12 Ų | 12 | 44% | 0.443 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | -124.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q67 | G65-Q67 VanDerWaalsContact C-N 3.25Å; G65-Q67 PolarHBondContact O-N 2.84Å |
| 66 | P | 88.6 | Confident | 95.6 | Very high | 68 Ų | 68 | 14.3 Ų | 14.3 | 44% | 0.442 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 0.7 | -179.6 | 34.4 | -35.5 | 0 | 0 | 0 | 113.9 | K34 V35 | K34-P66 CarbonylContact C-O 3.59Å; K34-P66 WeakPolarHBondContact CA-O 3.05Å; V35-P66 PolarHBondContact N-O 2.89Å |
| 67 | Q | 93.1 | Very high | 95.6 | Very high | 64 Ų | 64 | 14.7 Ų | 14.7 | 30% | 0.299 | 10% | 0.096 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 147.5 | -175.5 | -62.7 | -179.8 | -36.8 | 0 | 0 | 111.7 | V32 W33 E63 S64 G65 L137 | V32-Q67 HydrophobicContact CG1-CB 4.16Å; W33-Q67 WeakPolarHBondContact O-CA 3.45Å; E63-Q67 WeakPolarHBondContact CA-O 3.32Å; S64-Q67 PolarHBondContact N-O 2.9Å; S64-Q67 PolarHBondContact O-N 2.8Å; G65-Q67 VanDerWaalsContact C-N 3.25Å; G65-Q67 PolarHBondContact O-N 2.84Å; Q67-L137 HydrophobicContact CB-CB 4.26Å; Q67-L137 HydrophobicContact CB-CD1 3.93Å; Q67-L137 HydrophobicContact CB-CG 4.24Å |
| 68 | V | 94.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 125.7 | 173.3 | 59 | 0 | 0 | 0 | 0 | 110.7 | V32 W33 V35 L38 L61 I62 E63 | V32-V68 CarbonylContact C-O 3.46Å; V32-V68 WeakPolarHBondContact CA-O 3.5Å; W33-V68 HydrophobicContact CB-CG1 4.04Å; W33-V68 PolarHBondContact N-O 2.03Å; W33-V68 PolarHBondContact O-N 2.83Å; V35-V68 HydrophobicContact CG2-CB 4.1Å; V35-V68 HydrophobicContact CG2-CG1 4.33Å; L38-V68 HydrophobicContact CD1-CB 4.3Å; L38-V68 HydrophobicContact CD1-CG1 3.69Å; L38-V68 HydrophobicContact CD1-CG2 3.97Å; L38-V68 HydrophobicContact CD2-CG1 4.36Å; L38-V68 HydrophobicContact CG-CG1 3.91Å; L61-V68 HydrophobicContact CB-CG2 3.99Å; L61-V68 HydrophobicContact CD2-CG2 3.95Å; L61-V68 HydrophobicContact CG-CG2 4.41Å; I62-V68 CarbonylContact O-C 3.51Å; I62-V68 WeakPolarHBondContact O-CA 3.01Å; E63-V68 HydrophobicContact CG-CB 4.08Å; E63-V68 HydrophobicContact CG-CG2 3.74Å |
| 69 | S | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 120.8 | 168.5 | -169.1 | 0 | 0 | 0 | 0 | 108.7 | L61 I62 L174 | L61-S69 WeakPolarHBondContact CA-O 3.41Å; I62-S69 PolarHBondContact N-O 3.21Å; I62-S69 PolarHBondContact O-N 2.86Å; S69-L174 WeakPolarHBondContact OG-CD2 3.28Å |
| 70 | L | 96.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.7 | 174.9 | -174.1 | 154.6 | 0 | 0 | 0 | 108.9 | V29 Q30 H31 L38 R40 W42 L59 M60 L61 L72 | V29-L70 HydrophobicContact CB-CD2 4.27Å; V29-L70 HydrophobicContact CG1-CD2 3.98Å; Q30-L70 WeakPolarHBondContact CA-O 3.44Å; H31-L70 PolarHBondContact N-O 2.83Å; H31-L70 VanDerWaalsContact N-O 3.13Å; H31-L70 PolarHBondContact O-N 2.02Å; L38-L70 HydrophobicContact CD2-CD1 4.37Å; R40-L70 HydrophobicContact CB-CD1 4.34Å; W42-L70 HydrophobicContact CZ3-CD1 4.01Å; W42-L70 HydrophobicContact CZ3-CD2 4.44Å; L59-L70 HydrophobicContact CD1-CD1 4.25Å; L59-L70 HydrophobicContact CD1-CD2 3.85Å; L59-L70 HydrophobicContact CD1-CG 3.82Å; M60-L70 WeakPolarHBondContact O-CA 3.49Å; L61-L70 HydrophobicContact CD2-CB 3.91Å; L61-L70 HydrophobicContact CD2-CD1 3.91Å; L61-L70 HydrophobicContact CD2-CG 3.8Å; L70-L72 HydrophobicContact CD2-CB 4.19Å |
| 71 | V | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 120.1 | 175.9 | -173.5 | 0 | 0 | 0 | 0 | 108.7 | V29 Q30 L59 M60 L165 I170 | V29-V71 CarbonylContact O-C 3.6Å; V29-V71 WeakPolarHBondContact O-CA 3Å; Q30-V71 HydrophobicContact CG-CG2 4.32Å; L59-V71 CarbonylContact C-O 3.58Å; L59-V71 VanDerWaalsContact CA-O 3.29Å; L59-V71 WeakPolarHBondContact CA-O 3.37Å; M60-V71 HydrophobicContact CB-CB 4.21Å; M60-V71 PolarHBondContact N-O 3.46Å; M60-V71 PolarHBondContact O-N 3.03Å; M60-V71 HydrophobicContact SD-CB 4.47Å; V71-L165 HydrophobicContact CB-CD2 4.5Å; V71-L165 HydrophobicContact CG1-CD2 4.13Å; V71-L165 HydrophobicContact CG2-CD2 3.8Å; V71-I170 HydrophobicContact CG1-CD1 4.21Å; V71-I170 HydrophobicContact CG1-CG1 4.12Å; V71-I170 HydrophobicContact CG1-CG2 4.45Å |
| 72 | L | 97.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133 | 178 | 179.9 | 75.5 | 0 | 0 | 0 | 109.3 | T28 V29 W42 T58 L59 L70 K74 L113 | T28-L72 CarbonylContact C-O 3.54Å; T28-L72 WeakPolarHBondContact CA-O 3.4Å; V29-L72 HydrophobicContact CB-CB 3.88Å; V29-L72 HydrophobicContact CB-CD2 4.25Å; V29-L72 HydrophobicContact CG2-CB 4.43Å; V29-L72 HydrophobicContact CG2-CD2 3.88Å; V29-L72 PolarHBondContact N-O 3.47Å; V29-L72 PolarHBondContact O-N 2.02Å; W42-L72 HydrophobicContact CD2-CD2 3.77Å; W42-L72 VanDerWaalsContact CE2-CD2 3.48Å; W42-L72 HydrophobicContact CG-CD2 3.87Å; W42-L72 HydrophobicContact CH2-CD1 4.31Å; W42-L72 HydrophobicContact CZ2-CD1 3.62Å; W42-L72 HydrophobicContact CZ2-CD2 4Å; W42-L72 HydrophobicContact CZ2-CG 4.41Å; T58-L72 CarbonylContact O-C 3.54Å; T58-L72 WeakPolarHBondContact O-CA 3.4Å; L59-L72 HydrophobicContact CB-CD1 4.21Å; L59-L72 HydrophobicContact CD1-CB 4.34Å; L59-L72 HydrophobicContact CD1-CD1 4.16Å; L70-L72 HydrophobicContact CD2-CB 4.19Å; L72-K74 HydrophobicContact CD1-CG 4.2Å; L72-K74 HydrophobicContact CD2-CD 4.17Å; L72-K74 HydrophobicContact CD2-CG 4.35Å; L72-K74 HydrophobicContact CG-CD 4.5Å; L72-K74 HydrophobicContact CG-CG 4.15Å; L72-L113 HydrophobicContact CD1-CD2 4.32Å |
| 73 | S | 97.9 | Very high | 95.3 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 132.1 | 167.5 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | T58 G168 P196 | T58-S73 PolarHBondContact N-O 3.3Å; T58-S73 PolarHBondContact O-N 3.16Å; S73-G168 WeakPolarHBondContact OG-CA 3.32Å; S73-G168 PolarHBondContact OG-O 2.82Å; S73-P196 WeakPolarHBondContact OG-CG 3.49Å |
| 74 | K | 97.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 137.4 | 177.2 | -57.8 | 177.2 | 152.8 | -78.5 | 0 | 109.5 | Q25 F26 G27 P44 Q56 D57 L72 N111 L113 | Q25-K74 HydrophobicContact CB-CD 4.47Å; F26-K74 WeakPolarHBondContact CA-O 3.46Å; F26-K74 WeakPolarHBondContact CD2-O 3.1Å; G27-K74 PolarHBondContact N-O 2.87Å; G27-K74 PolarHBondContact O-N 2.94Å; P44-K74 HydrophobicContact CB-CD 3.89Å; Q56-K74 WeakPolarHBondContact O-CA 3.15Å; D57-K74 WeakPolarHBondContact OD1-CG 3.37Å; D57-K74 IonicContact OD1-NZ 2.78Å; D57-K74 PolarHBondContact OD1-NZ 3.3Å; D57-K74 IonicContact OD2-NZ 3.61Å; L72-K74 HydrophobicContact CD1-CG 4.2Å; L72-K74 HydrophobicContact CD2-CD 4.17Å; L72-K74 HydrophobicContact CD2-CG 4.35Å; L72-K74 HydrophobicContact CG-CD 4.5Å; L72-K74 HydrophobicContact CG-CG 4.15Å; K74-N111 PolarHBondContact NZ-O 3.25Å; K74-N111 VanDerWaalsContact NZ-O 3.15Å; K74-L113 WeakPolarHBondContact CE-O 3.4Å; K74-L113 PolarHBondContact NZ-O 2.75Å |
| 75 | G | 96.8 | Very high | 95.7 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.7 | -162.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q25 Q56 | Q25-G75 PolarHBondContact O-N 3.4Å; Q56-G75 PolarHBondContact N-O 3.47Å; Q56-G75 PolarHBondContact O-N 3.34Å |
| 76 | C | 96.8 | Very high | 96.2 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 34% | 0.338 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 147.5 | 176.6 | -48.9 | 0 | 0 | 0 | 0 | 111.1 | C49 L53 G54 | C49-C76 WeakPolarHBondContact CA-SG 3.05Å; C49-C76 HydrophobicContact CB-CB 3.77Å; C49-C76 WeakPolarHBondContact CB-SG 3.31Å; C49-C76 WeakPolarHBondContact SG-CB 3.37Å; C49-C76 CovalentContact SG-SG 2.03Å; C49-C76 PolarHBondContact SG-SG 3.35Å; L53-C76 HydrophobicContact CB-CB 4.3Å; L53-C76 HydrophobicContact CD1-CB 3.84Å; G54-C76 CarbonylContact O-C 3.58Å; G54-C76 VanDerWaalsContact O-CA 3.26Å; G54-C76 WeakPolarHBondContact O-CA 3.5Å |
| 77 | T | 96.8 | Very high | 96.5 | Very high | 20 Ų | 20 | 56.1 Ų | 56.1 | 12% | 0.123 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 150.6 | -179.3 | -167.3 | 0 | 0 | 0 | 0 | 113.5 | L53 G54 Q56 A79 V103 R105 | L53-T77 CarbonylContact C-O 3.58Å; L53-T77 WeakPolarHBondContact CA-O 3.47Å; G54-T77 PolarHBondContact N-O 3.26Å; G54-T77 PolarHBondContact O-N 2.89Å; Q56-T77 HydrophobicContact CB-CG2 3.71Å; Q56-T77 PolarHBondContact OE1-OG1 3.3Å; T77-A79 HydrophobicContact CG2-CB 4.1Å; T77-A79 WeakPolarHBondContact OG1-CB 3.35Å; T77-A79 PolarHBondContact OG1-N 3.37Å; T77-A79 VanDerWaalsContact OG1-N 3.14Å; T77-V103 HydrophobicContact CG2-CG1 3.58Å; T77-V103 HydrophobicContact CG2-CG2 4.36Å; T77-R105 PolarHBondContact O-NH2 3.1Å |
| 78 | E | 95.8 | Very high | 96.5 | Very high | 169 Ų | 169 | 57.3 Ų | 57.3 | 79% | 0.79 | 29% | 0.292 | S | S | * | . | trans | -85.5 | -13.5 | 168 | -68 | -177.8 | 171.2 | 0 | 0 | 112.3 | L53 R105 | L53-E78 HydrophobicContact CD2-CB 4.29Å; L53-E78 HydrophobicContact CD2-CG 3.34Å; E78-R105 PolarHBondContact O-NH2 2.8Å | ||
| 79 | A | 95.5 | Very high | 96.4 | Very high | 43 Ų | 43 | 58.3 Ų | 58.3 | 36% | 0.355 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -57.8 | 144.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T77 V103 R105 | T77-A79 HydrophobicContact CG2-CB 4.1Å; T77-A79 WeakPolarHBondContact OG1-CB 3.35Å; T77-A79 PolarHBondContact OG1-N 3.37Å; T77-A79 VanDerWaalsContact OG1-N 3.14Å; A79-V103 HydrophobicContact CB-CG2 4.28Å; A79-V103 WeakPolarHBondContact O-CG1 3.37Å; A79-R105 PolarHBondContact O-NH1 2.76Å; A79-R105 PolarHBondContact O-NH2 2.88Å |
| 80 | K | 95.8 | Very high | 96.2 | Very high | 182 Ų | 182 | 59.5 Ų | 59.5 | 79% | 0.791 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -65 | 154.2 | 178.5 | -64.7 | -177.3 | -179 | 179 | 0 | 110.9 | Q82 V103 | K80-Q82 PolarHBondContact O-N 2.89Å; K80-V103 WeakPolarHBondContact O-CB 3.44Å; K80-V103 WeakPolarHBondContact O-CG1 3Å |
| 81 | D | 97.1 | Very high | 95.7 | Very high | 90 Ų | 90 | 64.7 Ų | 64.7 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 137.3 | 174.1 | -65 | -19.4 | 0 | 0 | 0 | 110.4 | V103 R105 | D81-V103 WeakPolarHBondContact CA-O 3.28Å; D81-R105 WeakPolarHBondContact OD1-CD 3.42Å; D81-R105 VanDerWaalsContact OD1-CG 3.29Å; D81-R105 WeakPolarHBondContact OD1-CG 3.34Å; D81-R105 IonicContact OD1-CZ 3.74Å; D81-R105 PolarHBondContact OD1-N 2.7Å; D81-R105 IonicContact OD1-NH1 2.72Å; D81-R105 PolarHBondContact OD1-NH1 3.33Å |
| 82 | Q | 96.9 | Very high | 95 | Very high | 67 Ų | 67 | 65.4 Ų | 65.4 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 121.9 | -173.6 | -174.3 | -158.3 | -41.9 | 0 | 0 | 107.7 | K80 R85 T101 F102 V103 | K80-Q82 PolarHBondContact O-N 2.89Å; Q82-R85 VanDerWaalsContact NE2-CB 3.26Å; Q82-T101 PolarHBondContact NE2-OG1 3.24Å; Q82-F102 WeakPolarHBondContact O-CD2 3.46Å; Q82-F102 WeakPolarHBondContact O-CE2 3.47Å; Q82-V103 HydrophobicContact CB-CB 4.13Å; Q82-V103 HydrophobicContact CB-CG2 4.4Å; Q82-V103 PolarHBondContact N-O 2.88Å; Q82-V103 PolarHBondContact O-N 3.4Å; Q82-V103 VanDerWaalsContact O-O 3.1Å |
| 83 | E | 96.7 | Very high | 94.2 | Very high | 153 Ų | 153 | 68 Ų | 68 | 72% | 0.715 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 154.2 | 171.4 | -71 | -61.8 | 152.9 | 0 | 0 | 111.8 | R85 | E83-R85 PolarHBondContact O-N 2.86Å; E83-R85 VanDerWaalsContact O-N 3.13Å |
| 84 | P | 97 | Very high | 93.7 | Very high | 68 Ų | 68 | 68.9 Ų | 68.9 | 44% | 0.442 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 121.8 | 179.8 | -27.3 | 36.4 | 0 | 0 | 0 | 111.4 | Y100 F102 | P84-Y100 HydrophobicContact CB-CE2 3.75Å; P84-F102 HydrophobicContact CB-CD2 4.28Å; P84-F102 VanDerWaalsContact CD-CD2 3.43Å; P84-F102 HydrophobicContact CG-CD2 3.52Å; P84-F102 HydrophobicContact CG-CE2 3.8Å; P84-F102 HydrophobicContact CG-CG 4.07Å |
| 85 | R | 97.5 | Very high | 93.5 | Very high | 147 Ų | 147 | 69 Ų | 69 | 56% | 0.555 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 120.6 | -177.9 | -178.1 | -178.8 | 168.5 | 168.3 | -0.1 | 110.3 | Q82 E83 T87 Y100 T101 | Q82-R85 VanDerWaalsContact NE2-CB 3.26Å; E83-R85 PolarHBondContact O-N 2.86Å; E83-R85 VanDerWaalsContact O-N 3.13Å; R85-T87 PolarHBondContact NE-OG1 2.74Å; R85-Y100 CarbonylContact O-C 3.57Å; R85-Y100 VanDerWaalsContact O-CA 3.32Å; R85-Y100 WeakPolarHBondContact O-CA 3.46Å; R85-T101 PolarHBondContact N-O 3.39Å; R85-T101 PolarHBondContact O-N 2.92Å |
| 86 | V | 97.1 | Very high | 93.3 | Very high | 73 Ų | 73 | 69.1 Ų | 69.1 | 44% | 0.442 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.4 | 164.6 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | I98 S99 Y100 L119 | V86-I98 HydrophobicContact CG1-CD1 3.67Å; V86-I98 HydrophobicContact CG1-CG1 3.87Å; V86-S99 CarbonylContact C-O 3.59Å; V86-S99 VanDerWaalsContact CA-O 3.22Å; V86-S99 WeakPolarHBondContact CA-O 3.45Å; V86-Y100 HydrophobicContact CG2-CD2 4.02Å; V86-L119 HydrophobicContact CB-CD2 4.37Å; V86-L119 HydrophobicContact CG1-CD2 3.67Å; V86-L119 HydrophobicContact CG2-CD2 3.94Å |
| 87 | T | 95.4 | Very high | 93.2 | Very high | 27 Ų | 27 | 66.7 Ų | 66.7 | 17% | 0.166 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 128.1 | 177.1 | -54.2 | 0 | 0 | 0 | 0 | 109.3 | R85 H89 I98 S99 | R85-T87 PolarHBondContact NE-OG1 2.74Å; T87-H89 PolarHBondContact O-CD2 3.14Å; T87-I98 CarbonylContact O-C 3.54Å; T87-I98 WeakPolarHBondContact O-CA 3.5Å; T87-I98 WeakPolarHBondContact O-CG1 3.22Å; T87-S99 PolarHBondContact N-O 2.79Å; T87-S99 PolarHBondContact O-N 2.93Å |
| 88 | E | 93.6 | Very high | 93.1 | Very high | 89 Ų | 89 | 67.4 Ų | 67.4 | 42% | 0.416 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 110 | 172.3 | -158 | -164.5 | 114 | 0 | 0 | 108.8 | M91 | E88-M91 WeakPolarHBondContact OE1-CA 3.44Å; E88-M91 WeakPolarHBondContact OE1-CB 3.46Å; E88-M91 WeakPolarHBondContact OE1-CE 3.18Å; E88-M91 WeakPolarHBondContact OE1-CG 3.23Å; E88-M91 PolarHBondContact OE1-N 2.83Å; E88-M91 VanDerWaalsContact OE1-N 3.12Å; E88-M91 WeakPolarHBondContact OE2-CE 3.47Å; E88-M91 VanDerWaalsContact OE2-SD 3.41Å |
| 89 | H | 92.8 | Very high | 93.2 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -33.5 | -178.1 | -59.1 | -88.7 | 0 | 0 | 0 | 110.7 | T87 L97 S99 N189 T191 I194 | T87-H89 PolarHBondContact O-CD2 3.14Å; H89-L97 HydrophobicContact CB-CB 4.23Å; H89-L97 HydrophobicContact CB-CD2 3.75Å; H89-L97 HydrophobicContact CB-CG 3.79Å; H89-L97 PolarHBondContact N-O 3.13Å; H89-S99 WeakPolarHBondContact NE2-CB 3.44Å; H89-S99 PolarHBondContact NE2-OG 2.94Å; H89-N189 WeakPolarHBondContact O-CB 3.45Å; H89-N189 PolarHBondContact O-ND2 2.84Å; H89-T191 WeakPolarHBondContact ND1-CG2 3.37Å; H89-T191 PolarHBondContact ND1-OG1 3.28Å; H89-I194 WeakPolarHBondContact NE2-CD1 3.48Å |
| 90 | R | 91.3 | Very high | 93.3 | Very high | 25 Ų | 25 | 58.3 Ų | 58.3 | 9% | 0.094 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 124.4 | 173 | 175.9 | 169 | -67.9 | -83.4 | -5.2 | 111.3 | S96 L97 M180 N186 L187 | R90-S96 WeakPolarHBondContact O-CA 3.3Å; R90-L97 HydrophobicContact CB-CB 4.43Å; R90-L97 PolarHBondContact N-O 2.83Å; R90-L97 VanDerWaalsContact N-O 3.15Å; R90-L97 PolarHBondContact O-N 3.44Å; R90-L97 VanDerWaalsContact O-N 3.11Å; R90-M180 PolarHBondContact NH1-SD 2.82Å; R90-N186 PolarHBondContact NH2-O 2.92Å; R90-L187 PolarHBondContact NE-O 2.65Å |
| 91 | M | 86.9 | Confident | 93.4 | Very high | 111 Ų | 111 | 50.3 Ų | 50.3 | 55% | 0.547 | 26% | 0.263 | S | S | . | . | trans | -74.4 | 138.8 | 170.3 | -164.5 | 65.9 | 79.2 | 0 | 0 | 110.6 | E88 | E88-M91 WeakPolarHBondContact OE1-CA 3.44Å; E88-M91 WeakPolarHBondContact OE1-CB 3.46Å; E88-M91 WeakPolarHBondContact OE1-CE 3.18Å; E88-M91 WeakPolarHBondContact OE1-CG 3.23Å; E88-M91 PolarHBondContact OE1-N 2.83Å; E88-M91 VanDerWaalsContact OE1-N 3.12Å; E88-M91 WeakPolarHBondContact OE2-CE 3.47Å; E88-M91 VanDerWaalsContact OE2-SD 3.41Å | ||
| 92 | G | 82.1 | Confident | 93.5 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 17% | 0.165 | 24% | 0.244 | C | C | . | . | trans | -67.5 | -172.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 93 | P | 80.6 | Confident | 93.6 | Very high | 56 Ų | 56 | 43.8 Ų | 43.8 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | S | Bend | cis | -85.2 | 153.4 | 4.9 | 36.6 | -38.1 | 0 | 0 | 0 | 112.3 | A126 P152 | P93-A126 HydrophobicContact CB-CB 3.57Å; P93-A126 HydrophobicContact CG-CB 3.83Å; P93-P152 VanDerWaalsContact C-CG 3.45Å; P93-P152 HydrophobicContact CB-CB 3.67Å; P93-P152 HydrophobicContact CB-CG 3.54Å; P93-P152 HydrophobicContact CG-CB 3.57Å; P93-P152 HydrophobicContact CG-CG 3.63Å; P93-P152 WeakPolarHBondContact O-CG 3.35Å |
| 94 | G | 88 | Confident | 93.6 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 27% | 0.268 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 115.2 | -108.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 95 | L | 92.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134.5 | 168.1 | -69.4 | 175.6 | 0 | 0 | 0 | 111.4 | E63 S64 Y159 V176 C179 M180 L187 | E63-L95 WeakPolarHBondContact O-CA 3.32Å; E63-L95 WeakPolarHBondContact O-CD2 3.48Å; S64-L95 VanDerWaalsContact CB-CD2 3.43Å; S64-L95 WeakPolarHBondContact OG-CD2 3.44Å; L95-Y159 HydrophobicContact CD1-CD1 3.53Å; L95-Y159 HydrophobicContact CD1-CE1 4.4Å; L95-Y159 HydrophobicContact CD1-CG 3.66Å; L95-V176 HydrophobicContact CD1-CG1 4.15Å; L95-V176 HydrophobicContact CD2-CG1 3.7Å; L95-C179 PolarHBondContact N-O 3.13Å; L95-C179 VanDerWaalsContact N-O 3.1Å; L95-M180 HydrophobicContact CD1-CG 4.06Å; L95-L187 HydrophobicContact CB-CD1 3.99Å; L95-L187 HydrophobicContact CD1-CD1 4.18Å; L95-L187 HydrophobicContact CD1-CD2 4.46Å |
| 96 | S | 92.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 35.8 Ų | 35.8 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 151.7 | 172.6 | 72.8 | 0 | 0 | 0 | 0 | 111.1 | I62 E63 R90 | I62-S96 WeakPolarHBondContact CA-O 3.38Å; E63-S96 WeakPolarHBondContact CB-OG 3.08Å; E63-S96 PolarHBondContact N-O 2.67Å; E63-S96 PolarHBondContact O-N 3.14Å; R90-S96 WeakPolarHBondContact O-CA 3.3Å |
| 97 | L | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 116.8 | 170.8 | 168.2 | 61.7 | 0 | 0 | 0 | 108.5 | M60 L61 I62 H89 R90 L188 I194 | M60-L97 HydrophobicContact CB-CD1 4.37Å; L61-L97 WeakPolarHBondContact O-CA 3.31Å; I62-L97 HydrophobicContact CD1-CD1 4.36Å; I62-L97 HydrophobicContact CG1-CD1 3.52Å; I62-L97 HydrophobicContact CG1-CG 4.49Å; H89-L97 HydrophobicContact CB-CB 4.23Å; H89-L97 HydrophobicContact CB-CD2 3.75Å; H89-L97 HydrophobicContact CB-CG 3.79Å; H89-L97 PolarHBondContact N-O 3.13Å; R90-L97 HydrophobicContact CB-CB 4.43Å; R90-L97 PolarHBondContact N-O 2.83Å; R90-L97 VanDerWaalsContact N-O 3.15Å; R90-L97 PolarHBondContact O-N 3.44Å; R90-L97 VanDerWaalsContact O-N 3.11Å; L97-L188 HydrophobicContact CD2-CD2 3.83Å; L97-I194 HydrophobicContact CD2-CD1 4.48Å |
| 98 | I | 95.4 | Very high | 92.9 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 17% | 0.174 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 144.5 | 177.3 | -165.3 | 177.5 | 0 | 0 | 0 | 109.6 | M60 L61 V86 T87 L119 | M60-I98 WeakPolarHBondContact CA-O 3.04Å; L61-I98 HydrophobicContact CB-CG2 3.94Å; L61-I98 PolarHBondContact N-O 3.01Å; L61-I98 PolarHBondContact O-N 2.9Å; V86-I98 HydrophobicContact CG1-CD1 3.67Å; V86-I98 HydrophobicContact CG1-CG1 3.87Å; T87-I98 CarbonylContact O-C 3.54Å; T87-I98 WeakPolarHBondContact O-CA 3.5Å; T87-I98 WeakPolarHBondContact O-CG1 3.22Å; I98-L119 HydrophobicContact CD1-CD2 4.12Å; I98-L119 HydrophobicContact CG1-CD2 4.01Å; I98-L119 HydrophobicContact CG2-CB 4.17Å; I98-L119 HydrophobicContact CG2-CD1 4.34Å |
| 99 | S | 97.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 156.3 | -179.9 | 73.9 | 0 | 0 | 0 | 0 | 113.2 | L59 V86 T87 H89 L119 | L59-S99 CarbonylContact O-C 3.51Å; L59-S99 WeakPolarHBondContact O-CA 3.49Å; L59-S99 WeakPolarHBondContact O-CB 3.35Å; V86-S99 CarbonylContact C-O 3.59Å; V86-S99 VanDerWaalsContact CA-O 3.22Å; V86-S99 WeakPolarHBondContact CA-O 3.45Å; T87-S99 PolarHBondContact N-O 2.79Å; T87-S99 PolarHBondContact O-N 2.93Å; H89-S99 WeakPolarHBondContact NE2-CB 3.44Å; H89-S99 PolarHBondContact NE2-OG 2.94Å; S99-L119 WeakPolarHBondContact O-CD2 3.42Å |
| 100 | Y | 98.3 | Very high | 93.2 | Very high | 21 Ų | 21 | 39 Ų | 39 | 8% | 0.082 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.7 | 170.2 | 171.7 | -82.4 | 0 | 0 | 0 | 108.2 | D57 T58 L59 P84 R85 V86 F102 L113 P118 | D57-Y100 HydrophobicContact CB-CE1 4Å; T58-Y100 WeakPolarHBondContact CA-O 3.41Å; L59-Y100 PolarHBondContact N-O 3.01Å; L59-Y100 PolarHBondContact O-N 3.15Å; P84-Y100 HydrophobicContact CB-CE2 3.75Å; R85-Y100 CarbonylContact O-C 3.57Å; R85-Y100 VanDerWaalsContact O-CA 3.32Å; R85-Y100 WeakPolarHBondContact O-CA 3.46Å; V86-Y100 HydrophobicContact CG2-CD2 4.02Å; Y100-F102 HydrophobicContact CE1-CB 3.69Å; Y100-L113 HydrophobicContact CD1-CD1 4.47Å; Y100-L113 HydrophobicContact CD1-CD2 3.67Å; Y100-L113 HydrophobicContact CE1-CB 4.42Å; Y100-L113 HydrophobicContact CE1-CD1 4.22Å; Y100-L113 HydrophobicContact CE1-CD2 3.88Å; Y100-L113 HydrophobicContact CE1-CG 4.4Å; Y100-L113 HydrophobicContact CG-CD2 4.43Å; Y100-P118 HydrophobicContact CD2-CB 3.97Å; Y100-P118 HydrophobicContact CE2-CB 4.32Å |
| 101 | T | 98.3 | Very high | 93.5 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 140.6 | 174.2 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | D57 T58 Q82 R85 I194 | D57-T101 WeakPolarHBondContact O-CA 3.02Å; T58-T101 HydrophobicContact CG2-CG2 4.32Å; Q82-T101 PolarHBondContact NE2-OG1 3.24Å; R85-T101 PolarHBondContact N-O 3.39Å; R85-T101 PolarHBondContact O-N 2.92Å; T101-I194 HydrophobicContact CG2-CG2 3.99Å |
| 102 | F | 98.3 | Very high | 93.9 | Very high | 19 Ų | 19 | 37.5 Ų | 37.5 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 136.5 | 176.1 | 177.6 | -127.1 | 0 | 0 | 0 | 109.9 | Q56 D57 Q82 P84 Y100 C104 C110 | Q56-F102 WeakPolarHBondContact CA-O 3.26Å; D57-F102 HydrophobicContact CB-CB 4.32Å; D57-F102 PolarHBondContact N-O 3.44Å; D57-F102 PolarHBondContact O-N 3.21Å; Q82-F102 WeakPolarHBondContact O-CD2 3.46Å; Q82-F102 WeakPolarHBondContact O-CE2 3.47Å; P84-F102 HydrophobicContact CB-CD2 4.28Å; P84-F102 VanDerWaalsContact CD-CD2 3.43Å; P84-F102 HydrophobicContact CG-CD2 3.52Å; P84-F102 HydrophobicContact CG-CE2 3.8Å; P84-F102 HydrophobicContact CG-CG 4.07Å; Y100-F102 HydrophobicContact CE1-CB 3.69Å; F102-C104 HydrophobicContact CE1-CB 3.82Å; F102-C104 VanDerWaalsContact CE1-SG 3.56Å; F102-C104 HydrophobicContact CE2-CB 4.24Å; F102-C104 HydrophobicContact CZ-CB 3.59Å; F102-C110 WeakPolarHBondContact CE1-O 2.93Å |
| 103 | V | 98.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 130.4 | 177.7 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | C55 Q56 T77 A79 K80 D81 Q82 | C55-V103 WeakPolarHBondContact O-CA 2.98Å; Q56-V103 HydrophobicContact CB-CG2 4.31Å; Q56-V103 HydrophobicContact CG-CG2 3.97Å; T77-V103 HydrophobicContact CG2-CG1 3.58Å; T77-V103 HydrophobicContact CG2-CG2 4.36Å; A79-V103 HydrophobicContact CB-CG2 4.28Å; A79-V103 WeakPolarHBondContact O-CG1 3.37Å; K80-V103 WeakPolarHBondContact O-CB 3.44Å; K80-V103 WeakPolarHBondContact O-CG1 3Å; D81-V103 WeakPolarHBondContact CA-O 3.28Å; Q82-V103 HydrophobicContact CB-CB 4.13Å; Q82-V103 HydrophobicContact CB-CG2 4.4Å; Q82-V103 PolarHBondContact N-O 2.88Å; Q82-V103 PolarHBondContact O-N 3.4Å; Q82-V103 VanDerWaalsContact O-O 3.1Å |
| 104 | C | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 153.1 | -173.2 | 57.5 | 0 | 0 | 0 | 0 | 112.6 | G54 C55 F102 C110 N111 | G54-C104 CarbonylContact C-O 3.59Å; G54-C104 WeakPolarHBondContact CA-O 3.03Å; C55-C104 PolarHBondContact N-O 3.03Å; C55-C104 PolarHBondContact O-N 2.66Å; F102-C104 HydrophobicContact CE1-CB 3.82Å; F102-C104 VanDerWaalsContact CE1-SG 3.56Å; F102-C104 HydrophobicContact CE2-CB 4.24Å; F102-C104 HydrophobicContact CZ-CB 3.59Å; C104-C110 VanDerWaalsContact C-SG 3.57Å; C104-C110 HydrophobicContact CB-CB 3.82Å; C104-C110 WeakPolarHBondContact CB-SG 2.94Å; C104-C110 WeakPolarHBondContact SG-CB 3.41Å; C104-C110 CovalentContact SG-SG 2.02Å; C104-C110 PolarHBondContact SG-SG 3.46Å; C104-N111 PolarHBondContact SG-N 2.86Å |
| 105 | R | 95.1 | Very high | 95.7 | Very high | 68 Ų | 68 | 38.1 Ų | 38.1 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | trans | -136.9 | -2.6 | 178.7 | -78.2 | 173.8 | -179 | 79.3 | -0.1 | 113.9 | G52 T77 E78 A79 D81 E107 | G52-R105 PolarHBondContact O-NE 3.11Å; T77-R105 PolarHBondContact O-NH2 3.1Å; E78-R105 PolarHBondContact O-NH2 2.8Å; A79-R105 PolarHBondContact O-NH1 2.76Å; A79-R105 PolarHBondContact O-NH2 2.88Å; D81-R105 WeakPolarHBondContact OD1-CD 3.42Å; D81-R105 VanDerWaalsContact OD1-CG 3.29Å; D81-R105 WeakPolarHBondContact OD1-CG 3.34Å; D81-R105 IonicContact OD1-CZ 3.74Å; D81-R105 PolarHBondContact OD1-N 2.7Å; D81-R105 IonicContact OD1-NH1 2.72Å; D81-R105 PolarHBondContact OD1-NH1 3.33Å; R105-E107 PolarHBondContact O-N 2.94Å | ||
| 106 | Q | 89.4 | Confident | 95.9 | Very high | 131 Ų | 131 | 37.9 Ų | 37.9 | 61% | 0.612 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -70 | -31 | -169 | 59.9 | -95.1 | 28.2 | 0 | 0 | 114.4 | ||
| 107 | E | 92.9 | Very high | 96 | Very high | 127 Ų | 127 | 42.1 Ų | 42.1 | 59% | 0.593 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -157.8 | 161 | -176.7 | 68.8 | -173 | 166.3 | 0 | 0 | 112.1 | R105 C110 | R105-E107 PolarHBondContact O-N 2.94Å; E107-C110 HydrophobicContact CG-CB 4.08Å; E107-C110 WeakPolarHBondContact O-CB 3.39Å; E107-C110 PolarHBondContact O-N 2.76Å; E107-C110 PolarHBondContact O-SG 3.04Å |
| 108 | D | 96.1 | Very high | 96 | Very high | 78 Ų | 78 | 44.9 Ų | 44.9 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 138.4 | 175.3 | -74 | -20.2 | 0 | 0 | 0 | 111.5 | L23 C110 | L23-D108 HydrophobicContact CB-CB 4.06Å; L23-D108 PolarHBondContact N-OD1 2.89Å; L23-D108 CarbonylContact O-C 3.3Å; L23-D108 WeakPolarHBondContact O-CA 3.42Å; D108-C110 PolarHBondContact O-N 3.15Å |
| 109 | F | 96.4 | Very high | 95.9 | Very high | 66 Ų | 66 | 43.7 Ų | 43.7 | 29% | 0.289 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 24.9 | 177.8 | -47.4 | -66.5 | 0 | 0 | 0 | 114.9 | L23 Q25 N46 N111 | L23-F109 HydrophobicContact CB-CD1 4.3Å; L23-F109 HydrophobicContact CB-CE1 3.64Å; L23-F109 HydrophobicContact CB-CE2 4.05Å; L23-F109 HydrophobicContact CB-CZ 3.51Å; L23-F109 HydrophobicContact CD1-CE2 4.11Å; L23-F109 HydrophobicContact CD1-CZ 3.77Å; L23-F109 HydrophobicContact CG-CZ 4.24Å; L23-F109 PolarHBondContact O-N 2.72Å; Q25-F109 HydrophobicContact CG-CB 4.42Å; Q25-F109 HydrophobicContact CG-CD1 4.28Å; N46-F109 HydrophobicContact CB-CE1 3.79Å; N46-F109 HydrophobicContact CB-CZ 4.42Å; N46-F109 VanDerWaalsContact CG-CE1 3.4Å; N46-F109 WeakPolarHBondContact ND2-CE1 3.4Å; F109-N111 PolarHBondContact O-N 3.04Å; F109-N111 VanDerWaalsContact O-N 3.16Å |
| 110 | C | 96.3 | Very high | 95.4 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.047 | 23% | 0.23 | C | C | . | . | trans | -59.5 | -26.1 | 179 | 63.6 | 0 | 0 | 0 | 0 | 113.3 | F102 C104 E107 D108 N112 | F102-C110 WeakPolarHBondContact CE1-O 2.93Å; C104-C110 VanDerWaalsContact C-SG 3.57Å; C104-C110 HydrophobicContact CB-CB 3.82Å; C104-C110 WeakPolarHBondContact CB-SG 2.94Å; C104-C110 WeakPolarHBondContact SG-CB 3.41Å; C104-C110 CovalentContact SG-SG 2.02Å; C104-C110 PolarHBondContact SG-SG 3.46Å; E107-C110 HydrophobicContact CG-CB 4.08Å; E107-C110 WeakPolarHBondContact O-CB 3.39Å; E107-C110 PolarHBondContact O-N 2.76Å; E107-C110 PolarHBondContact O-SG 3.04Å; D108-C110 PolarHBondContact O-N 3.15Å; C110-N112 PolarHBondContact O-N 2.79Å | ||
| 111 | N | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -79.5 | 66 | 175.6 | 72.3 | -40.3 | 0 | 0 | 0 | 112.5 | Q25 C55 Q56 D57 K74 C104 F109 L113 | Q25-N111 WeakPolarHBondContact CB-OD1 3.42Å; Q25-N111 VanDerWaalsContact CD-O 3.29Å; Q25-N111 PolarHBondContact N-OD1 2.03Å; Q25-N111 PolarHBondContact O-ND2 3.5Å; Q25-N111 PolarHBondContact OE1-O 2.78Å; C55-N111 HydrophobicContact CB-CB 3.62Å; C55-N111 VanDerWaalsContact CB-CG 3.49Å; C55-N111 WeakPolarHBondContact CB-OD1 3.4Å; Q56-N111 PolarHBondContact O-ND2 2.81Å; D57-N111 VanDerWaalsContact OD2-CA 3.31Å; D57-N111 WeakPolarHBondContact OD2-CA 3.34Å; K74-N111 PolarHBondContact NZ-O 3.25Å; K74-N111 VanDerWaalsContact NZ-O 3.15Å; C104-N111 PolarHBondContact SG-N 2.86Å; F109-N111 PolarHBondContact O-N 3.04Å; F109-N111 VanDerWaalsContact O-N 3.16Å; N111-L113 PolarHBondContact O-N 2.69Å | ||
| 112 | N | 95.8 | Very high | 93.3 | Very high | 104 Ų | 104 | 52.4 Ų | 52.4 | 56% | 0.556 | 28% | 0.279 | S | S | * | . | trans | -93.8 | 21.5 | -166.6 | 69 | 4.4 | 0 | 0 | 0 | 115.6 | D57 C110 V114 | D57-N112 PolarHBondContact OD2-N 2.99Å; C110-N112 PolarHBondContact O-N 2.79Å; N112-V114 PolarHBondContact O-N 3.32Å | ||
| 113 | L | 96.7 | Very high | 92 | Very high | 11 Ų | 11 | 56.3 Ų | 56.3 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | trans | -65.6 | 106.3 | 177.3 | -176.4 | 74.7 | 0 | 0 | 0 | 111.2 | W42 D57 L59 L72 K74 Y100 N111 N115 P118 | W42-L113 HydrophobicContact CZ2-CD2 4.13Å; W42-L113 HydrophobicContact CZ2-CG 4.02Å; W42-L113 PolarHBondContact NE1-O 3.22Å; D57-L113 HydrophobicContact CB-CB 4.14Å; D57-L113 HydrophobicContact CB-CD2 4.44Å; D57-L113 WeakPolarHBondContact OD2-CB 3.41Å; D57-L113 PolarHBondContact OD2-N 2.76Å; L59-L113 HydrophobicContact CB-CD2 3.78Å; L59-L113 HydrophobicContact CD2-CD2 4.09Å; L72-L113 HydrophobicContact CD1-CD2 4.32Å; K74-L113 WeakPolarHBondContact CE-O 3.4Å; K74-L113 PolarHBondContact NZ-O 2.75Å; Y100-L113 HydrophobicContact CD1-CD1 4.47Å; Y100-L113 HydrophobicContact CD1-CD2 3.67Å; Y100-L113 HydrophobicContact CE1-CB 4.42Å; Y100-L113 HydrophobicContact CE1-CD1 4.22Å; Y100-L113 HydrophobicContact CE1-CD2 3.88Å; Y100-L113 HydrophobicContact CE1-CG 4.4Å; Y100-L113 HydrophobicContact CG-CD2 4.43Å; N111-L113 PolarHBondContact O-N 2.69Å; L113-N115 WeakPolarHBondContact CD1-O 2.94Å; L113-P118 HydrophobicContact CD1-CG 3.6Å | ||
| 114 | V | 95.9 | Very high | 90.9 | Very high | 61 Ų | 61 | 61.4 Ų | 61.4 | 37% | 0.37 | 33% | 0.331 | S | S | . | . | trans | -109.4 | 2.8 | -175.9 | -68.5 | 0 | 0 | 0 | 0 | 114.5 | Q41 W42 N112 | Q41-V114 WeakPolarHBondContact CA-O 2.97Å; W42-V114 VanDerWaalsContact CE2-C 3.49Å; W42-V114 PolarHBondContact N-O 2.95Å; N112-V114 PolarHBondContact O-N 3.32Å | ||
| 115 | N | 95.8 | Very high | 89.8 | Confident | 39 Ų | 39 | 67.8 Ų | 67.8 | 21% | 0.209 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -156.1 | 166.6 | 179.4 | 65 | 59.1 | 0 | 0 | 0 | 112.6 | R40 Q41 W42 L113 L117 | R40-N115 CarbonylContact O-C 3.54Å; R40-N115 WeakPolarHBondContact O-CA 3.35Å; R40-N115 VanDerWaalsContact O-CB 3.28Å; R40-N115 WeakPolarHBondContact O-CB 3.42Å; Q41-N115 HydrophobicContact CB-CB 4.46Å; Q41-N115 HydrophobicContact CG-CB 3.94Å; W42-N115 VanDerWaalsContact CH2-O 3.28Å; W42-N115 WeakPolarHBondContact CH2-O 3.29Å; L113-N115 WeakPolarHBondContact CD1-O 2.94Å; N115-L117 VanDerWaalsContact C-N 3.27Å; N115-L117 PolarHBondContact O-N 3.09Å; N115-L117 WeakPolarHBondContact OD1-CB 3.36Å; N115-L117 PolarHBondContact OD1-N 2.78Å |
| 116 | S | 96.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -85.4 | 7.6 | -179.1 | 70.3 | 0 | 0 | 0 | 0 | 114.3 | P39 R40 W42 P118 L119 W120 | P39-S116 VanDerWaalsContact CA-OG 3.22Å; P39-S116 WeakPolarHBondContact CA-OG 3.36Å; P39-S116 WeakPolarHBondContact CB-OG 3.32Å; R40-S116 PolarHBondContact N-OG 2.91Å; R40-S116 PolarHBondContact O-N 2.62Å; W42-S116 VanDerWaalsContact CH2-N 3.3Å; S116-P118 VanDerWaalsContact C-CD 3.41Å; S116-P118 VanDerWaalsContact C-N 3.34Å; S116-L119 PolarHBondContact O-N 2.85Å; S116-L119 VanDerWaalsContact O-N 3.17Å; S116-W120 PolarHBondContact O-N 2.97Å |
| 117 | L | 95.2 | Very high | 89.3 | Confident | 103 Ų | 103 | 65.8 Ų | 65.8 | 54% | 0.539 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -56.8 | -38.2 | -175.9 | -167.1 | 69.5 | 0 | 0 | 0 | 113.4 | P39 N115 L119 W120 | P39-L117 HydrophobicContact CB-CD1 4.39Å; P39-L117 HydrophobicContact CG-CD1 4.13Å; N115-L117 VanDerWaalsContact C-N 3.27Å; N115-L117 PolarHBondContact O-N 3.09Å; N115-L117 WeakPolarHBondContact OD1-CB 3.36Å; N115-L117 PolarHBondContact OD1-N 2.78Å; L117-L119 PolarHBondContact O-N 3.05Å; L117-L119 VanDerWaalsContact O-N 3.11Å; L117-W120 PolarHBondContact O-N 3.12Å |
| 118 | P | 94.3 | Very high | 89.2 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 38% | 0.377 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -62.6 | -21.3 | -179.3 | -28.5 | 40.1 | 0 | 0 | 0 | 114.8 | Y100 L113 S116 | Y100-P118 HydrophobicContact CD2-CB 3.97Å; Y100-P118 HydrophobicContact CE2-CB 4.32Å; L113-P118 HydrophobicContact CD1-CG 3.6Å; S116-P118 VanDerWaalsContact C-CD 3.41Å; S116-P118 VanDerWaalsContact C-N 3.34Å |
| 119 | L | 93.6 | Very high | 89 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -105 | -5.9 | 176.8 | -60.9 | -169.8 | 0 | 0 | 0 | 112.9 | L59 L61 V86 I98 S99 S116 L117 A121 | L59-L119 HydrophobicContact CB-CD1 4.2Å; L59-L119 HydrophobicContact CD2-CB 4.44Å; L59-L119 HydrophobicContact CD2-CD1 3.66Å; L59-L119 HydrophobicContact CD2-CG 3.91Å; L59-L119 HydrophobicContact CG-CD1 3.66Å; L59-L119 HydrophobicContact CG-CG 4.45Å; L61-L119 HydrophobicContact CD1-CB 3.64Å; L61-L119 HydrophobicContact CG-CB 4.1Å; L61-L119 HydrophobicContact CG-CD1 4.16Å; V86-L119 HydrophobicContact CB-CD2 4.37Å; V86-L119 HydrophobicContact CG1-CD2 3.67Å; V86-L119 HydrophobicContact CG2-CD2 3.94Å; I98-L119 HydrophobicContact CD1-CD2 4.12Å; I98-L119 HydrophobicContact CG1-CD2 4.01Å; I98-L119 HydrophobicContact CG2-CB 4.17Å; I98-L119 HydrophobicContact CG2-CD1 4.34Å; S99-L119 WeakPolarHBondContact O-CD2 3.42Å; S116-L119 PolarHBondContact O-N 2.85Å; S116-L119 VanDerWaalsContact O-N 3.17Å; L117-L119 PolarHBondContact O-N 3.05Å; L117-L119 VanDerWaalsContact O-N 3.11Å; L119-A121 PolarHBondContact O-N 3.06Å |
| 120 | W | 86.8 | Confident | 88.8 | Confident | 54 Ų | 54 | 65 Ų | 65 | 21% | 0.205 | 40% | 0.403 | C | S | . | . | trans | -89.9 | 103.2 | -175.4 | -178.4 | -117.1 | 0 | 0 | 0 | 111 | V35 L38 P39 S116 L117 P122 | V35-W120 HydrophobicContact CG1-CH2 3.57Å; V35-W120 HydrophobicContact CG1-CZ3 3.91Å; V35-W120 WeakPolarHBondContact O-CH2 3.21Å; L38-W120 HydrophobicContact CB-CD2 3.75Å; L38-W120 HydrophobicContact CB-CE3 3.61Å; L38-W120 HydrophobicContact CB-CG 4.44Å; L38-W120 HydrophobicContact CB-CH2 4.04Å; L38-W120 HydrophobicContact CB-CZ2 4.15Å; L38-W120 HydrophobicContact CB-CZ3 3.78Å; L38-W120 HydrophobicContact CD1-CD2 4.4Å; L38-W120 HydrophobicContact CD1-CE3 3.5Å; L38-W120 HydrophobicContact CD1-CZ3 3.64Å; L38-W120 HydrophobicContact CG-CE3 4.2Å; L38-W120 HydrophobicContact CG-CZ3 4.26Å; P39-W120 HydrophobicContact CB-CB 4.41Å; P39-W120 HydrophobicContact CB-CG 4.39Å; S116-W120 PolarHBondContact O-N 2.97Å; L117-W120 PolarHBondContact O-N 3.12Å; W120-P122 HydrophobicContact CH2-CG 4.49Å; W120-P122 HydrophobicContact CZ2-CB 4.38Å; W120-P122 HydrophobicContact CZ2-CG 3.75Å | ||
| 121 | A | 81.9 | Confident | 88.6 | Confident | 73 Ų | 73 | 67 Ų | 67 | 60% | 0.603 | 41% | 0.412 | S | S | * | . | trans | -133 | 99.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | L119 Q123 | L119-A121 PolarHBondContact O-N 3.06Å; A121-Q123 PolarHBondContact O-N 3.28Å | ||
| 122 | P | 70.8 | Confident | 88.5 | Confident | 92 Ų | 92 | 73.4 Ų | 73.4 | 60% | 0.597 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 117 | 178.1 | -21.9 | 29.3 | 0 | 0 | 0 | 110.1 | W120 | W120-P122 HydrophobicContact CH2-CG 4.49Å; W120-P122 HydrophobicContact CZ2-CB 4.38Å; W120-P122 HydrophobicContact CZ2-CG 3.75Å |
| 123 | Q | 71.3 | Confident | 88.4 | Confident | 101 Ų | 101 | 68.5 Ų | 68.5 | 47% | 0.472 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 139.9 | 174.7 | -63.8 | -144.5 | -30.4 | 0 | 0 | 109.5 | A121 | A121-Q123 PolarHBondContact O-N 3.28Š|
| 124 | P | 73.9 | Confident | 88.2 | Confident | 108 Ų | 108 | 69.4 Ų | 69.4 | 70% | 0.701 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 150.6 | 173.2 | 24.3 | -31.2 | 0 | 0 | 0 | 110.2 | A126 | P124-A126 PolarHBondContact O-N 2.71Å; P124-A126 VanDerWaalsContact O-N 3.12Å |
| 125 | P | 75 | Confident | 88 | Confident | 134 Ų | 134 | 67.1 Ų | 67.1 | 87% | 0.87 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 122.4 | 175.9 | -23 | 32.5 | 0 | 0 | 0 | 110.1 | ||
| 126 | A | 83.3 | Confident | 87.8 | Confident | 48 Ų | 48 | 65.7 Ų | 65.7 | 40% | 0.397 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 146.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | P93 P124 P152 | P93-A126 HydrophobicContact CB-CB 3.57Å; P93-A126 HydrophobicContact CG-CB 3.83Å; P124-A126 PolarHBondContact O-N 2.71Å; P124-A126 VanDerWaalsContact O-N 3.12Å; A126-P152 HydrophobicContact CB-CB 3.55Å |
| 127 | D | 89.6 | Confident | 87.6 | Confident | 110 Ų | 110 | 66 Ų | 66 | 59% | 0.588 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 131.7 | 173.3 | -72.7 | -23.9 | 0 | 0 | 0 | 109.8 | G129 K153 | D127-G129 PolarHBondContact O-N 2.84Å; D127-K153 HydrophobicContact CB-CB 4.13Å; D127-K153 HydrophobicContact CB-CD 4.28Å; D127-K153 WeakPolarHBondContact O-CB 3.38Å; D127-K153 PolarHBondContact O-N 3.37Å |
| 128 | P | 91.6 | Very high | 87.4 | Confident | 101 Ų | 101 | 62.2 Ų | 62.2 | 66% | 0.656 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 136.8 | 179.6 | 26.1 | -32.9 | 0 | 0 | 0 | 110.9 | I150 | P128-I150 HydrophobicContact CB-CG2 4.02Å |
| 129 | G | 91.3 | Very high | 87 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 28% | 0.278 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -163 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D127 I150 C151 | D127-G129 PolarHBondContact O-N 2.84Å; G129-I150 WeakPolarHBondContact O-CG2 3.44Å; G129-C151 VanDerWaalsContact CA-O 3.23Å; G129-C151 WeakPolarHBondContact CA-O 3.5Å; G129-C151 PolarHBondContact N-O 3.03Å |
| 130 | S | 91.9 | Very high | 86.3 | Confident | 127 Ų | 127 | 66.8 Ų | 66.8 | 89% | 0.888 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -14.3 | 178.1 | 59.3 | 0 | 0 | 0 | 0 | 114 | ||
| 131 | L | 94.1 | Very high | 86 | Confident | 47 Ų | 47 | 64.8 Ų | 64.8 | 25% | 0.246 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 141.5 | -179.2 | 179.9 | 65.9 | 0 | 0 | 0 | 110.1 | C151 T156 | L131-C151 HydrophobicContact CB-CB 4.18Å; L131-C151 HydrophobicContact CG-CB 4.47Å; L131-C151 WeakPolarHBondContact O-CB 3.28Å; L131-C151 PolarHBondContact O-N 3.17Å; L131-T156 VanDerWaalsContact CD2-C 3.47Å |
| 132 | R | 94.6 | Very high | 85.9 | Confident | 136 Ų | 136 | 62.9 Ų | 62.9 | 51% | 0.513 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134.8 | 168.6 | -76.5 | 175.8 | 155.1 | -102.3 | -7.9 | 109 | E148 E149 I150 | R132-E148 IonicContact NH1-OE2 3.89Å; R132-E149 WeakPolarHBondContact CA-O 3.35Å; R132-I150 HydrophobicContact CG-CG1 4.18Å |
| 133 | C | 93.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 148.2 | 177.7 | -68.2 | 0 | 0 | 0 | 0 | 110.9 | E148 E149 C151 C158 | C133-E148 VanDerWaalsContact O-CA 3.29Å; C133-E148 WeakPolarHBondContact O-CA 3.29Å; C133-E149 PolarHBondContact N-O 2.96Å; C133-E149 VanDerWaalsContact N-O 3.15Å; C133-E149 PolarHBondContact O-N 3.15Å; C133-C151 VanDerWaalsContact CB-SG 3.55Å; C133-C151 PolarHBondContact SG-SG 3.11Å; C133-C158 WeakPolarHBondContact CA-SG 3.47Å; C133-C158 HydrophobicContact CB-CB 3.68Å; C133-C158 WeakPolarHBondContact CB-SG 3.41Å; C133-C158 WeakPolarHBondContact SG-CA 3.36Å; C133-C158 WeakPolarHBondContact SG-CB 3.43Å; C133-C158 CovalentContact SG-SG 2.03Å; C133-C158 PolarHBondContact SG-SG 2.78Å |
| 134 | P | 92.2 | Very high | 85.4 | Confident | 31 Ų | 31 | 69.4 Ų | 69.4 | 20% | 0.201 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 139.7 | 164.7 | 28 | -34.2 | 0 | 0 | 0 | 109.4 | T146 Q177 G178 | P134-T146 WeakPolarHBondContact CB-OG1 3.49Å; P134-Q177 HydrophobicContact CB-CB 4.49Å; P134-Q177 HydrophobicContact CG-CB 4.49Å; P134-Q177 CarbonylContact O-C 3.54Å; P134-G178 WeakPolarHBondContact O-CA 3.21Å; P134-G178 PolarHBondContact O-N 2.97Å |
| 135 | V | 91.6 | Very high | 84.6 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 7% | 0.073 | 41% | 0.408 | C | S | . | . | trans | -119 | 129 | 172.1 | -74.3 | 0 | 0 | 0 | 0 | 110 | T147 E149 Q177 | V135-T147 VanDerWaalsContact CG2-O 3.23Å; V135-T147 WeakPolarHBondContact CG2-O 3.28Å; V135-T147 PolarHBondContact N-O 3.11Å; V135-T147 VanDerWaalsContact N-O 3.13Å; V135-E149 HydrophobicContact CB-CG 4.43Å; V135-E149 HydrophobicContact CG1-CB 4.03Å; V135-E149 HydrophobicContact CG1-CG 4.11Å; V135-E149 HydrophobicContact CG2-CB 4.16Å; V135-E149 HydrophobicContact CG2-CG 3.44Å; V135-E149 VanDerWaalsContact CG2-CG 3.44Å; V135-Q177 WeakPolarHBondContact CA-O 3.42Å | ||
| 136 | C | 90.8 | Very high | 84.1 | Confident | 10 Ų | 10 | 63.8 Ų | 63.8 | 7% | 0.068 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 135.6 | 179.3 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | C142 T146 V176 Q177 | C136-C142 HydrophobicContact CB-CB 3.8Å; C136-C142 WeakPolarHBondContact CB-SG 3.33Å; C136-C142 WeakPolarHBondContact SG-CB 3.49Å; C136-C142 CovalentContact SG-SG 2.02Å; C136-C142 PolarHBondContact SG-SG 2.98Å; C136-T146 HydrophobicContact CB-CG2 4.18Å; C136-V176 CarbonylContact O-C 3.42Å; C136-V176 WeakPolarHBondContact O-CA 3.34Å; C136-Q177 HydrophobicContact CB-CB 4Å; C136-Q177 HydrophobicContact CB-CG 4.39Å; C136-Q177 PolarHBondContact N-O 3.43Å; C136-Q177 PolarHBondContact O-N 2.91Å |
| 137 | L | 92.9 | Very high | 83.9 | Confident | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 118.5 | 161.6 | -65.8 | 178.1 | 0 | 0 | 0 | 108 | V32 I62 Q67 L174 R175 V176 | V32-L137 HydrophobicContact CG1-CB 3.79Å; V32-L137 HydrophobicContact CG2-CB 4.07Å; I62-L137 HydrophobicContact CG2-CD2 4.13Å; I62-L137 WeakPolarHBondContact O-CD1 2.95Å; Q67-L137 HydrophobicContact CB-CB 4.26Å; Q67-L137 HydrophobicContact CB-CD1 3.93Å; Q67-L137 HydrophobicContact CB-CG 4.24Å; L137-L174 HydrophobicContact CB-CD1 4.48Å; L137-L174 HydrophobicContact CD2-CD2 4.49Å; L137-R175 WeakPolarHBondContact CA-O 3.11Å; L137-V176 HydrophobicContact CD2-CB 4.05Å; L137-V176 HydrophobicContact CD2-CG1 3.74Å; L137-V176 HydrophobicContact CD2-CG2 3.69Å |
| 138 | S | 90.1 | Very high | 83.9 | Confident | 23 Ų | 23 | 65.6 Ų | 65.6 | 16% | 0.161 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 136.7 | -177.7 | -177.7 | 0 | 0 | 0 | 0 | 113.1 | E140 G141 L174 R175 M237 | S138-E140 VanDerWaalsContact C-N 3.34Å; S138-E140 PolarHBondContact OG-N 2.89Å; S138-G141 WeakPolarHBondContact CB-O 2.91Å; S138-G141 PolarHBondContact OG-N 3.05Å; S138-G141 PolarHBondContact OG-O 2.85Å; S138-L174 CarbonylContact O-C 3.54Å; S138-R175 PolarHBondContact N-O 3.04Å; S138-R175 PolarHBondContact O-N 2.79Å; S138-M237 WeakPolarHBondContact O-CE 3.5Å |
| 139 | M | 85.8 | Confident | 83.8 | Confident | 68 Ų | 68 | 64.6 Ų | 64.6 | 34% | 0.335 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -85.5 | -11.6 | 169.8 | -64.5 | 179.2 | -69.3 | 0 | 0 | 112.7 | Q30 N173 L174 M237 | Q30-M139 HydrophobicContact CB-SD 4.46Å; Q30-M139 HydrophobicContact CG-SD 3.65Å; M139-N173 WeakPolarHBondContact CA-O 3.22Å; M139-L174 HydrophobicContact CG-CD1 4.27Å; M139-M237 VanDerWaalsContact C-CE 3.47Å; M139-M237 VanDerWaalsContact O-CE 3.24Å; M139-M237 WeakPolarHBondContact O-CE 3.34Å |
| 140 | E | 79.9 | Confident | 83.9 | Confident | 94 Ų | 94 | 67.2 Ų | 67.2 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -106.8 | -14.9 | -175.5 | -57.4 | -174 | 171.8 | 0 | 0 | 112.1 | S138 T210 T235 | S138-E140 VanDerWaalsContact C-N 3.34Å; S138-E140 PolarHBondContact OG-N 2.89Å; E140-T210 VanDerWaalsContact O-CG2 3.3Å; E140-T210 WeakPolarHBondContact O-CG2 3.27Å; E140-T235 WeakPolarHBondContact CB-OG1 3.26Å; E140-T235 PolarHBondContact O-OG1 3.43Å |
| 141 | G | 79.6 | Confident | 84 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 13% | 0.134 | 33% | 0.332 | C | S | . | . | trans | 118.4 | 162.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112 | S138 | S138-G141 WeakPolarHBondContact CB-O 2.91Å; S138-G141 PolarHBondContact OG-N 3.05Å; S138-G141 PolarHBondContact OG-O 2.85Å | ||
| 142 | C | 80.4 | Confident | 83.9 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 22% | 0.216 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -103.7 | 124.2 | 176.2 | -60.2 | 0 | 0 | 0 | 0 | 108.6 | C136 T146 R175 | C136-C142 HydrophobicContact CB-CB 3.8Å; C136-C142 WeakPolarHBondContact CB-SG 3.33Å; C136-C142 WeakPolarHBondContact SG-CB 3.49Å; C136-C142 CovalentContact SG-SG 2.02Å; C136-C142 PolarHBondContact SG-SG 2.98Å; C142-T146 HydrophobicContact CB-CG2 4.17Å; C142-R175 HydrophobicContact CB-CG 4.2Å; C142-R175 WeakPolarHBondContact SG-CG 3.36Å |
| 143 | L | 68.7 | Low | 83.8 | Confident | 126 Ų | 126 | 60.4 Ų | 60.4 | 66% | 0.66 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 146.5 | -179.5 | -65.1 | 172 | 0 | 0 | 0 | 111 | G145 T146 | L143-G145 PolarHBondContact O-N 2.8Å; L143-T146 VanDerWaalsContact O-CG2 3.24Å; L143-T146 WeakPolarHBondContact O-CG2 3.33Å; L143-T146 PolarHBondContact O-N 2.76Å |
| 144 | E | 62.1 | Low | 83.6 | Confident | 205 Ų | 205 | 63.2 Ų | 63.2 | 96% | 0.958 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 133.6 | 170 | -70.9 | -172.4 | 155.8 | 0 | 0 | 110.7 | ||
| 145 | G | 58.8 | Low | 83.5 | Confident | 82 Ų | 82 | 62.5 Ų | 62.5 | 85% | 0.845 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | 20.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L143 | L143-G145 PolarHBondContact O-N 2.8Š|
| 146 | T | 63.6 | Low | 83.5 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 25% | 0.252 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -47.9 | 146.5 | 170.7 | 43.6 | 0 | 0 | 0 | 0 | 113.1 | P134 C136 C142 L143 E148 | P134-T146 WeakPolarHBondContact CB-OG1 3.49Å; C136-T146 HydrophobicContact CB-CG2 4.18Å; C142-T146 HydrophobicContact CB-CG2 4.17Å; L143-T146 VanDerWaalsContact O-CG2 3.24Å; L143-T146 WeakPolarHBondContact O-CG2 3.33Å; L143-T146 PolarHBondContact O-N 2.76Å; T146-E148 PolarHBondContact O-N 2.98Å |
| 147 | T | 79.8 | Confident | 83.6 | Confident | 94 Ų | 94 | 68.8 Ų | 68.8 | 58% | 0.577 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 123.1 | 171.2 | -51 | 0 | 0 | 0 | 0 | 110.2 | V135 | V135-T147 VanDerWaalsContact CG2-O 3.23Å; V135-T147 WeakPolarHBondContact CG2-O 3.28Å; V135-T147 PolarHBondContact N-O 3.11Å; V135-T147 VanDerWaalsContact N-O 3.13Å |
| 148 | E | 89 | Confident | 83.6 | Confident | 103 Ų | 103 | 71.3 Ų | 71.3 | 48% | 0.481 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 135.9 | 168.1 | -68.9 | -173.5 | 168 | 0 | 0 | 110.4 | R132 C133 T146 | R132-E148 IonicContact NH1-OE2 3.89Å; C133-E148 VanDerWaalsContact O-CA 3.29Å; C133-E148 WeakPolarHBondContact O-CA 3.29Å; T146-E148 PolarHBondContact O-N 2.98Å |
| 149 | E | 89.6 | Confident | 83.7 | Confident | 79 Ų | 79 | 70.6 Ų | 70.6 | 37% | 0.369 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 149.1 | 174.6 | -72.2 | -69.2 | 171.5 | 0 | 0 | 110.9 | R132 C133 V135 C151 | R132-E149 WeakPolarHBondContact CA-O 3.35Å; C133-E149 PolarHBondContact N-O 2.96Å; C133-E149 VanDerWaalsContact N-O 3.15Å; C133-E149 PolarHBondContact O-N 3.15Å; V135-E149 HydrophobicContact CB-CG 4.43Å; V135-E149 HydrophobicContact CG1-CB 4.03Å; V135-E149 HydrophobicContact CG1-CG 4.11Å; V135-E149 HydrophobicContact CG2-CB 4.16Å; V135-E149 HydrophobicContact CG2-CG 3.44Å; V135-E149 VanDerWaalsContact CG2-CG 3.44Å; E149-C151 PolarHBondContact O-N 3.11Å |
| 150 | I | 93.6 | Very high | 83.9 | Confident | 82 Ų | 82 | 68.9 Ų | 68.9 | 42% | 0.421 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 117.1 | 170.2 | -64.8 | 169.7 | 0 | 0 | 0 | 107.2 | P128 G129 R132 | P128-I150 HydrophobicContact CB-CG2 4.02Å; G129-I150 WeakPolarHBondContact O-CG2 3.44Å; R132-I150 HydrophobicContact CG-CG1 4.18Å |
| 151 | C | 93.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 148.3 | -179.6 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | G129 L131 C133 E149 T155 C179 | G129-C151 VanDerWaalsContact CA-O 3.23Å; G129-C151 WeakPolarHBondContact CA-O 3.5Å; G129-C151 PolarHBondContact N-O 3.03Å; L131-C151 HydrophobicContact CB-CB 4.18Å; L131-C151 HydrophobicContact CG-CB 4.47Å; L131-C151 WeakPolarHBondContact O-CB 3.28Å; L131-C151 PolarHBondContact O-N 3.17Å; C133-C151 VanDerWaalsContact CB-SG 3.55Å; C133-C151 PolarHBondContact SG-SG 3.11Å; E149-C151 PolarHBondContact O-N 3.11Å; C151-T155 HydrophobicContact CB-CG2 4.44Å; C151-T155 WeakPolarHBondContact CB-OG1 3.4Å; C151-C179 WeakPolarHBondContact CA-SG 3.49Å; C151-C179 HydrophobicContact CB-CB 3.55Å; C151-C179 WeakPolarHBondContact CB-SG 3.21Å; C151-C179 WeakPolarHBondContact SG-CB 3.35Å; C151-C179 CovalentContact SG-SG 2.03Å; C151-C179 PolarHBondContact SG-SG 3.19Å |
| 152 | P | 93.1 | Very high | 84.9 | Confident | 17 Ų | 17 | 64 Ų | 64 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 154.4 | 179.1 | 26.3 | -32.1 | 0 | 0 | 0 | 111.7 | P93 A126 G154 T155 | P93-P152 VanDerWaalsContact C-CG 3.45Å; P93-P152 HydrophobicContact CB-CB 3.67Å; P93-P152 HydrophobicContact CB-CG 3.54Å; P93-P152 HydrophobicContact CG-CB 3.57Å; P93-P152 HydrophobicContact CG-CG 3.63Å; P93-P152 WeakPolarHBondContact O-CG 3.35Å; A126-P152 HydrophobicContact CB-CB 3.55Å; P152-G154 PolarHBondContact O-N 3.03Å; P152-T155 HydrophobicContact CG-CG2 3.72Å; P152-T155 WeakPolarHBondContact O-CB 3.2Å; P152-T155 WeakPolarHBondContact O-CG2 3.22Å; P152-T155 PolarHBondContact O-N 3.25Å; P152-T155 VanDerWaalsContact O-N 3.14Å; P152-T155 PolarHBondContact O-OG1 3.42Å |
| 153 | K | 91.8 | Very high | 85.5 | Confident | 150 Ų | 150 | 62.5 Ų | 62.5 | 65% | 0.652 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 133.7 | 177.9 | -171.2 | 179.5 | -179.4 | -177.4 | 0 | 110.3 | D127 | D127-K153 HydrophobicContact CB-CB 4.13Å; D127-K153 HydrophobicContact CB-CD 4.28Å; D127-K153 WeakPolarHBondContact O-CB 3.38Å; D127-K153 PolarHBondContact O-N 3.37Å |
| 154 | G | 88.3 | Confident | 86.6 | Confident | 59 Ų | 59 | 60.6 Ų | 60.6 | 61% | 0.608 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.4 | -11.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | P152 | P152-G154 PolarHBondContact O-N 3.03Š|
| 155 | T | 91.6 | Very high | 88.1 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 10% | 0.104 | 30% | 0.295 | C | S | . | . | trans | -79.2 | 147 | 165.8 | 62.9 | 0 | 0 | 0 | 0 | 110.9 | C151 P152 C179 | C151-T155 HydrophobicContact CB-CG2 4.44Å; C151-T155 WeakPolarHBondContact CB-OG1 3.4Å; P152-T155 HydrophobicContact CG-CG2 3.72Å; P152-T155 WeakPolarHBondContact O-CB 3.2Å; P152-T155 WeakPolarHBondContact O-CG2 3.22Å; P152-T155 PolarHBondContact O-N 3.25Å; P152-T155 VanDerWaalsContact O-N 3.14Å; P152-T155 PolarHBondContact O-OG1 3.42Å; T155-C179 HydrophobicContact CG2-CB 3.9Å | ||
| 156 | T | 91.2 | Very high | 89.8 | Confident | 80 Ų | 80 | 49 Ų | 49 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | trans | -133.8 | -13.8 | -176 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | L131 M180 P181 | L131-T156 VanDerWaalsContact CD2-C 3.47Å; T156-M180 PolarHBondContact N-O 2.96Å; T156-M180 VanDerWaalsContact N-O 3.07Å; T156-P181 PolarHBondContact OG1-O 3.07Å | ||
| 157 | H | 92.3 | Very high | 91.3 | Very high | 73 Ų | 73 | 48.5 Ų | 48.5 | 34% | 0.338 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 157.8 | -175.3 | -57.5 | 85.2 | 0 | 0 | 0 | 112 | M180 P183 | H157-M180 PolarHBondContact N-O 2.87Å; H157-M180 VanDerWaalsContact N-O 3.11Å; H157-M180 PolarHBondContact O-N 3.11Å; H157-M180 VanDerWaalsContact O-O 3.13Å; H157-P183 WeakPolarHBondContact ND1-CD 3.49Å |
| 158 | C | 92.7 | Very high | 91.9 | Very high | 59 Ų | 59 | 45.5 Ų | 45.5 | 40% | 0.399 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 126.5 | 168.3 | -50.9 | 0 | 0 | 0 | 0 | 109 | C133 G178 | C133-C158 WeakPolarHBondContact CA-SG 3.47Å; C133-C158 HydrophobicContact CB-CB 3.68Å; C133-C158 WeakPolarHBondContact CB-SG 3.41Å; C133-C158 WeakPolarHBondContact SG-CA 3.36Å; C133-C158 WeakPolarHBondContact SG-CB 3.43Å; C133-C158 CovalentContact SG-SG 2.03Å; C133-C158 PolarHBondContact SG-SG 2.78Å; C158-G178 WeakPolarHBondContact CA-O 3.26Å |
| 159 | Y | 92.8 | Very high | 92.1 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.7 | 169.1 | 176.8 | -87.4 | 0 | 0 | 0 | 109.1 | L95 V176 Q177 G178 M180 L187 C203 | L95-Y159 HydrophobicContact CD1-CD1 3.53Å; L95-Y159 HydrophobicContact CD1-CE1 4.4Å; L95-Y159 HydrophobicContact CD1-CG 3.66Å; Y159-V176 HydrophobicContact CD1-CB 4.44Å; Y159-V176 HydrophobicContact CD1-CG1 4.13Å; Y159-V176 WeakPolarHBondContact CD1-O 3.38Å; Y159-V176 HydrophobicContact CE1-CB 3.94Å; Y159-V176 HydrophobicContact CE1-CG1 4Å; Y159-V176 WeakPolarHBondContact CE1-O 3.35Å; Y159-Q177 VanDerWaalsContact O-CA 3.26Å; Y159-Q177 WeakPolarHBondContact O-CA 3.48Å; Y159-G178 PolarHBondContact N-O 2.77Å; Y159-G178 PolarHBondContact O-N 2.87Å; Y159-M180 HydrophobicContact CD2-CE 3.74Å; Y159-M180 HydrophobicContact CD2-CG 4.45Å; Y159-M180 HydrophobicContact CE2-CE 4.46Å; Y159-M180 HydrophobicContact CG-CG 4.38Å; Y159-L187 HydrophobicContact CD1-CD2 4.37Å; Y159-L187 HydrophobicContact CD2-CB 4.32Å; Y159-L187 HydrophobicContact CE1-CB 4.2Å; Y159-L187 HydrophobicContact CE1-CD2 3.69Å; Y159-L187 HydrophobicContact CE2-CB 3.59Å; Y159-C203 WeakPolarHBondContact CE2-SG 3.39Å |
| 160 | D | 89.8 | Confident | 92.3 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 18% | 0.176 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 111.4 | 170 | -168.3 | -2.4 | 0 | 0 | 0 | 108.2 | R175 Q177 C203 | D160-R175 IonicContact OD1-CZ 2.84Å; D160-R175 IonicContact OD1-NE 3.81Å; D160-R175 PolarHBondContact OD1-NE 3.25Å; D160-R175 IonicContact OD1-NH2 2.98Å; D160-R175 PolarHBondContact OD1-NH2 3.28Å; D160-R175 IonicContact OD2-CZ 3.94Å; D160-R175 IonicContact OD2-NH2 3.85Å; D160-R175 PolarHBondContact OD2-NH2 3.13Å; D160-Q177 HydrophobicContact CB-CG 4.16Å; D160-Q177 WeakPolarHBondContact OD1-CG 3.45Å; D160-Q177 PolarHBondContact OD1-NE2 3.2Å; D160-Q177 PolarHBondContact OD2-NE2 3.09Å; D160-C203 WeakPolarHBondContact O-CB 3.36Å |
| 161 | G | 90.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 164.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V176 N202 | G161-V176 PolarHBondContact N-O 3.43Å; G161-V176 PolarHBondContact O-N 2.96Å; G161-N202 CarbonylContact C-O 3.22Å; G161-N202 WeakPolarHBondContact CA-O 3.24Å |
| 162 | L | 89.9 | Confident | 92 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.4 | 176.6 | -169.9 | 72.2 | 0 | 0 | 0 | 110 | N173 R175 E201 N202 F208 M237 | L162-N173 HydrophobicContact CD1-CB 4Å; L162-N173 HydrophobicContact CD2-CB 4.24Å; L162-N173 HydrophobicContact CG-CB 4.32Å; L162-R175 HydrophobicContact CD1-CB 4.39Å; L162-E201 WeakPolarHBondContact O-CA 3.39Å; L162-N202 PolarHBondContact N-O 3.39Å; L162-N202 PolarHBondContact O-N 2.77Å; L162-F208 HydrophobicContact CB-CD2 4.13Å; L162-F208 HydrophobicContact CB-CE2 4.02Å; L162-F208 HydrophobicContact CB-CZ 4.4Å; L162-F208 HydrophobicContact CD2-CB 4.24Å; L162-F208 HydrophobicContact CD2-CD1 3.28Å; L162-F208 HydrophobicContact CD2-CD2 3.82Å; L162-F208 HydrophobicContact CD2-CE1 3.4Å; L162-F208 HydrophobicContact CD2-CE2 3.93Å; L162-F208 HydrophobicContact CD2-CG 3.48Å; L162-F208 VanDerWaalsContact CD2-CG 3.48Å; L162-F208 HydrophobicContact CD2-CZ 3.72Å; L162-M237 HydrophobicContact CD1-CE 3.81Å; L162-M237 HydrophobicContact CD1-SD 3.28Å; L162-M237 WeakPolarHBondContact CD1-SD 3.39Å |
| 163 | L | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 123.6 | 168.9 | -58.9 | -174.7 | 0 | 0 | 0 | 109.8 | I62 L165 N173 L174 V176 L187 L188 M199 T200 E201 | I62-L163 HydrophobicContact CD1-CD1 3.76Å; L163-L165 HydrophobicContact CB-CD1 4.31Å; L163-N173 CarbonylContact O-C 3.58Å; L163-N173 WeakPolarHBondContact O-CA 3.42Å; L163-L174 HydrophobicContact CB-CB 4.38Å; L163-L174 PolarHBondContact N-O 2.83Å; L163-L174 PolarHBondContact O-N 2.96Å; L163-V176 HydrophobicContact CD1-CG2 3.88Å; L163-V176 HydrophobicContact CG-CG2 3.98Å; L163-L187 HydrophobicContact CD1-CD2 3.86Å; L163-L187 HydrophobicContact CD2-CD2 4.2Å; L163-L187 HydrophobicContact CG-CD2 4.28Å; L163-L188 HydrophobicContact CD1-CD2 4.33Å; L163-L188 HydrophobicContact CD2-CD1 4.24Å; L163-L188 HydrophobicContact CD2-CD2 3.95Å; L163-L188 HydrophobicContact CD2-CG 3.99Å; L163-M199 HydrophobicContact CD1-CE 4.44Å; L163-T200 WeakPolarHBondContact CA-O 3.36Å; L163-E201 HydrophobicContact CD2-CB 3.61Å |
| 164 | R | 91.6 | Very high | 91.8 | Very high | 86 Ų | 86 | 37.1 Ų | 37.1 | 33% | 0.325 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 116.4 | 175 | -179.6 | -172.9 | -174.1 | 145.9 | 14.4 | 109 | R166 M199 T200 E239 | R164-R166 HydrophobicContact CG-CG 4.11Å; R164-R166 VanDerWaalsContact NE-CZ 3.3Å; R164-M199 VanDerWaalsContact O-CA 3.31Å; R164-M199 WeakPolarHBondContact O-CA 3.45Å; R164-T200 WeakPolarHBondContact CB-OG1 3.47Å; R164-T200 PolarHBondContact N-O 3.34Å; R164-T200 PolarHBondContact O-N 2.83Å; R164-E239 IonicContact CZ-OE1 3.54Å; R164-E239 IonicContact CZ-OE2 2.66Å; R164-E239 IonicContact NE-OE1 3.79Å; R164-E239 IonicContact NE-OE2 3.5Å; R164-E239 IonicContact NH1-OE1 3.42Å; R164-E239 IonicContact NH1-OE2 3Å; R164-E239 PolarHBondContact NH1-OE2 3.28Å; R164-E239 IonicContact NH2-OE1 3.98Å; R164-E239 PolarHBondContact NH2-OE1 3.35Å; R164-E239 IonicContact NH2-OE2 3.34Å; R164-E239 PolarHBondContact NH2-OE2 2.03Å |
| 165 | L | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125.1 | -179 | -54.6 | 92.3 | 0 | 0 | 0 | 110.6 | V71 L163 I170 S172 L174 V197 G198 M199 | V71-L165 HydrophobicContact CB-CD2 4.5Å; V71-L165 HydrophobicContact CG1-CD2 4.13Å; V71-L165 HydrophobicContact CG2-CD2 3.8Å; L163-L165 HydrophobicContact CB-CD1 4.31Å; L165-I170 HydrophobicContact CB-CG2 3.79Å; L165-S172 PolarHBondContact N-O 2.8Å; L165-S172 PolarHBondContact O-N 3.14Å; L165-S172 VanDerWaalsContact O-N 3.11Å; L165-L174 HydrophobicContact CD1-CB 4.02Å; L165-V197 HydrophobicContact CB-CG1 4.05Å; L165-V197 HydrophobicContact CD2-CG1 4.41Å; L165-G198 WeakPolarHBondContact CA-O 3.34Å; L165-M199 HydrophobicContact CD2-CE 3.94Å; L165-M199 HydrophobicContact CG-CE 4.27Å; L165-M199 HydrophobicContact CG-CG 4.49Å |
| 166 | R | 94.6 | Very high | 92 | Very high | 43 Ų | 43 | 35 Ų | 35 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 134.3 | -174.8 | -61.8 | -67.6 | 179 | -80.1 | 5.3 | 110.6 | R164 I170 S172 N173 V197 G198 E239 | R164-R166 HydrophobicContact CG-CG 4.11Å; R164-R166 VanDerWaalsContact NE-CZ 3.3Å; R166-I170 CarbonylContact C-O 3.56Å; R166-I170 WeakPolarHBondContact CA-O 3.43Å; R166-S172 VanDerWaalsContact NH1-C 3.31Å; R166-S172 PolarHBondContact NH1-O 2.98Å; R166-N173 PolarHBondContact NH1-OD1 2.83Å; R166-N173 PolarHBondContact NH2-OD1 2.74Å; R166-V197 CarbonylContact O-C 3.57Å; R166-G198 PolarHBondContact N-O 3.12Å; R166-G198 WeakPolarHBondContact O-CA 3.26Å; R166-G198 PolarHBondContact O-N 2.78Å; R166-E239 IonicContact CZ-OE1 2.78Å; R166-E239 IonicContact NH2-OE1 3.2Å; R166-E239 PolarHBondContact NH2-OE1 3.15Å |
| 167 | G | 95.8 | Very high | 92.1 | Very high | 32 Ų | 32 | 32.1 Ų | 32.1 | 33% | 0.33 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 109.7 | 166.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G169 I170 P196 | G167-G169 PolarHBondContact O-N 3.07Å; G167-G169 VanDerWaalsContact O-N 3.14Å; G167-I170 PolarHBondContact N-O 3.1Å; G167-I170 WeakPolarHBondContact O-CA 3.38Å; G167-I170 VanDerWaalsContact O-CB 3.32Å; G167-I170 WeakPolarHBondContact O-CB 3.33Å; G167-I170 PolarHBondContact O-N 2.7Å; G167-P196 CarbonylContact C-O 3.44Å; G167-P196 WeakPolarHBondContact CA-O 3.25Å |
| 168 | G | 92 | Very high | 92.1 | Very high | 30 Ų | 30 | 28.7 Ų | 28.7 | 31% | 0.309 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 27.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T28 S73 I170 P196 | T28-G168 VanDerWaalsContact CG2-O 3.3Å; T28-G168 WeakPolarHBondContact CG2-O 3.4Å; S73-G168 WeakPolarHBondContact OG-CA 3.32Å; S73-G168 PolarHBondContact OG-O 2.82Å; G168-I170 VanDerWaalsContact C-N 3.26Å; G168-I170 PolarHBondContact O-N 2.8Å; G168-P196 PolarHBondContact N-O 3.04Å; G168-P196 VanDerWaalsContact N-O 3.14Å |
| 169 | G | 92.8 | Very high | 92.2 | Very high | 64 Ų | 64 | 26.2 Ų | 26.2 | 66% | 0.66 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 1.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115 | G167 | G167-G169 PolarHBondContact O-N 3.07Å; G167-G169 VanDerWaalsContact O-N 3.14Å |
| 170 | I | 94.3 | Very high | 92.1 | Very high | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.036 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 130.2 | 173.9 | -55.8 | -61 | 0 | 0 | 0 | 109.8 | T28 V71 L165 R166 G167 G168 V197 | T28-I170 HydrophobicContact CG2-CD1 3.95Å; V71-I170 HydrophobicContact CG1-CD1 4.21Å; V71-I170 HydrophobicContact CG1-CG1 4.12Å; V71-I170 HydrophobicContact CG1-CG2 4.45Å; L165-I170 HydrophobicContact CB-CG2 3.79Å; R166-I170 CarbonylContact C-O 3.56Å; R166-I170 WeakPolarHBondContact CA-O 3.43Å; G167-I170 PolarHBondContact N-O 3.1Å; G167-I170 WeakPolarHBondContact O-CA 3.38Å; G167-I170 VanDerWaalsContact O-CB 3.32Å; G167-I170 WeakPolarHBondContact O-CB 3.33Å; G167-I170 PolarHBondContact O-N 2.7Å; G168-I170 VanDerWaalsContact C-N 3.26Å; G168-I170 PolarHBondContact O-N 2.8Å; I170-V197 HydrophobicContact CB-CG1 4.47Å; I170-V197 HydrophobicContact CB-CG2 4.44Å; I170-V197 HydrophobicContact CG1-CG2 4.08Å |
| 171 | F | 90.5 | Very high | 92.1 | Very high | 152 Ų | 152 | 27.1 Ų | 27.1 | 67% | 0.667 | 16% | 0.16 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 95.4 | 172.7 | -171.5 | -84.8 | 0 | 0 | 0 | 109.2 | ||
| 172 | S | 88.9 | Confident | 91.9 | Very high | 15 Ų | 15 | 31.9 Ų | 31.9 | 11% | 0.105 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 156.9 | -169.6 | 64 | 0 | 0 | 0 | 0 | 113.1 | Q30 L165 R166 | Q30-S172 PolarHBondContact NE2-OG 3.26Å; Q30-S172 PolarHBondContact OE1-OG 2.86Å; L165-S172 PolarHBondContact N-O 2.8Å; L165-S172 PolarHBondContact O-N 3.14Å; L165-S172 VanDerWaalsContact O-N 3.11Å; R166-S172 VanDerWaalsContact NH1-C 3.31Å; R166-S172 PolarHBondContact NH1-O 2.98Å |
| 173 | N | 89 | Confident | 91.6 | Very high | 17 Ų | 17 | 36.2 Ų | 36.2 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 144.4 | 166.7 | -58.6 | -25.8 | 0 | 0 | 0 | 108.7 | M139 L162 L163 R166 M237 | M139-N173 WeakPolarHBondContact CA-O 3.22Å; L162-N173 HydrophobicContact CD1-CB 4Å; L162-N173 HydrophobicContact CD2-CB 4.24Å; L162-N173 HydrophobicContact CG-CB 4.32Å; L163-N173 CarbonylContact O-C 3.58Å; L163-N173 WeakPolarHBondContact O-CA 3.42Å; R166-N173 PolarHBondContact NH1-OD1 2.83Å; R166-N173 PolarHBondContact NH2-OD1 2.74Å; N173-M237 HydrophobicContact CB-CB 4.45Å; N173-M237 HydrophobicContact CB-CE 3.84Å; N173-M237 WeakPolarHBondContact O-CE 3Å |
| 174 | L | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 112.3 | 178.1 | 178.2 | 72.3 | 0 | 0 | 0 | 108.6 | V32 I62 S69 L137 S138 M139 L163 L165 V176 | V32-L174 HydrophobicContact CG2-CD1 4.08Å; I62-L174 HydrophobicContact CD1-CD2 3.64Å; S69-L174 WeakPolarHBondContact OG-CD2 3.28Å; L137-L174 HydrophobicContact CB-CD1 4.48Å; L137-L174 HydrophobicContact CD2-CD2 4.49Å; S138-L174 CarbonylContact O-C 3.54Å; M139-L174 HydrophobicContact CG-CD1 4.27Å; L163-L174 HydrophobicContact CB-CB 4.38Å; L163-L174 PolarHBondContact N-O 2.83Å; L163-L174 PolarHBondContact O-N 2.96Å; L165-L174 HydrophobicContact CD1-CB 4.02Å; L174-V176 HydrophobicContact CD2-CG2 3.92Å; L174-V176 HydrophobicContact CG-CG2 3.89Å |
| 175 | R | 90.4 | Very high | 91.1 | Very high | 32 Ų | 32 | 38.3 Ų | 38.3 | 12% | 0.121 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 133.1 | 169.8 | -169.4 | 65 | 178.2 | -136.9 | -6.6 | 108.4 | L137 S138 C142 D160 L162 M205 M237 | L137-R175 WeakPolarHBondContact CA-O 3.11Å; S138-R175 PolarHBondContact N-O 3.04Å; S138-R175 PolarHBondContact O-N 2.79Å; C142-R175 HydrophobicContact CB-CG 4.2Å; C142-R175 WeakPolarHBondContact SG-CG 3.36Å; D160-R175 IonicContact OD1-CZ 2.84Å; D160-R175 IonicContact OD1-NE 3.81Å; D160-R175 PolarHBondContact OD1-NE 3.25Å; D160-R175 IonicContact OD1-NH2 2.98Å; D160-R175 PolarHBondContact OD1-NH2 3.28Å; D160-R175 IonicContact OD2-CZ 3.94Å; D160-R175 IonicContact OD2-NH2 3.85Å; D160-R175 PolarHBondContact OD2-NH2 3.13Å; L162-R175 HydrophobicContact CD1-CB 4.39Å; R175-M205 PolarHBondContact NH2-SD 2.9Å; R175-M237 HydrophobicContact CB-CE 4.25Å; R175-M237 HydrophobicContact CB-SD 3.85Å |
| 176 | V | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 117.4 | -178.5 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | L95 C136 L137 Y159 G161 L163 L174 L187 | L95-V176 HydrophobicContact CD1-CG1 4.15Å; L95-V176 HydrophobicContact CD2-CG1 3.7Å; C136-V176 CarbonylContact O-C 3.42Å; C136-V176 WeakPolarHBondContact O-CA 3.34Å; L137-V176 HydrophobicContact CD2-CB 4.05Å; L137-V176 HydrophobicContact CD2-CG1 3.74Å; L137-V176 HydrophobicContact CD2-CG2 3.69Å; Y159-V176 HydrophobicContact CD1-CB 4.44Å; Y159-V176 HydrophobicContact CD1-CG1 4.13Å; Y159-V176 WeakPolarHBondContact CD1-O 3.38Å; Y159-V176 HydrophobicContact CE1-CB 3.94Å; Y159-V176 HydrophobicContact CE1-CG1 4Å; Y159-V176 WeakPolarHBondContact CE1-O 3.35Å; G161-V176 PolarHBondContact N-O 3.43Å; G161-V176 PolarHBondContact O-N 2.96Å; L163-V176 HydrophobicContact CD1-CG2 3.88Å; L163-V176 HydrophobicContact CG-CG2 3.98Å; L174-V176 HydrophobicContact CD2-CG2 3.92Å; L174-V176 HydrophobicContact CG-CG2 3.89Å; V176-L187 HydrophobicContact CB-CD2 4.18Å; V176-L187 HydrophobicContact CG1-CD2 3.73Å; V176-L187 HydrophobicContact CG2-CD2 4.36Å |
| 177 | Q | 93 | Very high | 90.8 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140 | 168 | -68.3 | 174.7 | -33.5 | 0 | 0 | 109.1 | S64 P134 V135 C136 Y159 D160 | S64-Q177 PolarHBondContact OG-O 2.95Å; P134-Q177 HydrophobicContact CB-CB 4.49Å; P134-Q177 HydrophobicContact CG-CB 4.49Å; P134-Q177 CarbonylContact O-C 3.54Å; V135-Q177 WeakPolarHBondContact CA-O 3.42Å; C136-Q177 HydrophobicContact CB-CB 4Å; C136-Q177 HydrophobicContact CB-CG 4.39Å; C136-Q177 PolarHBondContact N-O 3.43Å; C136-Q177 PolarHBondContact O-N 2.91Å; Y159-Q177 VanDerWaalsContact O-CA 3.26Å; Y159-Q177 WeakPolarHBondContact O-CA 3.48Å; D160-Q177 HydrophobicContact CB-CG 4.16Å; D160-Q177 WeakPolarHBondContact OD1-CG 3.45Å; D160-Q177 PolarHBondContact OD1-NE2 3.2Å; D160-Q177 PolarHBondContact OD2-NE2 3.09Å |
| 178 | G | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.6 | -171 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | P134 C158 Y159 | P134-G178 WeakPolarHBondContact O-CA 3.21Å; P134-G178 PolarHBondContact O-N 2.97Å; C158-G178 WeakPolarHBondContact CA-O 3.26Å; Y159-G178 PolarHBondContact N-O 2.77Å; Y159-G178 PolarHBondContact O-N 2.87Å |
| 179 | C | 93.4 | Very high | 90.5 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 138.2 | -175.5 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | L95 C151 T155 | L95-C179 PolarHBondContact N-O 3.13Å; L95-C179 VanDerWaalsContact N-O 3.1Å; C151-C179 WeakPolarHBondContact CA-SG 3.49Å; C151-C179 HydrophobicContact CB-CB 3.55Å; C151-C179 WeakPolarHBondContact CB-SG 3.21Å; C151-C179 WeakPolarHBondContact SG-CB 3.35Å; C151-C179 CovalentContact SG-SG 2.03Å; C151-C179 PolarHBondContact SG-SG 3.19Å; T155-C179 HydrophobicContact CG2-CB 3.9Å |
| 180 | M | 92.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 145.4 | -178.8 | -109.3 | -104.8 | -80.6 | 0 | 0 | 112.7 | R90 L95 T156 H157 Y159 Q182 V184 | R90-M180 PolarHBondContact NH1-SD 2.82Å; L95-M180 HydrophobicContact CD1-CG 4.06Å; T156-M180 PolarHBondContact N-O 2.96Å; T156-M180 VanDerWaalsContact N-O 3.07Å; H157-M180 PolarHBondContact N-O 2.87Å; H157-M180 VanDerWaalsContact N-O 3.11Å; H157-M180 PolarHBondContact O-N 3.11Å; H157-M180 VanDerWaalsContact O-O 3.13Å; Y159-M180 HydrophobicContact CD2-CE 3.74Å; Y159-M180 HydrophobicContact CD2-CG 4.45Å; Y159-M180 HydrophobicContact CE2-CE 4.46Å; Y159-M180 HydrophobicContact CG-CG 4.38Å; M180-Q182 VanDerWaalsContact C-N 3.27Å; M180-Q182 PolarHBondContact O-N 3.18Å; M180-V184 WeakPolarHBondContact CE-O 3Å |
| 181 | P | 89.4 | Confident | 90.3 | Very high | 57 Ų | 57 | 40.7 Ų | 40.7 | 37% | 0.37 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -75.4 | -12.8 | 178.9 | 30 | -35.9 | 0 | 0 | 0 | 113.9 | T156 | T156-P181 PolarHBondContact OG1-O 3.07Š|
| 182 | Q | 86.4 | Confident | 90.5 | Very high | 102 Ų | 102 | 40.6 Ų | 40.6 | 48% | 0.477 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -138.7 | 150.8 | -174.3 | -62.6 | 179.4 | 13.5 | 0 | 0 | 110.9 | M180 V184 | M180-Q182 VanDerWaalsContact C-N 3.27Å; M180-Q182 PolarHBondContact O-N 3.18Å; Q182-V184 PolarHBondContact O-N 3.46Å |
| 183 | P | 82.8 | Confident | 90.8 | Very high | 94 Ų | 94 | 47.1 Ų | 47.1 | 61% | 0.61 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -77.1 | 6.1 | -179.4 | 28.4 | -31 | 0 | 0 | 0 | 114.4 | H157 | H157-P183 WeakPolarHBondContact ND1-CD 3.49Š|
| 184 | V | 85.1 | Confident | 91.2 | Very high | 78 Ų | 78 | 46.6 Ų | 46.6 | 47% | 0.473 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -93.4 | 140.7 | -169.2 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | M180 Q182 N186 | M180-V184 WeakPolarHBondContact CE-O 3Å; Q182-V184 PolarHBondContact O-N 3.46Å; V184-N186 VanDerWaalsContact C-N 3.29Å; V184-N186 HydrophobicContact CB-CB 4.34Å; V184-N186 HydrophobicContact CG1-CB 4.03Å; V184-N186 PolarHBondContact O-N 3.1Å |
| 185 | C | 89.2 | Confident | 91.4 | Very high | 52 Ų | 52 | 48.1 Ų | 48.1 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -68.9 | 87.8 | 166.3 | -168.3 | 0 | 0 | 0 | 0 | 109.4 | C203 | C185-C203 VanDerWaalsContact CA-SG 3.54Å; C185-C203 HydrophobicContact CB-CB 3.6Å; C185-C203 WeakPolarHBondContact CB-SG 3.26Å; C185-C203 WeakPolarHBondContact SG-CB 3.05Å; C185-C203 PolarHBondContact SG-N 3Å; C185-C203 CovalentContact SG-SG 2.03Å; C185-C203 PolarHBondContact SG-SG 2.75Å |
| 186 | N | 89.9 | Confident | 91.7 | Very high | 41 Ų | 41 | 48.8 Ų | 48.8 | 22% | 0.219 | 29% | 0.287 | C | S | . | . | trans | -151.3 | 30.8 | -173.9 | -170.5 | 33.8 | 0 | 0 | 0 | 112 | R90 V184 L188 N189 G190 E201 | R90-N186 PolarHBondContact NH2-O 2.92Å; V184-N186 VanDerWaalsContact C-N 3.29Å; V184-N186 HydrophobicContact CB-CB 4.34Å; V184-N186 HydrophobicContact CG1-CB 4.03Å; V184-N186 PolarHBondContact O-N 3.1Å; N186-L188 PolarHBondContact O-N 2.96Å; N186-N189 PolarHBondContact ND2-OD1 2.75Å; N186-N189 PolarHBondContact O-N 3.48Å; N186-N189 WeakPolarHBondContact OD1-CA 3.38Å; N186-N189 PolarHBondContact OD1-N 3.05Å; N186-G190 PolarHBondContact OD1-N 2.79Å; N186-E201 VanDerWaalsContact C-OE2 3.31Å; N186-E201 VanDerWaalsContact CA-OE1 3.28Å; N186-E201 WeakPolarHBondContact CA-OE1 3.46Å | ||
| 187 | L | 91.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -43.1 | 178.7 | 172 | 55.2 | 0 | 0 | 0 | 111.1 | R90 L95 Y159 L163 V176 N189 E201 | R90-L187 PolarHBondContact NE-O 2.65Å; L95-L187 HydrophobicContact CB-CD1 3.99Å; L95-L187 HydrophobicContact CD1-CD1 4.18Å; L95-L187 HydrophobicContact CD1-CD2 4.46Å; Y159-L187 HydrophobicContact CD1-CD2 4.37Å; Y159-L187 HydrophobicContact CD2-CB 4.32Å; Y159-L187 HydrophobicContact CE1-CB 4.2Å; Y159-L187 HydrophobicContact CE1-CD2 3.69Å; Y159-L187 HydrophobicContact CE2-CB 3.59Å; L163-L187 HydrophobicContact CD1-CD2 3.86Å; L163-L187 HydrophobicContact CD2-CD2 4.2Å; L163-L187 HydrophobicContact CG-CD2 4.28Å; V176-L187 HydrophobicContact CB-CD2 4.18Å; V176-L187 HydrophobicContact CG1-CD2 3.73Å; V176-L187 HydrophobicContact CG2-CD2 4.36Å; L187-N189 PolarHBondContact O-N 2.79Å; L187-E201 WeakPolarHBondContact CA-OE2 3.22Å; L187-E201 WeakPolarHBondContact CB-OE2 3.32Å; L187-E201 PolarHBondContact N-OE2 2.88Å |
| 188 | L | 92.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13 | 179.9 | -60.2 | 179.6 | 0 | 0 | 0 | 114.1 | L97 L163 N186 G190 T191 M199 E201 | L97-L188 HydrophobicContact CD2-CD2 3.83Å; L163-L188 HydrophobicContact CD1-CD2 4.33Å; L163-L188 HydrophobicContact CD2-CD1 4.24Å; L163-L188 HydrophobicContact CD2-CD2 3.95Å; L163-L188 HydrophobicContact CD2-CG 3.99Å; N186-L188 PolarHBondContact O-N 2.96Å; L188-G190 PolarHBondContact O-N 3.18Å; L188-T191 WeakPolarHBondContact CB-O 2.96Å; L188-T191 WeakPolarHBondContact O-CB 3.41Å; L188-T191 PolarHBondContact O-N 2.78Å; L188-T191 PolarHBondContact O-OG1 3.41Å; L188-M199 HydrophobicContact CD1-CB 3.98Å; L188-M199 HydrophobicContact CD2-CB 4.39Å; L188-M199 HydrophobicContact CD2-CE 3.79Å; L188-M199 HydrophobicContact CD2-SD 4.43Å; L188-E201 HydrophobicContact CD1-CB 3.78Å; L188-E201 HydrophobicContact CD1-CG 4.04Å; L188-E201 HydrophobicContact CG-CB 4.05Å; L188-E201 HydrophobicContact CG-CG 4.25Å; L188-E201 PolarHBondContact N-OE2 3.05Å |
| 189 | N | 89.3 | Confident | 92.1 | Very high | 98 Ų | 98 | 49 Ų | 49 | 52% | 0.524 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 41.4 | -179 | -162.6 | 24.7 | 0 | 0 | 0 | 112.9 | H89 N186 L187 T191 | H89-N189 WeakPolarHBondContact O-CB 3.45Å; H89-N189 PolarHBondContact O-ND2 2.84Å; N186-N189 PolarHBondContact ND2-OD1 2.75Å; N186-N189 PolarHBondContact O-N 3.48Å; N186-N189 WeakPolarHBondContact OD1-CA 3.38Å; N186-N189 PolarHBondContact OD1-N 3.05Å; L187-N189 PolarHBondContact O-N 2.79Å; N189-T191 VanDerWaalsContact C-N 3.25Å; N189-T191 PolarHBondContact O-N 2.84Å |
| 190 | G | 89 | Confident | 92.1 | Very high | 58 Ų | 58 | 52.6 Ų | 52.6 | 60% | 0.598 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 0.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N186 L188 Q192 | N186-G190 PolarHBondContact OD1-N 2.79Å; L188-G190 PolarHBondContact O-N 3.18Å; G190-Q192 PolarHBondContact O-N 2.02Å |
| 191 | T | 93.6 | Very high | 92 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 16% | 0.16 | 33% | 0.325 | C | S | . | . | trans | -68.7 | 118.4 | 174.2 | -52.8 | 0 | 0 | 0 | 0 | 110 | H89 L188 N189 I194 | H89-T191 WeakPolarHBondContact ND1-CG2 3.37Å; H89-T191 PolarHBondContact ND1-OG1 3.28Å; L188-T191 WeakPolarHBondContact CB-O 2.96Å; L188-T191 WeakPolarHBondContact O-CB 3.41Å; L188-T191 PolarHBondContact O-N 2.78Å; L188-T191 PolarHBondContact O-OG1 3.41Å; N189-T191 VanDerWaalsContact C-N 3.25Å; N189-T191 PolarHBondContact O-N 2.84Å; T191-I194 HydrophobicContact CG2-CD1 3.99Å; T191-I194 HydrophobicContact CG2-CG1 3.57Å | ||
| 192 | Q | 94.6 | Very high | 92 | Very high | 150 Ų | 150 | 54 Ų | 54 | 70% | 0.701 | 32% | 0.319 | S | S | * | . | trans | -105.3 | -23.4 | 178.9 | -66.2 | 179.5 | -2.2 | 0 | 0 | 113 | G190 G198 M199 | G190-Q192 PolarHBondContact O-N 2.02Å; Q192-G198 CarbonylContact O-C 3.5Å; Q192-G198 WeakPolarHBondContact O-CA 3.47Å; Q192-M199 PolarHBondContact O-N 2.86Å | ||
| 193 | E | 96 | Very high | 92.1 | Very high | 152 Ų | 152 | 51 Ų | 51 | 71% | 0.71 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 139.9 | -178.3 | -64.5 | -175.7 | 167.4 | 0 | 0 | 109.9 | V197 | E193-V197 WeakPolarHBondContact CA-O 3.43Å |
| 194 | I | 97.2 | Very high | 92.2 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 112.6 | 170.6 | -58.6 | 174.8 | 0 | 0 | 0 | 106.6 | T58 M60 H89 L97 T101 T191 V197 M199 | T58-I194 HydrophobicContact CG2-CG2 4.04Å; T58-I194 WeakPolarHBondContact CG2-O 3.13Å; M60-I194 HydrophobicContact CE-CB 3.48Å; M60-I194 VanDerWaalsContact CE-CB 3.48Å; M60-I194 HydrophobicContact CE-CD1 4.35Å; M60-I194 HydrophobicContact CE-CG1 4.43Å; M60-I194 HydrophobicContact CE-CG2 3.67Å; M60-I194 WeakPolarHBondContact CE-O 3.02Å; M60-I194 HydrophobicContact CG-CD1 4.28Å; M60-I194 HydrophobicContact CG-CG2 4.11Å; M60-I194 HydrophobicContact SD-CB 4.14Å; M60-I194 HydrophobicContact SD-CD1 3.84Å; M60-I194 HydrophobicContact SD-CG2 4.27Å; H89-I194 WeakPolarHBondContact NE2-CD1 3.48Å; L97-I194 HydrophobicContact CD2-CD1 4.48Å; T101-I194 HydrophobicContact CG2-CG2 3.99Å; T191-I194 HydrophobicContact CG2-CD1 3.99Å; T191-I194 HydrophobicContact CG2-CG1 3.57Å; I194-V197 PolarHBondContact N-O 2.82Å; I194-V197 PolarHBondContact O-N 2.61Å; I194-V197 VanDerWaalsContact O-N 3.13Å; I194-M199 HydrophobicContact CD1-SD 3.73Å; I194-M199 HydrophobicContact CG1-SD 4.21Å |
| 195 | G | 96.2 | Very high | 91.4 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 34% | 0.34 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -128.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T58 V197 | T58-G195 WeakPolarHBondContact OG1-CA 3.01Å; G195-V197 VanDerWaalsContact C-N 3.29Å |
| 196 | P | 96.6 | Very high | 90.5 | Very high | 46 Ų | 46 | 58.2 Ų | 58.2 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 5.5 | 179.2 | 38.7 | -32.8 | 0 | 0 | 0 | 112.9 | Q56 T58 S73 G167 G168 | Q56-P196 VanDerWaalsContact NE2-CD 3.27Å; T58-P196 VanDerWaalsContact OG1-CD 3.23Å; T58-P196 WeakPolarHBondContact OG1-CD 3.28Å; S73-P196 WeakPolarHBondContact OG-CG 3.49Å; G167-P196 CarbonylContact C-O 3.44Å; G167-P196 WeakPolarHBondContact CA-O 3.25Å; G168-P196 PolarHBondContact N-O 3.04Å; G168-P196 VanDerWaalsContact N-O 3.14Å |
| 197 | V | 97.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 111.9 | -173 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | M60 L165 R166 I170 E193 I194 G195 M199 | M60-V197 HydrophobicContact CE-CB 3.6Å; M60-V197 HydrophobicContact CE-CG1 3.97Å; M60-V197 HydrophobicContact CE-CG2 4Å; L165-V197 HydrophobicContact CB-CG1 4.05Å; L165-V197 HydrophobicContact CD2-CG1 4.41Å; R166-V197 CarbonylContact O-C 3.57Å; I170-V197 HydrophobicContact CB-CG1 4.47Å; I170-V197 HydrophobicContact CB-CG2 4.44Å; I170-V197 HydrophobicContact CG1-CG2 4.08Å; E193-V197 WeakPolarHBondContact CA-O 3.43Å; I194-V197 PolarHBondContact N-O 2.82Å; I194-V197 PolarHBondContact O-N 2.61Å; I194-V197 VanDerWaalsContact O-N 3.13Å; G195-V197 VanDerWaalsContact C-N 3.29Å; V197-M199 HydrophobicContact CG1-CG 4.42Å |
| 198 | G | 96.8 | Very high | 89 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 22% | 0.216 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 143.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L165 R166 Q192 | L165-G198 WeakPolarHBondContact CA-O 3.34Å; R166-G198 PolarHBondContact N-O 3.12Å; R166-G198 WeakPolarHBondContact O-CA 3.26Å; R166-G198 PolarHBondContact O-N 2.78Å; Q192-G198 CarbonylContact O-C 3.5Å; Q192-G198 WeakPolarHBondContact O-CA 3.47Å |
| 199 | M | 94.4 | Very high | 88.7 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133.7 | -175.2 | -59.8 | -178.7 | 76.8 | 0 | 0 | 109.9 | M60 I62 L163 R164 L165 L188 Q192 I194 V197 | M60-M199 HydrophobicContact CE-SD 4.33Å; M60-M199 HydrophobicContact SD-CE 4.24Å; M60-M199 HydrophobicContact SD-SD 3.66Å; M60-M199 VanDerWaalsContact SD-SD 3.66Å; I62-M199 HydrophobicContact CD1-CE 4.38Å; L163-M199 HydrophobicContact CD1-CE 4.44Å; R164-M199 VanDerWaalsContact O-CA 3.31Å; R164-M199 WeakPolarHBondContact O-CA 3.45Å; L165-M199 HydrophobicContact CD2-CE 3.94Å; L165-M199 HydrophobicContact CG-CE 4.27Å; L165-M199 HydrophobicContact CG-CG 4.49Å; L188-M199 HydrophobicContact CD1-CB 3.98Å; L188-M199 HydrophobicContact CD2-CB 4.39Å; L188-M199 HydrophobicContact CD2-CE 3.79Å; L188-M199 HydrophobicContact CD2-SD 4.43Å; Q192-M199 PolarHBondContact O-N 2.86Å; I194-M199 HydrophobicContact CD1-SD 3.73Å; I194-M199 HydrophobicContact CG1-SD 4.21Å; V197-M199 HydrophobicContact CG1-CG 4.42Å |
| 200 | T | 92.3 | Very high | 88.6 | Confident | 83 Ų | 83 | 57.5 Ų | 57.5 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.4 | 170.2 | 49 | 0 | 0 | 0 | 0 | 109.2 | L163 R164 | L163-T200 WeakPolarHBondContact CA-O 3.36Å; R164-T200 WeakPolarHBondContact CB-OG1 3.47Å; R164-T200 PolarHBondContact N-O 3.34Å; R164-T200 PolarHBondContact O-N 2.83Å |
| 201 | E | 91.9 | Very high | 88.6 | Confident | 46 Ų | 46 | 54.7 Ų | 54.7 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 141.1 | 177 | 65.9 | -171.7 | 151.7 | 0 | 0 | 110.6 | L162 L163 N186 L187 L188 | L162-E201 WeakPolarHBondContact O-CA 3.39Å; L163-E201 HydrophobicContact CD2-CB 3.61Å; N186-E201 VanDerWaalsContact C-OE2 3.31Å; N186-E201 VanDerWaalsContact CA-OE1 3.28Å; N186-E201 WeakPolarHBondContact CA-OE1 3.46Å; L187-E201 WeakPolarHBondContact CA-OE2 3.22Å; L187-E201 WeakPolarHBondContact CB-OE2 3.32Å; L187-E201 PolarHBondContact N-OE2 2.88Å; L188-E201 HydrophobicContact CD1-CB 3.78Å; L188-E201 HydrophobicContact CD1-CG 4.04Å; L188-E201 HydrophobicContact CG-CB 4.05Å; L188-E201 HydrophobicContact CG-CG 4.25Å; L188-E201 PolarHBondContact N-OE2 3.05Å |
| 202 | N | 88.5 | Confident | 88.6 | Confident | 43 Ų | 43 | 55.5 Ų | 55.5 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 130.9 | 171.2 | -175.2 | -1.5 | 0 | 0 | 0 | 109.5 | G161 L162 D204 D207 F208 | G161-N202 CarbonylContact C-O 3.22Å; G161-N202 WeakPolarHBondContact CA-O 3.24Å; L162-N202 PolarHBondContact N-O 3.39Å; L162-N202 PolarHBondContact O-N 2.77Å; N202-D204 PolarHBondContact OD1-N 2.91Å; N202-D207 WeakPolarHBondContact ND2-CB 3.19Å; N202-D207 PolarHBondContact ND2-OD2 3.22Å; N202-F208 HydrophobicContact CB-CE2 3.5Å; N202-F208 VanDerWaalsContact CB-CE2 3.5Å; N202-F208 HydrophobicContact CB-CZ 3.58Å; N202-F208 VanDerWaalsContact CG-CE2 3.43Å; N202-F208 WeakPolarHBondContact ND2-CE2 3.38Å; N202-F208 VanDerWaalsContact ND2-CZ 3.28Å; N202-F208 WeakPolarHBondContact ND2-CZ 3.39Å |
| 203 | C | 88.8 | Confident | 88.4 | Confident | 39 Ų | 39 | 54.4 Ų | 54.4 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | trans | -113.1 | 5.3 | -179.6 | -52.2 | 0 | 0 | 0 | 0 | 113 | Y159 D160 C185 M205 | Y159-C203 WeakPolarHBondContact CE2-SG 3.39Å; D160-C203 WeakPolarHBondContact O-CB 3.36Å; C185-C203 VanDerWaalsContact CA-SG 3.54Å; C185-C203 HydrophobicContact CB-CB 3.6Å; C185-C203 WeakPolarHBondContact CB-SG 3.26Å; C185-C203 WeakPolarHBondContact SG-CB 3.05Å; C185-C203 PolarHBondContact SG-N 3Å; C185-C203 CovalentContact SG-SG 2.03Å; C185-C203 PolarHBondContact SG-SG 2.75Å; C203-M205 PolarHBondContact O-N 3.04Å | ||
| 204 | D | 84.8 | Confident | 88.3 | Confident | 78 Ų | 78 | 48.1 Ų | 48.1 | 42% | 0.417 | 26% | 0.258 | S | S | . | . | trans | -78.3 | 103.4 | 167.4 | -164.7 | -21 | 0 | 0 | 0 | 109 | N202 K206 D207 | N202-D204 PolarHBondContact OD1-N 2.91Å; D204-K206 PolarHBondContact O-N 3.12Å; D204-K206 VanDerWaalsContact O-N 3.13Å; D204-K206 WeakPolarHBondContact OD1-CB 3.34Å; D204-K206 PolarHBondContact OD1-N 3.15Å; D204-D207 WeakPolarHBondContact O-CB 3.45Å; D204-D207 PolarHBondContact O-N 2.96Å; D204-D207 VanDerWaalsContact O-N 3.09Å | ||
| 205 | M | 68.8 | Low | 88.1 | Confident | 109 Ų | 109 | 51.1 Ų | 51.1 | 54% | 0.537 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -62.3 | -19 | 179.9 | -66.9 | -160.2 | -97.9 | 0 | 0 | 113.2 | R175 C203 D207 | R175-M205 PolarHBondContact NH2-SD 2.9Å; C203-M205 PolarHBondContact O-N 3.04Å; M205-D207 PolarHBondContact O-N 2.9Å |
| 206 | K | 69.9 | Low | 87.9 | Confident | 189 Ų | 189 | 51 Ų | 51 | 82% | 0.822 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -75.1 | -15.5 | 177.8 | -62.2 | 177.4 | -179.8 | 174.5 | 0 | 112.9 | D204 F208 | D204-K206 PolarHBondContact O-N 3.12Å; D204-K206 VanDerWaalsContact O-N 3.13Å; D204-K206 WeakPolarHBondContact OD1-CB 3.34Å; D204-K206 PolarHBondContact OD1-N 3.15Å; K206-F208 VanDerWaalsContact C-N 3.32Å |
| 207 | D | 74.6 | Confident | 87.8 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 31% | 0.305 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -82.1 | -12.7 | -177.2 | -73.9 | -12.7 | 0 | 0 | 0 | 113 | N202 D204 M205 V240 | N202-D207 WeakPolarHBondContact ND2-CB 3.19Å; N202-D207 PolarHBondContact ND2-OD2 3.22Å; D204-D207 WeakPolarHBondContact O-CB 3.45Å; D204-D207 PolarHBondContact O-N 2.96Å; D204-D207 VanDerWaalsContact O-N 3.09Å; M205-D207 PolarHBondContact O-N 2.9Å; D207-V240 HydrophobicContact CB-CG1 4.31Å; D207-V240 HydrophobicContact CB-CG2 4.24Å; D207-V240 WeakPolarHBondContact O-CA 3.23Å |
| 208 | F | 76.4 | Confident | 87.5 | Confident | 30 Ų | 30 | 53.8 Ų | 53.8 | 13% | 0.132 | 28% | 0.281 | C | S | . | . | trans | -133.3 | 148.5 | -175.6 | -50.3 | -77.9 | 0 | 0 | 0 | 111.9 | L162 N202 K206 V240 | L162-F208 HydrophobicContact CB-CD2 4.13Å; L162-F208 HydrophobicContact CB-CE2 4.02Å; L162-F208 HydrophobicContact CB-CZ 4.4Å; L162-F208 HydrophobicContact CD2-CB 4.24Å; L162-F208 HydrophobicContact CD2-CD1 3.28Å; L162-F208 HydrophobicContact CD2-CD2 3.82Å; L162-F208 HydrophobicContact CD2-CE1 3.4Å; L162-F208 HydrophobicContact CD2-CE2 3.93Å; L162-F208 HydrophobicContact CD2-CG 3.48Å; L162-F208 VanDerWaalsContact CD2-CG 3.48Å; L162-F208 HydrophobicContact CD2-CZ 3.72Å; N202-F208 HydrophobicContact CB-CE2 3.5Å; N202-F208 VanDerWaalsContact CB-CE2 3.5Å; N202-F208 HydrophobicContact CB-CZ 3.58Å; N202-F208 VanDerWaalsContact CG-CE2 3.43Å; N202-F208 WeakPolarHBondContact ND2-CE2 3.38Å; N202-F208 VanDerWaalsContact ND2-CZ 3.28Å; N202-F208 WeakPolarHBondContact ND2-CZ 3.39Å; K206-F208 VanDerWaalsContact C-N 3.32Å; F208-V240 HydrophobicContact CD1-CG2 4Å; F208-V240 HydrophobicContact CE1-CG2 3.36Å; F208-V240 HydrophobicContact CZ-CG2 3.87Å | ||
| 209 | L | 84.4 | Confident | 87.4 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | trans | -128.2 | 132.4 | -174.8 | -172.5 | 68.7 | 0 | 0 | 0 | 108.8 | M237 C238 C244 S296 | L209-M237 WeakPolarHBondContact O-CA 3.36Å; L209-C238 HydrophobicContact CB-CB 4.27Å; L209-C238 PolarHBondContact O-N 2.93Å; L209-C244 HydrophobicContact CD2-CB 4.22Å; L209-C244 WeakPolarHBondContact CD2-SG 3.39Å; L209-S296 WeakPolarHBondContact CD1-O 3.28Å | ||
| 210 | T | 87.1 | Confident | 87.1 | Confident | 24 Ų | 24 | 60.1 Ų | 60.1 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126.3 | 169.8 | -52.4 | 0 | 0 | 0 | 0 | 108.8 | E140 E236 D297 L298 | E140-T210 VanDerWaalsContact O-CG2 3.3Å; E140-T210 WeakPolarHBondContact O-CG2 3.27Å; T210-E236 CarbonylContact C-O 3.5Å; T210-E236 WeakPolarHBondContact CA-O 3.49Å; T210-D297 PolarHBondContact N-OD1 3.41Å; T210-D297 WeakPolarHBondContact O-CA 3.24Å; T210-L298 HydrophobicContact CG2-CD2 3.9Å; T210-L298 PolarHBondContact O-N 2.8Å |
| 211 | C | 91 | Very high | 86.8 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 150.9 | -179.6 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | T235 E236 C238 C244 | C211-T235 CarbonylContact O-C 3.49Å; C211-T235 WeakPolarHBondContact O-CA 3.47Å; C211-T235 WeakPolarHBondContact O-CB 3.46Å; C211-E236 PolarHBondContact N-O 2.87Å; C211-E236 PolarHBondContact O-N 2.85Å; C211-C238 PolarHBondContact SG-SG 2.03Å; C211-C244 WeakPolarHBondContact CA-SG 3.49Å; C211-C244 HydrophobicContact CB-CB 3.81Å; C211-C244 WeakPolarHBondContact CB-SG 2.99Å; C211-C244 WeakPolarHBondContact SG-CA 3.49Å; C211-C244 WeakPolarHBondContact SG-CB 3.05Å; C211-C244 CovalentContact SG-SG 2.02Å; C211-C244 PolarHBondContact SG-SG 2.79Å |
| 212 | H | 92.1 | Very high | 86.5 | Confident | 43 Ų | 43 | 59 Ų | 59 | 20% | 0.199 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 140.7 | 164.2 | -71.2 | -65.8 | 0 | 0 | 0 | 109.7 | K263 G264 N300 | H212-K263 HydrophobicContact CB-CB 4.39Å; H212-K263 HydrophobicContact CB-CD 3.83Å; H212-K263 CarbonylContact O-C 3.45Å; H212-K263 VanDerWaalsContact O-C 3.3Å; H212-K263 WeakPolarHBondContact O-CB 3.48Å; H212-G264 VanDerWaalsContact O-CA 3.3Å; H212-G264 WeakPolarHBondContact O-CA 3.06Å; H212-G264 PolarHBondContact O-N 3.34Å; H212-G264 VanDerWaalsContact O-N 3.12Å; H212-N300 WeakPolarHBondContact CB-OD1 3.27Å; H212-N300 PolarHBondContact CD2-O 2.87Å; H212-N300 PolarHBondContact N-OD1 2.98Å; H212-N300 PolarHBondContact O-ND2 2.8Å |
| 213 | R | 91.9 | Very high | 86.6 | Confident | 127 Ų | 127 | 57 Ų | 57 | 48% | 0.479 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 129.9 | -178 | -175.3 | -174.4 | -178.9 | -115.9 | -2.9 | 111 | T232 N234 E236 K263 | R213-T232 VanDerWaalsContact O-CB 3.27Å; R213-T232 WeakPolarHBondContact O-CB 3.3Å; R213-T232 PolarHBondContact O-OG1 2.97Å; R213-N234 PolarHBondContact N-O 3.39Å; R213-E236 HydrophobicContact CB-CB 4.24Å; R213-E236 HydrophobicContact CB-CG 3.93Å; R213-E236 WeakPolarHBondContact CD-OE2 3.44Å; R213-E236 HydrophobicContact CG-CG 4.22Å; R213-E236 IonicContact NE-OE2 2.75Å; R213-E236 PolarHBondContact NE-OE2 2.77Å; R213-K263 WeakPolarHBondContact CA-O 3.41Å |
| 214 | G | 92.5 | Very high | 86.6 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.3 | 176.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T262 K263 | G214-T262 CarbonylContact O-C 3.54Å; G214-T262 WeakPolarHBondContact O-CA 3.21Å; G214-K263 PolarHBondContact N-O 2.97Å; G214-K263 PolarHBondContact O-N 2.9Å |
| 215 | T | 93.3 | Very high | 86.7 | Confident | 69 Ų | 69 | 56.4 Ų | 56.4 | 42% | 0.423 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 153.7 | 178.6 | 62.6 | 0 | 0 | 0 | 0 | 110 | G261 G361 L363 | T215-G261 CarbonylContact C-O 3.59Å; T215-G261 VanDerWaalsContact CA-O 3.24Å; T215-G261 WeakPolarHBondContact CA-O 3.42Å; T215-G361 WeakPolarHBondContact CG2-O 3.42Å; T215-L363 HydrophobicContact CG2-CB 4.14Å; T215-L363 HydrophobicContact CG2-CD1 4.5Å |
| 216 | T | 92.8 | Very high | 87.8 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 18% | 0.178 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 144.3 | 173.7 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | W230 V260 G261 | T216-W230 HydrophobicContact CG2-CB 4.22Å; T216-W230 HydrophobicContact CG2-CD2 4.37Å; T216-W230 HydrophobicContact CG2-CE3 3.75Å; T216-W230 HydrophobicContact CG2-CZ3 4.5Å; T216-V260 WeakPolarHBondContact O-CA 3.3Å; T216-G261 PolarHBondContact N-O 3.4Å; T216-G261 PolarHBondContact O-N 3.06Å |
| 217 | I | 93.4 | Very high | 88.8 | Confident | 55 Ų | 55 | 51 Ų | 51 | 28% | 0.282 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 119.3 | 165 | -61 | 169.8 | 0 | 0 | 0 | 106.8 | T258 L259 V260 P331 L363 T365 | I217-T258 HydrophobicContact CG2-CG2 4.09Å; I217-L259 CarbonylContact C-O 3.55Å; I217-L259 WeakPolarHBondContact CA-O 2.92Å; I217-V260 HydrophobicContact CG1-CG1 4.28Å; I217-V260 HydrophobicContact CG1-CG2 4.34Å; I217-V260 HydrophobicContact CG2-CG2 4.49Å; I217-P331 HydrophobicContact CG2-CB 3.76Å; I217-P331 HydrophobicContact CG2-CG 3.75Å; I217-L363 HydrophobicContact CD1-CD1 3.82Å; I217-L363 HydrophobicContact CD1-CD2 4.25Å; I217-L363 HydrophobicContact CD1-CG 4.47Å; I217-L363 HydrophobicContact CG1-CD1 4.25Å; I217-L363 HydrophobicContact CG1-CD2 4.24Å; I217-T365 HydrophobicContact CD1-CG2 4.14Å |
| 218 | M | 93 | Very high | 89.7 | Confident | 51 Ų | 51 | 49.8 Ų | 49.8 | 25% | 0.251 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 143.3 | 179.3 | -67.1 | 172.3 | 144.1 | 0 | 0 | 109.2 | L223 T228 T258 L259 | M218-L223 HydrophobicContact CB-CD1 4.1Å; M218-T228 HydrophobicContact CE-CG2 4.09Å; M218-T228 HydrophobicContact SD-CG2 3.71Å; M218-T258 CarbonylContact O-C 3.47Å; M218-T258 WeakPolarHBondContact O-CA 3.49Å; M218-T258 WeakPolarHBondContact O-CG2 3.37Å; M218-L259 PolarHBondContact N-O 3.01Å; M218-L259 PolarHBondContact O-N 2.68Å |
| 219 | T | 92.9 | Very high | 90.4 | Very high | 50 Ų | 50 | 54 Ų | 54 | 31% | 0.307 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 112.5 | 176 | -61.6 | 0 | 0 | 0 | 0 | 109.9 | S257 T258 | T219-S257 CarbonylContact C-O 3.59Å; T219-S257 VanDerWaalsContact CA-O 3.25Å; T219-S257 WeakPolarHBondContact CA-O 3.41Å; T219-T258 PolarHBondContact OG1-OG1 2.96Å |
| 220 | H | 89.4 | Confident | 90.6 | Very high | 106 Ų | 106 | 53.6 Ų | 53.6 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 169.7 | -177.5 | -61.2 | -67.3 | 0 | 0 | 0 | 110.4 | N222 L223 S257 | H220-N222 VanDerWaalsContact C-N 3.33Å; H220-N222 PolarHBondContact O-N 2.89Å; H220-L223 HydrophobicContact CB-CD1 4.41Å; H220-L223 HydrophobicContact CB-CD2 4.11Å; H220-L223 HydrophobicContact CB-CG 4.03Å; H220-S257 PolarHBondContact N-O 2.87Å; H220-S257 PolarHBondContact O-N 3.05Å; H220-S257 VanDerWaalsContact O-O 3.09Å |
| 221 | G | 86.3 | Confident | 90.1 | Very high | 44 Ų | 44 | 58 Ų | 58 | 45% | 0.454 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -13.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 222 | N | 85.1 | Confident | 89.4 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 33% | 0.326 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | 12 | -165.5 | 59.7 | -26.3 | 0 | 0 | 0 | 114.6 | H220 A224 Q225 E226 | H220-N222 VanDerWaalsContact C-N 3.33Å; H220-N222 PolarHBondContact O-N 2.89Å; N222-A224 PolarHBondContact O-N 2.9Å; N222-A224 VanDerWaalsContact O-N 3.16Å; N222-Q225 VanDerWaalsContact C-OE1 3.23Å; N222-Q225 PolarHBondContact O-N 2.92Å; N222-Q225 PolarHBondContact O-OE1 3.22Å; N222-E226 PolarHBondContact ND2-OE2 3.2Å; N222-E226 PolarHBondContact O-N 3.13Å |
| 223 | L | 90.5 | Very high | 88.6 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -15.4 | -173.6 | -54.9 | 175.8 | 0 | 0 | 0 | 113.7 | M218 H220 T228 L250 S257 L259 | M218-L223 HydrophobicContact CB-CD1 4.1Å; H220-L223 HydrophobicContact CB-CD1 4.41Å; H220-L223 HydrophobicContact CB-CD2 4.11Å; H220-L223 HydrophobicContact CB-CG 4.03Å; L223-T228 HydrophobicContact CD2-CG2 4.34Å; L223-T228 VanDerWaalsContact CD2-OG1 3.24Å; L223-T228 WeakPolarHBondContact CD2-OG1 3.26Å; L223-L250 HydrophobicContact CB-CD1 4.03Å; L223-S257 WeakPolarHBondContact CD1-O 3.09Å; L223-L259 HydrophobicContact CD1-CB 3.89Å |
| 224 | A | 88.3 | Confident | 88.3 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -10.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N222 L250 D252 | N222-A224 PolarHBondContact O-N 2.9Å; N222-A224 VanDerWaalsContact O-N 3.16Å; A224-L250 HydrophobicContact CB-CD2 3.93Å; A224-D252 HydrophobicContact CB-CB 3.81Å |
| 225 | Q | 87.8 | Confident | 88.1 | Confident | 95 Ų | 95 | 59.9 Ų | 59.9 | 44% | 0.444 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -39.3 | -176.1 | -60.7 | 80.3 | 16.7 | 0 | 0 | 112 | N222 | N222-Q225 VanDerWaalsContact C-OE1 3.23Å; N222-Q225 PolarHBondContact O-N 2.92Å; N222-Q225 PolarHBondContact O-OE1 3.22Å |
| 226 | E | 90.3 | Very high | 87.8 | Confident | 114 Ų | 114 | 59 Ų | 59 | 53% | 0.533 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -113.4 | 124.2 | -176.1 | -68.7 | -178.7 | 175.3 | 0 | 0 | 111.1 | N222 T228 | N222-E226 PolarHBondContact ND2-OE2 3.2Å; N222-E226 PolarHBondContact O-N 3.13Å; E226-T228 PolarHBondContact O-N 3.05Å; E226-T228 PolarHBondContact O-OG1 2.75Å |
| 227 | P | 92.1 | Very high | 87.5 | Confident | 69 Ų | 69 | 58.5 Ų | 58.5 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | trans | -55 | 133.5 | 171.8 | -25.5 | 34.3 | 0 | 0 | 0 | 111.3 | S305 L309 | P227-S305 WeakPolarHBondContact CA-OG 3.48Å; P227-L309 HydrophobicContact CB-CD1 4.42Å; P227-L309 HydrophobicContact CG-CD1 4.12Å | ||
| 228 | T | 92.8 | Very high | 87.1 | Confident | 33 Ų | 33 | 56 Ų | 56 | 20% | 0.202 | 32% | 0.319 | C | S | . | . | trans | -117.4 | 133.8 | 178.4 | -58 | 0 | 0 | 0 | 0 | 108.8 | M218 L223 E226 S304 S305 | M218-T228 HydrophobicContact CE-CG2 4.09Å; M218-T228 HydrophobicContact SD-CG2 3.71Å; L223-T228 HydrophobicContact CD2-CG2 4.34Å; L223-T228 VanDerWaalsContact CD2-OG1 3.24Å; L223-T228 WeakPolarHBondContact CD2-OG1 3.26Å; E226-T228 PolarHBondContact O-N 3.05Å; E226-T228 PolarHBondContact O-OG1 2.75Å; T228-S304 WeakPolarHBondContact O-CA 3.45Å; T228-S305 PolarHBondContact N-OG 3Å; T228-S305 PolarHBondContact O-N 2.92Å | ||
| 229 | D | 92.6 | Very high | 86.5 | Confident | 117 Ų | 117 | 55.2 Ų | 55.2 | 63% | 0.626 | 32% | 0.315 | S | S | * | . | B | Isolated β-bridge | trans | -71.3 | 139.2 | 177.9 | -65.7 | -22.7 | 0 | 0 | 0 | 111 | S303 | D229-S303 CarbonylContact C-O 3.59Å; D229-S303 WeakPolarHBondContact CA-O 3.45Å |
| 230 | W | 87.7 | Confident | 85.8 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | trans | -147 | 100.5 | 176.2 | 74.7 | -66.1 | 0 | 0 | 0 | 109.2 | T216 E246 L248 K263 A302 S303 S304 | T216-W230 HydrophobicContact CG2-CB 4.22Å; T216-W230 HydrophobicContact CG2-CD2 4.37Å; T216-W230 HydrophobicContact CG2-CE3 3.75Å; T216-W230 HydrophobicContact CG2-CZ3 4.5Å; W230-E246 HydrophobicContact CH2-CB 4.33Å; W230-L248 HydrophobicContact CD2-CD2 3.86Å; W230-L248 HydrophobicContact CE3-CD2 4.11Å; W230-L248 HydrophobicContact CH2-CD2 3.7Å; W230-L248 HydrophobicContact CH2-CG 4.21Å; W230-L248 HydrophobicContact CZ2-CD1 4.01Å; W230-L248 HydrophobicContact CZ2-CD2 3.48Å; W230-L248 VanDerWaalsContact CZ2-CD2 3.48Å; W230-L248 HydrophobicContact CZ2-CG 3.73Å; W230-L248 HydrophobicContact CZ3-CD2 4.01Å; W230-K263 VanDerWaalsContact CD2-NZ 3.32Å; W230-K263 VanDerWaalsContact CE2-NZ 3.27Å; W230-K263 HydrophobicContact CH2-CD 4.02Å; W230-K263 VanDerWaalsContact CH2-CE 3.47Å; W230-K263 HydrophobicContact CH2-CG 3.5Å; W230-K263 VanDerWaalsContact CH2-CG 3.5Å; W230-K263 HydrophobicContact CZ3-CD 4.09Å; W230-K263 HydrophobicContact CZ3-CG 3.59Å; W230-K263 PolarHBondContact O-NZ 2.85Å; W230-A302 HydrophobicContact CZ2-CB 4.18Å; W230-A302 PolarHBondContact NE1-O 2.86Å; W230-S303 PolarHBondContact N-O 3.49Å; W230-S304 VanDerWaalsContact CD1-C 3.45Å; W230-S304 PolarHBondContact NE1-O 2.97Å | ||
| 231 | T | 76.4 | Confident | 85.3 | Confident | 115 Ų | 115 | 53.2 Ų | 53.2 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | trans | -112.2 | 152.5 | 176.6 | 55 | 0 | 0 | 0 | 0 | 110 | ||||
| 232 | T | 76.6 | Confident | 85.4 | Confident | 26 Ų | 26 | 53.6 Ų | 53.6 | 16% | 0.16 | 31% | 0.308 | C | S | . | . | trans | -122.8 | 126.4 | 174.5 | 58.7 | 0 | 0 | 0 | 0 | 107.2 | R213 N234 K263 | R213-T232 VanDerWaalsContact O-CB 3.27Å; R213-T232 WeakPolarHBondContact O-CB 3.3Å; R213-T232 PolarHBondContact O-OG1 2.97Å; T232-N234 VanDerWaalsContact C-N 3.27Å; T232-K263 HydrophobicContact CG2-CD 4.28Å | ||
| 233 | S | 75.3 | Confident | 85.7 | Confident | 111 Ų | 111 | 51.1 Ų | 51.1 | 78% | 0.776 | 30% | 0.295 | S | S | * | . | trans | -76 | -18.4 | 179.7 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 234 | N | 84.8 | Confident | 85.9 | Confident | 69 Ų | 69 | 51 Ų | 51 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 151.5 | -169 | -57.6 | -4.2 | 0 | 0 | 0 | 110.3 | R213 T232 | R213-N234 PolarHBondContact N-O 3.39Å; T232-N234 VanDerWaalsContact C-N 3.27Å |
| 235 | T | 88.1 | Confident | 86.2 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 160.7 | 173.6 | 51.3 | 0 | 0 | 0 | 0 | 109.6 | E140 C211 L298 | E140-T235 WeakPolarHBondContact CB-OG1 3.26Å; E140-T235 PolarHBondContact O-OG1 3.43Å; C211-T235 CarbonylContact O-C 3.49Å; C211-T235 WeakPolarHBondContact O-CA 3.47Å; C211-T235 WeakPolarHBondContact O-CB 3.46Å; T235-L298 HydrophobicContact CG2-CD2 3.61Å |
| 236 | E | 87.4 | Confident | 86.5 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 150.3 | 172.4 | 65.5 | -176.3 | 165.2 | 0 | 0 | 110.9 | T210 C211 R213 G264 C265 | T210-E236 CarbonylContact C-O 3.5Å; T210-E236 WeakPolarHBondContact CA-O 3.49Å; C211-E236 PolarHBondContact N-O 2.87Å; C211-E236 PolarHBondContact O-N 2.85Å; R213-E236 HydrophobicContact CB-CB 4.24Å; R213-E236 HydrophobicContact CB-CG 3.93Å; R213-E236 WeakPolarHBondContact CD-OE2 3.44Å; R213-E236 HydrophobicContact CG-CG 4.22Å; R213-E236 IonicContact NE-OE2 2.75Å; R213-E236 PolarHBondContact NE-OE2 2.77Å; E236-G264 VanDerWaalsContact OE1-C 3.28Å; E236-G264 WeakPolarHBondContact OE1-CA 3.49Å; E236-C265 VanDerWaalsContact CG-SG 3.59Å; E236-C265 PolarHBondContact OE1-N 2.86Å |
| 237 | M | 86 | Confident | 86.7 | Confident | 18 Ų | 18 | 40.8 Ų | 40.8 | 9% | 0.089 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 123.4 | 172.7 | -66.7 | -177.9 | -77.8 | 0 | 0 | 110.1 | S138 M139 L162 N173 R175 L209 | S138-M237 WeakPolarHBondContact O-CE 3.5Å; M139-M237 VanDerWaalsContact C-CE 3.47Å; M139-M237 VanDerWaalsContact O-CE 3.24Å; M139-M237 WeakPolarHBondContact O-CE 3.34Å; L162-M237 HydrophobicContact CD1-CE 3.81Å; L162-M237 HydrophobicContact CD1-SD 3.28Å; L162-M237 WeakPolarHBondContact CD1-SD 3.39Å; N173-M237 HydrophobicContact CB-CB 4.45Å; N173-M237 HydrophobicContact CB-CE 3.84Å; N173-M237 WeakPolarHBondContact O-CE 3Å; R175-M237 HydrophobicContact CB-CE 4.25Å; R175-M237 HydrophobicContact CB-SD 3.85Å; L209-M237 WeakPolarHBondContact O-CA 3.36Å |
| 238 | C | 85.6 | Confident | 86.9 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -80.7 | 156.7 | 179.2 | -54.5 | 0 | 0 | 0 | 0 | 112.7 | L209 C211 Q242 C265 | L209-C238 HydrophobicContact CB-CB 4.27Å; L209-C238 PolarHBondContact O-N 2.93Å; C211-C238 PolarHBondContact SG-SG 2.03Å; C238-Q242 HydrophobicContact CB-CB 3.79Å; C238-C265 WeakPolarHBondContact CA-SG 3.42Å; C238-C265 HydrophobicContact CB-CB 3.79Å; C238-C265 WeakPolarHBondContact CB-SG 3.02Å; C238-C265 VanDerWaalsContact SG-CA 3.58Å; C238-C265 WeakPolarHBondContact SG-CB 3.34Å; C238-C265 CovalentContact SG-SG 2.02Å; C238-C265 PolarHBondContact SG-SG 3.32Å |
| 239 | E | 80.1 | Confident | 87.1 | Confident | 36 Ų | 36 | 36 Ų | 36 | 17% | 0.168 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 160.9 | 173.9 | -65.1 | -76.8 | 178.9 | 0 | 0 | 111.3 | R164 R166 G241 Q242 | R164-E239 IonicContact CZ-OE1 3.54Å; R164-E239 IonicContact CZ-OE2 2.66Å; R164-E239 IonicContact NE-OE1 3.79Å; R164-E239 IonicContact NE-OE2 3.5Å; R164-E239 IonicContact NH1-OE1 3.42Å; R164-E239 IonicContact NH1-OE2 3Å; R164-E239 PolarHBondContact NH1-OE2 3.28Å; R164-E239 IonicContact NH2-OE1 3.98Å; R164-E239 PolarHBondContact NH2-OE1 3.35Å; R164-E239 IonicContact NH2-OE2 3.34Å; R164-E239 PolarHBondContact NH2-OE2 2.03Å; R166-E239 IonicContact CZ-OE1 2.78Å; R166-E239 IonicContact NH2-OE1 3.2Å; R166-E239 PolarHBondContact NH2-OE1 3.15Å; E239-G241 PolarHBondContact O-N 3.28Å; E239-Q242 HydrophobicContact CB-CG 3.98Å; E239-Q242 VanDerWaalsContact O-CB 3.22Å; E239-Q242 WeakPolarHBondContact O-CB 3.34Å; E239-Q242 PolarHBondContact O-N 2.79Å |
| 240 | V | 77.9 | Confident | 87.3 | Confident | 72 Ų | 72 | 30.4 Ų | 30.4 | 44% | 0.436 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 130.1 | -179.6 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | D207 F208 Q242 | D207-V240 HydrophobicContact CB-CG1 4.31Å; D207-V240 HydrophobicContact CB-CG2 4.24Å; D207-V240 WeakPolarHBondContact O-CA 3.23Å; F208-V240 HydrophobicContact CD1-CG2 4Å; F208-V240 HydrophobicContact CE1-CG2 3.36Å; F208-V240 HydrophobicContact CZ-CG2 3.87Å; V240-Q242 PolarHBondContact O-N 2.8Å |
| 241 | G | 80.4 | Confident | 87.6 | Confident | 42 Ų | 42 | 30 Ų | 30 | 43% | 0.433 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E239 V268 | E239-G241 PolarHBondContact O-N 3.28Å; G241-V268 WeakPolarHBondContact O-CA 3.49Å |
| 242 | Q | 88.2 | Confident | 88.5 | Confident | 52 Ų | 52 | 24.9 Ų | 24.9 | 24% | 0.243 | 15% | 0.151 | C | C | . | . | trans | -72.9 | 161.1 | 169.6 | -68.6 | -168.4 | -37.3 | 0 | 0 | 111.1 | C238 E239 V240 S266 V268 | C238-Q242 HydrophobicContact CB-CB 3.79Å; E239-Q242 HydrophobicContact CB-CG 3.98Å; E239-Q242 VanDerWaalsContact O-CB 3.22Å; E239-Q242 WeakPolarHBondContact O-CB 3.34Å; E239-Q242 PolarHBondContact O-N 2.79Å; V240-Q242 PolarHBondContact O-N 2.8Å; Q242-S266 WeakPolarHBondContact CA-O 3.38Å; Q242-S266 WeakPolarHBondContact CB-O 3.29Å; Q242-S266 WeakPolarHBondContact CG-O 3.27Å; Q242-V268 HydrophobicContact CG-CG2 4.31Å | ||
| 243 | V | 91.1 | Very high | 89.2 | Confident | 9 Ų | 9 | 23.8 Ų | 23.8 | 6% | 0.055 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 158.8 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 110 | S266 A270 F293 C294 S295 | V243-S266 PolarHBondContact N-O 3.49Å; V243-S266 PolarHBondContact O-N 3.35Å; V243-A270 HydrophobicContact CG2-CB 3.66Å; V243-F293 HydrophobicContact CG2-CB 4.26Å; V243-F293 HydrophobicContact CG2-CD1 4.14Å; V243-C294 WeakPolarHBondContact CB-O 3.3Å; V243-S295 VanDerWaalsContact CG1-OG 3.3Å; V243-S295 WeakPolarHBondContact CG1-OG 3.35Å |
| 244 | C | 93.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 144.6 | 169.8 | -60.1 | 0 | 0 | 0 | 0 | 109.6 | L209 C211 G264 F293 C294 C299 N300 | L209-C244 HydrophobicContact CD2-CB 4.22Å; L209-C244 WeakPolarHBondContact CD2-SG 3.39Å; C211-C244 WeakPolarHBondContact CA-SG 3.49Å; C211-C244 HydrophobicContact CB-CB 3.81Å; C211-C244 WeakPolarHBondContact CB-SG 2.99Å; C211-C244 WeakPolarHBondContact SG-CA 3.49Å; C211-C244 WeakPolarHBondContact SG-CB 3.05Å; C211-C244 CovalentContact SG-SG 2.02Å; C211-C244 PolarHBondContact SG-SG 2.79Å; C244-G264 CarbonylContact C-O 3.49Å; C244-F293 CarbonylContact O-C 3.52Å; C244-F293 VanDerWaalsContact O-CA 3.26Å; C244-F293 WeakPolarHBondContact O-CA 3.27Å; C244-C294 PolarHBondContact N-O 3.48Å; C244-C294 PolarHBondContact O-N 3.45Å; C244-C299 VanDerWaalsContact CB-SG 3.57Å; C244-N300 HydrophobicContact CB-CB 3.85Å |
| 245 | Q | 94.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 147.6 | 170 | 70.5 | 79.5 | 26.2 | 0 | 0 | 111 | T247 T262 K263 G264 H292 F293 N300 I389 | Q245-T247 PolarHBondContact OE1-OG1 2.02Å; Q245-T262 PolarHBondContact NE2-OG1 2.77Å; Q245-K263 WeakPolarHBondContact O-CA 3.3Å; Q245-G264 WeakPolarHBondContact CG-O 3.28Å; Q245-G264 PolarHBondContact N-O 2.78Å; Q245-G264 PolarHBondContact O-N 2.02Å; Q245-H292 CarbonylContact C-O 3.46Å; Q245-H292 VanDerWaalsContact CA-O 3.3Å; Q245-H292 WeakPolarHBondContact CA-O 3.2Å; Q245-F293 HydrophobicContact CB-CD1 3.55Å; Q245-F293 HydrophobicContact CB-CE1 3.49Å; Q245-F293 VanDerWaalsContact CB-CE1 3.49Å; Q245-F293 HydrophobicContact CB-CZ 4.43Å; Q245-F293 HydrophobicContact CG-CE1 4.41Å; Q245-N300 PolarHBondContact O-ND2 2.84Å; Q245-I389 HydrophobicContact CG-CB 4.25Å; Q245-I389 HydrophobicContact CG-CD1 4.42Å; Q245-I389 HydrophobicContact CG-CG1 4.33Å |
| 246 | E | 94.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 22.4 Ų | 22.4 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 132.8 | 160.5 | 55.3 | -175.2 | -178.1 | 0 | 0 | 109.9 | W230 T262 K263 Y290 H292 N300 S301 A302 | W230-E246 HydrophobicContact CH2-CB 4.33Å; E246-T262 CarbonylContact C-O 3.44Å; E246-T262 VanDerWaalsContact CA-O 3.28Å; E246-T262 WeakPolarHBondContact CA-O 3.41Å; E246-K263 HydrophobicContact CB-CG 4.02Å; E246-Y290 HydrophobicContact CG-CE1 3.99Å; E246-Y290 PolarHBondContact OE1-OH 2.82Å; E246-H292 HydrophobicContact CG-CB 3.68Å; E246-H292 PolarHBondContact N-O 2.93Å; E246-H292 PolarHBondContact O-N 3.01Å; E246-H292 IonicContact OE1-CE1 2.92Å; E246-H292 IonicContact OE1-CG 3.58Å; E246-H292 IonicContact OE1-ND1 2.75Å; E246-H292 PolarHBondContact OE1-ND1 2.88Å; E246-N300 HydrophobicContact CB-CB 3.99Å; E246-N300 HydrophobicContact CG-CB 3.98Å; E246-S301 PolarHBondContact OE2-N 3.13Å; E246-A302 WeakPolarHBondContact OE2-CB 3.1Å; E246-A302 PolarHBondContact OE2-N 2.97Å |
| 247 | T | 95.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 127.7 | -179.5 | -56.8 | 0 | 0 | 0 | 0 | 109.5 | Q245 G261 T262 Y290 T291 I387 I389 F390 | Q245-T247 PolarHBondContact OE1-OG1 2.02Å; T247-G261 CarbonylContact O-C 3.48Å; T247-G261 VanDerWaalsContact O-CA 3.29Å; T247-G261 WeakPolarHBondContact O-CA 2.93Å; T247-T262 PolarHBondContact N-O 3.16Å; T247-T262 PolarHBondContact O-N 2.88Å; T247-Y290 CarbonylContact C-O 3.56Å; T247-Y290 WeakPolarHBondContact CA-O 3.34Å; T247-T291 HydrophobicContact CG2-CG2 3.97Å; T247-I387 HydrophobicContact CG2-CG2 4.46Å; T247-I389 PolarHBondContact OG1-N 3.01Å; T247-F390 HydrophobicContact CG2-CD2 3.63Å; T247-F390 HydrophobicContact CG2-CE2 3.67Å |
| 248 | L | 96.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 140.1 | 168.6 | -67.4 | -179.7 | 0 | 0 | 0 | 109.9 | W230 L259 V260 S289 Y290 V307 L308 | W230-L248 HydrophobicContact CD2-CD2 3.86Å; W230-L248 HydrophobicContact CE3-CD2 4.11Å; W230-L248 HydrophobicContact CH2-CD2 3.7Å; W230-L248 HydrophobicContact CH2-CG 4.21Å; W230-L248 HydrophobicContact CZ2-CD1 4.01Å; W230-L248 HydrophobicContact CZ2-CD2 3.48Å; W230-L248 VanDerWaalsContact CZ2-CD2 3.48Å; W230-L248 HydrophobicContact CZ2-CG 3.73Å; W230-L248 HydrophobicContact CZ3-CD2 4.01Å; L248-L259 HydrophobicContact CB-CD1 4.36Å; L248-L259 HydrophobicContact CD2-CD1 4.41Å; L248-V260 CarbonylContact C-O 3.53Å; L248-V260 VanDerWaalsContact CA-O 3.31Å; L248-V260 WeakPolarHBondContact CA-O 3.03Å; L248-S289 CarbonylContact O-C 3.54Å; L248-S289 WeakPolarHBondContact O-CA 3.44Å; L248-S289 VanDerWaalsContact O-CB 3.32Å; L248-S289 WeakPolarHBondContact O-CB 3.32Å; L248-Y290 PolarHBondContact N-O 2.86Å; L248-Y290 PolarHBondContact O-N 2.86Å; L248-V307 HydrophobicContact CD1-CG2 3.77Å; L248-L308 HydrophobicContact CB-CD2 4.25Å; L248-L308 HydrophobicContact CD1-CB 4.48Å |
| 249 | L | 96.6 | Very high | 91 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 120.7 | 170 | -176.9 | 74.9 | 0 | 0 | 0 | 108.9 | L251 L259 V260 V287 L358 M367 I387 | L249-L251 HydrophobicContact CD2-CD1 3.71Å; L249-L251 HydrophobicContact CG-CD1 3.83Å; L249-L259 WeakPolarHBondContact O-CA 3.42Å; L249-V260 HydrophobicContact CB-CB 4.46Å; L249-V260 PolarHBondContact N-O 3.25Å; L249-V260 PolarHBondContact O-N 2.88Å; L249-V287 HydrophobicContact CD1-CG1 3.96Å; L249-L358 HydrophobicContact CD2-CD1 3.67Å; L249-L358 HydrophobicContact CD2-CD2 4.09Å; L249-L358 HydrophobicContact CD2-CG 4.45Å; L249-M367 HydrophobicContact CD2-CE 4.08Å; L249-I387 HydrophobicContact CD1-CD1 3.93Å; L249-I387 HydrophobicContact CD1-CG2 4.38Å |
| 250 | L | 96.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.5 | 173.4 | 176.6 | 70 | 0 | 0 | 0 | 109.2 | L223 A224 L259 L286 V287 A288 L308 L309 L312 | L223-L250 HydrophobicContact CB-CD1 4.03Å; A224-L250 HydrophobicContact CB-CD2 3.93Å; L250-L259 HydrophobicContact CB-CD1 4.2Å; L250-L259 HydrophobicContact CD1-CD1 4.48Å; L250-L286 HydrophobicContact CD2-CD2 4.39Å; L250-V287 WeakPolarHBondContact O-CA 3.43Å; L250-A288 PolarHBondContact N-O 3.37Å; L250-A288 PolarHBondContact O-N 3.29Å; L250-L308 HydrophobicContact CB-CD2 3.59Å; L250-L309 HydrophobicContact CD2-CD2 3.76Å; L250-L312 HydrophobicContact CD2-CD1 3.92Å |
| 251 | L | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127 | 166 | -67.5 | 89.2 | 0 | 0 | 0 | 108.1 | L249 S257 T258 L286 V287 V329 I356 M367 I369 | L249-L251 HydrophobicContact CD2-CD1 3.71Å; L249-L251 HydrophobicContact CG-CD1 3.83Å; L251-S257 CarbonylContact O-C 3.56Å; L251-S257 WeakPolarHBondContact O-CA 3.23Å; L251-S257 WeakPolarHBondContact O-CB 3.29Å; L251-T258 PolarHBondContact N-O 2.9Å; L251-T258 PolarHBondContact O-N 3.16Å; L251-L286 CarbonylContact C-O 3.47Å; L251-L286 WeakPolarHBondContact CA-O 3.5Å; L251-V287 HydrophobicContact CD2-CG2 4.4Å; L251-V287 HydrophobicContact CG-CG1 4.27Å; L251-V287 HydrophobicContact CG-CG2 4.24Å; L251-V329 HydrophobicContact CB-CG2 4.42Å; L251-I356 HydrophobicContact CD2-CD1 4.04Å; L251-M367 HydrophobicContact CD1-CE 3.64Å; L251-M367 HydrophobicContact CD1-SD 3.71Å; L251-M367 HydrophobicContact CD2-CE 4.03Å; L251-M367 HydrophobicContact CD2-SD 4.42Å; L251-I369 HydrophobicContact CD2-CD1 3.4Å; L251-I369 HydrophobicContact CD2-CG1 4.01Å |
| 252 | D | 93.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 12 Ų | 12 | 4% | 0.037 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 123.4 | 177 | 177.6 | 50.1 | 0 | 0 | 0 | 110.2 | A224 G254 S257 V285 L286 | A224-D252 HydrophobicContact CB-CB 3.81Å; D252-G254 PolarHBondContact OD1-N 3.48Å; D252-S257 PolarHBondContact OD1-OG 3.12Å; D252-V285 CarbonylContact O-C 3.59Å; D252-V285 WeakPolarHBondContact O-CA 3Å; D252-L286 HydrophobicContact CB-CB 4.2Å; D252-L286 HydrophobicContact CB-CD2 4.44Å; D252-L286 PolarHBondContact N-O 3.16Å; D252-L286 PolarHBondContact O-N 2Å |
| 253 | V | 91.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 9.8 Ų | 9.8 | 2% | 0.018 | 6% | 0.063 | C | C | . | . | trans | -108.1 | 11.7 | 178.9 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | L255 T256 V285 T327 V329 I369 | V253-L255 PolarHBondContact O-N 3.18Å; V253-T256 WeakPolarHBondContact CG2-O 3.25Å; V253-T256 PolarHBondContact N-O 2.8Å; V253-V285 HydrophobicContact CB-CG2 4.47Å; V253-V285 HydrophobicContact CG1-CG1 4.19Å; V253-V285 HydrophobicContact CG1-CG2 4.03Å; V253-T327 VanDerWaalsContact CG2-OG1 3.24Å; V253-T327 WeakPolarHBondContact CG2-OG1 3.49Å; V253-T327 PolarHBondContact O-OG1 3.32Å; V253-V329 HydrophobicContact CG1-CB 4.21Å; V253-V329 HydrophobicContact CG2-CB 4.19Å; V253-V329 HydrophobicContact CG2-CG1 4.05Å; V253-I369 HydrophobicContact CG1-CG2 3.86Å | ||
| 254 | G | 86.6 | Confident | 93.6 | Very high | 38 Ų | 38 | 9.5 Ų | 9.5 | 39% | 0.392 | 6% | 0.062 | S | C | . | . | S | Bend | trans | 94.6 | -46.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D252 | D252-G254 PolarHBondContact OD1-N 3.48Š|
| 255 | L | 85.1 | Confident | 93.5 | Very high | 88 Ų | 88 | 10.8 Ų | 10.8 | 46% | 0.461 | 7% | 0.07 | S | C | . | . | S | Bend | trans | -87 | -32.3 | 173.5 | -71.6 | -169.9 | 0 | 0 | 0 | 112.7 | V253 T327 P340 M342 | V253-L255 PolarHBondContact O-N 3.18Å; L255-T327 HydrophobicContact CB-CG2 4.05Å; L255-T327 HydrophobicContact CD1-CG2 3.33Å; L255-T327 HydrophobicContact CG-CG2 3.68Å; L255-P340 HydrophobicContact CD1-CB 4.2Å; L255-P340 HydrophobicContact CD1-CG 4.29Å; L255-M342 HydrophobicContact CG-CB 4.46Å |
| 256 | T | 90.1 | Very high | 93.3 | Very high | 47 Ų | 47 | 11 Ų | 11 | 29% | 0.288 | 7% | 0.072 | S | C | . | . | trans | -141.2 | 151.8 | 180 | 50.2 | 0 | 0 | 0 | 0 | 109.6 | V253 | V253-T256 WeakPolarHBondContact CG2-O 3.25Å; V253-T256 PolarHBondContact N-O 2.8Å | ||
| 257 | S | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 149.8 | 175.4 | -34.8 | 0 | 0 | 0 | 0 | 109.1 | T219 H220 L223 L251 D252 | T219-S257 CarbonylContact C-O 3.59Å; T219-S257 VanDerWaalsContact CA-O 3.25Å; T219-S257 WeakPolarHBondContact CA-O 3.41Å; H220-S257 PolarHBondContact N-O 2.87Å; H220-S257 PolarHBondContact O-N 3.05Å; H220-S257 VanDerWaalsContact O-O 3.09Å; L223-S257 WeakPolarHBondContact CD1-O 3.09Å; L251-S257 CarbonylContact O-C 3.56Å; L251-S257 WeakPolarHBondContact O-CA 3.23Å; L251-S257 WeakPolarHBondContact O-CB 3.29Å; D252-S257 PolarHBondContact OD1-OG 3.12Å |
| 258 | T | 95.4 | Very high | 91 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.5 | 171.5 | -64.1 | 0 | 0 | 0 | 0 | 109.2 | I217 M218 T219 L251 V260 V329 P331 M367 | I217-T258 HydrophobicContact CG2-CG2 4.09Å; M218-T258 CarbonylContact O-C 3.47Å; M218-T258 WeakPolarHBondContact O-CA 3.49Å; M218-T258 WeakPolarHBondContact O-CG2 3.37Å; T219-T258 PolarHBondContact OG1-OG1 2.96Å; L251-T258 PolarHBondContact N-O 2.9Å; L251-T258 PolarHBondContact O-N 3.16Å; T258-V260 HydrophobicContact CG2-CG2 4.02Å; T258-V329 WeakPolarHBondContact OG1-CG1 3.29Å; T258-V329 WeakPolarHBondContact OG1-CG2 3.48Å; T258-P331 HydrophobicContact CG2-CG 4.27Å; T258-M367 HydrophobicContact CG2-SD 4.36Å |
| 259 | L | 95.4 | Very high | 89.2 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128 | 170.2 | -177 | 72.6 | 0 | 0 | 0 | 109 | I217 M218 L223 L248 L249 L250 L308 | I217-L259 CarbonylContact C-O 3.55Å; I217-L259 WeakPolarHBondContact CA-O 2.92Å; M218-L259 PolarHBondContact N-O 3.01Å; M218-L259 PolarHBondContact O-N 2.68Å; L223-L259 HydrophobicContact CD1-CB 3.89Å; L248-L259 HydrophobicContact CB-CD1 4.36Å; L248-L259 HydrophobicContact CD2-CD1 4.41Å; L249-L259 WeakPolarHBondContact O-CA 3.42Å; L250-L259 HydrophobicContact CB-CD1 4.2Å; L250-L259 HydrophobicContact CD1-CD1 4.48Å; L259-L308 HydrophobicContact CD1-CD2 4.43Å |
| 260 | V | 95.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.3 | 174.8 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | T216 I217 L248 L249 T258 L358 L363 M367 F390 | T216-V260 WeakPolarHBondContact O-CA 3.3Å; I217-V260 HydrophobicContact CG1-CG1 4.28Å; I217-V260 HydrophobicContact CG1-CG2 4.34Å; I217-V260 HydrophobicContact CG2-CG2 4.49Å; L248-V260 CarbonylContact C-O 3.53Å; L248-V260 VanDerWaalsContact CA-O 3.31Å; L248-V260 WeakPolarHBondContact CA-O 3.03Å; L249-V260 HydrophobicContact CB-CB 4.46Å; L249-V260 PolarHBondContact N-O 3.25Å; L249-V260 PolarHBondContact O-N 2.88Å; T258-V260 HydrophobicContact CG2-CG2 4.02Å; V260-L358 HydrophobicContact CG1-CD1 4.27Å; V260-L358 HydrophobicContact CG2-CD1 4.49Å; V260-L363 HydrophobicContact CG1-CD2 3.18Å; V260-M367 HydrophobicContact CG2-SD 3.74Å; V260-F390 HydrophobicContact CG1-CE2 4.33Å; V260-F390 HydrophobicContact CG1-CZ 3.95Å |
| 261 | G | 94.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T215 T216 T247 | T215-G261 CarbonylContact C-O 3.59Å; T215-G261 VanDerWaalsContact CA-O 3.24Å; T215-G261 WeakPolarHBondContact CA-O 3.42Å; T216-G261 PolarHBondContact N-O 3.4Å; T216-G261 PolarHBondContact O-N 3.06Å; T247-G261 CarbonylContact O-C 3.48Å; T247-G261 VanDerWaalsContact O-CA 3.29Å; T247-G261 WeakPolarHBondContact O-CA 2.93Å |
| 262 | T | 94.6 | Very high | 86 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 145.6 | 172.4 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | G214 Q245 E246 T247 G361 I389 F390 | G214-T262 CarbonylContact O-C 3.54Å; G214-T262 WeakPolarHBondContact O-CA 3.21Å; Q245-T262 PolarHBondContact NE2-OG1 2.77Å; E246-T262 CarbonylContact C-O 3.44Å; E246-T262 VanDerWaalsContact CA-O 3.28Å; E246-T262 WeakPolarHBondContact CA-O 3.41Å; T247-T262 PolarHBondContact N-O 3.16Å; T247-T262 PolarHBondContact O-N 2.88Å; T262-G361 PolarHBondContact OG1-O 3.21Å; T262-I389 HydrophobicContact CG2-CG2 3.36Å; T262-F390 HydrophobicContact CG2-CE1 3.7Å; T262-F390 HydrophobicContact CG2-CE2 3.84Å; T262-F390 HydrophobicContact CG2-CZ 3.28Å |
| 263 | K | 94.7 | Very high | 85.9 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 142.4 | 170.3 | -61.3 | -171.6 | 168 | 85.1 | 0 | 108.7 | H212 R213 G214 W230 T232 Q245 E246 N300 A302 | H212-K263 HydrophobicContact CB-CB 4.39Å; H212-K263 HydrophobicContact CB-CD 3.83Å; H212-K263 CarbonylContact O-C 3.45Å; H212-K263 VanDerWaalsContact O-C 3.3Å; H212-K263 WeakPolarHBondContact O-CB 3.48Å; R213-K263 WeakPolarHBondContact CA-O 3.41Å; G214-K263 PolarHBondContact N-O 2.97Å; G214-K263 PolarHBondContact O-N 2.9Å; W230-K263 VanDerWaalsContact CD2-NZ 3.32Å; W230-K263 VanDerWaalsContact CE2-NZ 3.27Å; W230-K263 HydrophobicContact CH2-CD 4.02Å; W230-K263 VanDerWaalsContact CH2-CE 3.47Å; W230-K263 HydrophobicContact CH2-CG 3.5Å; W230-K263 VanDerWaalsContact CH2-CG 3.5Å; W230-K263 HydrophobicContact CZ3-CD 4.09Å; W230-K263 HydrophobicContact CZ3-CG 3.59Å; W230-K263 PolarHBondContact O-NZ 2.85Å; T232-K263 HydrophobicContact CG2-CD 4.28Å; Q245-K263 WeakPolarHBondContact O-CA 3.3Å; E246-K263 HydrophobicContact CB-CG 4.02Å; K263-N300 WeakPolarHBondContact CD-O 3.32Å; K263-N300 VanDerWaalsContact CE-O 3.27Å; K263-N300 WeakPolarHBondContact CE-O 3.24Å; K263-A302 WeakPolarHBondContact CE-O 3.29Å; K263-A302 PolarHBondContact NZ-O 2.87Å |
| 264 | G | 93.3 | Very high | 85.9 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.9 | -157.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H212 E236 C244 Q245 N300 | H212-G264 VanDerWaalsContact O-CA 3.3Å; H212-G264 WeakPolarHBondContact O-CA 3.06Å; H212-G264 PolarHBondContact O-N 3.34Å; H212-G264 VanDerWaalsContact O-N 3.12Å; E236-G264 VanDerWaalsContact OE1-C 3.28Å; E236-G264 WeakPolarHBondContact OE1-CA 3.49Å; C244-G264 CarbonylContact C-O 3.49Å; Q245-G264 WeakPolarHBondContact CG-O 3.28Å; Q245-G264 PolarHBondContact N-O 2.78Å; Q245-G264 PolarHBondContact O-N 2.02Å; G264-N300 PolarHBondContact N-ND2 2.82Å |
| 265 | C | 91.7 | Very high | 86.3 | Confident | 26 Ų | 26 | 49.2 Ų | 49.2 | 18% | 0.176 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 146.7 | 172.9 | -55 | 0 | 0 | 0 | 0 | 112.3 | E236 C238 | E236-C265 VanDerWaalsContact CG-SG 3.59Å; E236-C265 PolarHBondContact OE1-N 2.86Å; C238-C265 WeakPolarHBondContact CA-SG 3.42Å; C238-C265 HydrophobicContact CB-CB 3.79Å; C238-C265 WeakPolarHBondContact CB-SG 3.02Å; C238-C265 VanDerWaalsContact SG-CA 3.58Å; C238-C265 WeakPolarHBondContact SG-CB 3.34Å; C238-C265 CovalentContact SG-SG 2.02Å; C238-C265 PolarHBondContact SG-SG 3.32Å |
| 266 | S | 89.6 | Confident | 86.8 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 5% | 0.049 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 159.9 | 172 | -172 | 0 | 0 | 0 | 0 | 112.1 | Q242 V243 F293 | Q242-S266 WeakPolarHBondContact CA-O 3.38Å; Q242-S266 WeakPolarHBondContact CB-O 3.29Å; Q242-S266 WeakPolarHBondContact CG-O 3.27Å; V243-S266 PolarHBondContact N-O 3.49Å; V243-S266 PolarHBondContact O-N 3.35Å; S266-F293 WeakPolarHBondContact OG-CE1 3.36Å |
| 267 | T | 80.2 | Confident | 87 | Confident | 104 Ų | 104 | 46.4 Ų | 46.4 | 64% | 0.638 | 27% | 0.266 | S | S | * | . | trans | -57.1 | 152.2 | -178.8 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 268 | V | 60.6 | Low | 87.1 | Confident | 100 Ų | 100 | 49.5 Ų | 49.5 | 61% | 0.606 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 133.3 | -179.3 | -177 | 0 | 0 | 0 | 0 | 111.9 | G241 Q242 | G241-V268 WeakPolarHBondContact O-CA 3.49Å; Q242-V268 HydrophobicContact CG-CG2 4.31Å |
| 269 | G | 58.8 | Low | 87 | Confident | 54 Ų | 54 | 50.9 Ų | 50.9 | 56% | 0.557 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.9 | -1.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q271 | G269-Q271 PolarHBondContact O-N 2.81Š|
| 270 | A | 65.8 | Low | 86.8 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 116.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | V243 F293 | V243-A270 HydrophobicContact CG2-CB 3.66Å; A270-F293 HydrophobicContact CB-CB 4.44Å; A270-F293 HydrophobicContact CB-CD1 3.85Å; A270-F293 HydrophobicContact CB-CE1 4.34Å; A270-F293 HydrophobicContact CB-CG 4.15Å |
| 271 | Q | 73.7 | Confident | 86.4 | Confident | 151 Ų | 151 | 54.9 Ų | 54.9 | 71% | 0.706 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 150.9 | 179.6 | -70.2 | -66.2 | -30.5 | 0 | 0 | 110.8 | G269 S273 | G269-Q271 PolarHBondContact O-N 2.81Å; Q271-S273 WeakPolarHBondContact O-CB 3.48Å; Q271-S273 PolarHBondContact O-N 2.82Å; Q271-S273 PolarHBondContact O-OG 3.09Å |
| 272 | N | 82.8 | Confident | 85.7 | Confident | 103 Ų | 103 | 58.2 Ų | 58.2 | 55% | 0.551 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -51.4 | 116.2 | 170.2 | -72.8 | -5.7 | 0 | 0 | 0 | 108.9 | F293 C294 S295 | N272-F293 VanDerWaalsContact CA-O 3.26Å; N272-F293 WeakPolarHBondContact CA-O 3.37Å; N272-C294 VanDerWaalsContact OD1-CA 3.27Å; N272-C294 WeakPolarHBondContact OD1-CA 3.42Å; N272-S295 WeakPolarHBondContact OD1-CB 3.33Å; N272-S295 PolarHBondContact OD1-N 2.84Å; N272-S295 PolarHBondContact OD1-OG 2.92Å |
| 273 | S | 89.9 | Confident | 85.2 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 37% | 0.371 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 141.3 | -173.9 | 55.8 | 0 | 0 | 0 | 0 | 109.6 | Q271 H292 F293 | Q271-S273 WeakPolarHBondContact O-CB 3.48Å; Q271-S273 PolarHBondContact O-N 2.82Å; Q271-S273 PolarHBondContact O-OG 3.09Å; S273-H292 CarbonylContact O-C 3.58Å; S273-H292 VanDerWaalsContact O-CA 3.24Å; S273-H292 WeakPolarHBondContact O-CA 3.31Å; S273-H292 PolarHBondContact O-CD2 3.34Å; S273-F293 PolarHBondContact N-O 2.91Å; S273-F293 PolarHBondContact O-N 3.2Å |
| 274 | Q | 92.6 | Very high | 84.8 | Confident | 131 Ų | 131 | 61 Ų | 61 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 125.1 | 173.2 | -176.9 | 179 | -59.9 | 0 | 0 | 107.7 | Y290 T291 H292 | Q274-Y290 HydrophobicContact CG-CD2 4.43Å; Q274-Y290 HydrophobicContact CG-CE2 3.49Å; Q274-Y290 VanDerWaalsContact CG-CE2 3.49Å; Q274-Y290 PolarHBondContact OE1-OH 3Å; Q274-T291 CarbonylContact C-O 3.6Å; Q274-T291 WeakPolarHBondContact CA-O 3.45Å; Q274-H292 HydrophobicContact CG-CB 4.3Å |
| 275 | K | 94.2 | Very high | 84.8 | Confident | 129 Ų | 129 | 61 Ų | 61 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 136.1 | -175.8 | -171.9 | -179.2 | -179.9 | -170.4 | 0 | 111.5 | T277 Y290 T291 | K275-T277 VanDerWaalsContact CE-OG1 3.27Å; K275-T277 WeakPolarHBondContact CE-OG1 3.38Å; K275-Y290 CarbonylContact O-C 3.57Å; K275-Y290 WeakPolarHBondContact O-CA 3.27Å; K275-T291 PolarHBondContact N-O 2.99Å; K275-T291 PolarHBondContact O-N 2.86Å; K275-T291 PolarHBondContact O-OG1 2.86Å |
| 276 | T | 95.8 | Very high | 84.8 | Confident | 38 Ų | 38 | 59.9 Ų | 59.9 | 23% | 0.233 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 136.5 | 162.2 | -58.3 | 0 | 0 | 0 | 0 | 109.5 | S289 L308 S311 | T276-S289 CarbonylContact C-O 3.52Å; T276-S289 VanDerWaalsContact CA-O 3.25Å; T276-S289 WeakPolarHBondContact CA-O 3.28Å; T276-L308 HydrophobicContact CG2-CD1 3.52Å; T276-S311 PolarHBondContact OG1-OG 2.99Å |
| 277 | T | 95.4 | Very high | 85.1 | Confident | 38 Ų | 38 | 59.5 Ų | 59.5 | 23% | 0.233 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 134 | 178.9 | -54.2 | 0 | 0 | 0 | 0 | 109.7 | K275 A288 S289 | K275-T277 VanDerWaalsContact CE-OG1 3.27Å; K275-T277 WeakPolarHBondContact CE-OG1 3.38Å; T277-A288 CarbonylContact O-C 3.53Å; T277-A288 VanDerWaalsContact O-CA 3.22Å; T277-A288 WeakPolarHBondContact O-CA 3.24Å; T277-S289 PolarHBondContact N-O 2.86Å; T277-S289 PolarHBondContact O-N 3.39Å |
| 278 | I | 94.7 | Very high | 85.9 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 33% | 0.333 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 115.6 | 170.5 | -57.9 | 171.3 | 0 | 0 | 0 | 106.7 | S280 A281 L286 A288 L312 P313 | I278-S280 WeakPolarHBondContact CG2-O 2.9Å; I278-A281 HydrophobicContact CG2-CB 3.95Å; I278-L286 HydrophobicContact CG2-CD1 4.12Å; I278-A288 HydrophobicContact CG1-CB 4.35Å; I278-L312 HydrophobicContact CD1-CD2 4.39Å; I278-L312 HydrophobicContact CG1-CD2 4.11Å; I278-P313 HydrophobicContact CD1-CG 4.01Å |
| 279 | H | 93.3 | Very high | 87.6 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 13% | 0.134 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -40.4 | -178.1 | -58.4 | -78.4 | 0 | 0 | 0 | 111.6 | V287 S289 L380 L381 | H279-V287 HydrophobicContact CB-CB 4.22Å; H279-V287 HydrophobicContact CB-CG1 4.17Å; H279-V287 PolarHBondContact N-O 3.01Å; H279-S289 PolarHBondContact NE2-OG 2.86Å; H279-L380 CarbonylContact C-O 3.52Å; H279-L381 HydrophobicContact CB-CD2 3.84Å |
| 280 | S | 91.6 | Very high | 89.4 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 121.1 | 170.9 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | I278 V285 L286 V287 L380 | I278-S280 WeakPolarHBondContact CG2-O 2.9Å; S280-V285 PolarHBondContact OG-O 2.98Å; S280-L286 WeakPolarHBondContact O-CA 3.35Å; S280-L286 WeakPolarHBondContact O-CD1 3.18Å; S280-V287 PolarHBondContact N-O 3.41Å; S280-V287 PolarHBondContact O-N 2.75Å; S280-L380 WeakPolarHBondContact CB-O 3.16Å |
| 281 | A | 85.8 | Confident | 90.8 | Very high | 65 Ų | 65 | 46.9 Ų | 46.9 | 54% | 0.537 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -95.8 | 151.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I278 | I278-A281 HydrophobicContact CG2-CB 3.95Š|
| 282 | P | 81.3 | Confident | 91.9 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 46% | 0.455 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -56.8 | 154.4 | 168.7 | -22.7 | 33.9 | 0 | 0 | 0 | 111.9 | ||
| 283 | P | 82.9 | Confident | 92.4 | Very high | 47 Ų | 47 | 37.4 Ų | 37.4 | 31% | 0.305 | 22% | 0.215 | S | C | . | . | S | Bend | cis | -83.5 | 135.4 | 11.1 | 32.3 | -34.7 | 0 | 0 | 0 | 113.6 | P345 A348 | P283-P345 HydrophobicContact CB-CB 3.92Å; P283-P345 HydrophobicContact CB-CG 3.77Å; P283-A348 HydrophobicContact CB-CB 4.37Å |
| 284 | G | 87.6 | Confident | 92.6 | Very high | 18 Ų | 18 | 35.2 Ų | 35.2 | 19% | 0.186 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 117.8 | -141.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L286 C372 | G284-L286 PolarHBondContact O-N 3.01Å; G284-C372 CarbonylContact C-O 3.58Å; G284-C372 WeakPolarHBondContact CA-O 3.4Å |
| 285 | V | 92.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | trans | -64.7 | 122.7 | 178.1 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | D252 V253 S280 V287 C372 L380 | D252-V285 CarbonylContact O-C 3.59Å; D252-V285 WeakPolarHBondContact O-CA 3Å; V253-V285 HydrophobicContact CB-CG2 4.47Å; V253-V285 HydrophobicContact CG1-CG1 4.19Å; V253-V285 HydrophobicContact CG1-CG2 4.03Å; S280-V285 PolarHBondContact OG-O 2.98Å; V285-V287 HydrophobicContact CG1-CG2 4.06Å; V285-C372 PolarHBondContact N-O 2.91Å; V285-L380 HydrophobicContact CB-CD2 4.18Å; V285-L380 HydrophobicContact CG1-CD1 3.98Å; V285-L380 HydrophobicContact CG1-CD2 4.13Å | ||
| 286 | L | 92.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 130.8 | 171 | 164.8 | 68.9 | 0 | 0 | 0 | 109.3 | L250 L251 D252 I278 S280 G284 A288 L312 Q315 | L250-L286 HydrophobicContact CD2-CD2 4.39Å; L251-L286 CarbonylContact C-O 3.47Å; L251-L286 WeakPolarHBondContact CA-O 3.5Å; D252-L286 HydrophobicContact CB-CB 4.2Å; D252-L286 HydrophobicContact CB-CD2 4.44Å; D252-L286 PolarHBondContact N-O 3.16Å; D252-L286 PolarHBondContact O-N 2Å; I278-L286 HydrophobicContact CG2-CD1 4.12Å; S280-L286 WeakPolarHBondContact O-CA 3.35Å; S280-L286 WeakPolarHBondContact O-CD1 3.18Å; G284-L286 PolarHBondContact O-N 3.01Å; L286-A288 HydrophobicContact CD1-CB 4.18Å; L286-L312 HydrophobicContact CD2-CD1 4.18Å; L286-Q315 VanDerWaalsContact CD2-NE2 3.27Å |
| 287 | V | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 120.7 | 167.7 | -175 | 0 | 0 | 0 | 0 | 108.2 | L249 L250 L251 H279 S280 V285 L380 L381 | L249-V287 HydrophobicContact CD1-CG1 3.96Å; L250-V287 WeakPolarHBondContact O-CA 3.43Å; L251-V287 HydrophobicContact CD2-CG2 4.4Å; L251-V287 HydrophobicContact CG-CG1 4.27Å; L251-V287 HydrophobicContact CG-CG2 4.24Å; H279-V287 HydrophobicContact CB-CB 4.22Å; H279-V287 HydrophobicContact CB-CG1 4.17Å; H279-V287 PolarHBondContact N-O 3.01Å; S280-V287 PolarHBondContact N-O 3.41Å; S280-V287 PolarHBondContact O-N 2.75Å; V285-V287 HydrophobicContact CG1-CG2 4.06Å; V287-L380 HydrophobicContact CG2-CB 4.19Å; V287-L380 HydrophobicContact CG2-CD1 4.32Å; V287-L381 HydrophobicContact CG1-CD2 3.68Å |
| 288 | A | 96.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 150.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L250 T277 I278 L286 L308 L312 | L250-A288 PolarHBondContact N-O 3.37Å; L250-A288 PolarHBondContact O-N 3.29Å; T277-A288 CarbonylContact O-C 3.53Å; T277-A288 VanDerWaalsContact O-CA 3.22Å; T277-A288 WeakPolarHBondContact O-CA 3.24Å; I278-A288 HydrophobicContact CG1-CB 4.35Å; L286-A288 HydrophobicContact CD1-CB 4.18Å; A288-L308 HydrophobicContact CB-CD1 4.1Å; A288-L312 HydrophobicContact CB-CD2 3.53Å |
| 289 | S | 96.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145.9 | -178.6 | 64.5 | 0 | 0 | 0 | 0 | 112.4 | L248 T276 T277 H279 I387 | L248-S289 CarbonylContact O-C 3.54Å; L248-S289 WeakPolarHBondContact O-CA 3.44Å; L248-S289 VanDerWaalsContact O-CB 3.32Å; L248-S289 WeakPolarHBondContact O-CB 3.32Å; T276-S289 CarbonylContact C-O 3.52Å; T276-S289 VanDerWaalsContact CA-O 3.25Å; T276-S289 WeakPolarHBondContact CA-O 3.28Å; T277-S289 PolarHBondContact N-O 2.86Å; T277-S289 PolarHBondContact O-N 3.39Å; H279-S289 PolarHBondContact NE2-OG 2.86Å; S289-I387 WeakPolarHBondContact OG-CG2 3.28Å |
| 290 | Y | 97 | Very high | 91.3 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 134.7 | 165.1 | 165.6 | -92.9 | 0 | 0 | 0 | 108.6 | E246 T247 L248 Q274 K275 H292 V307 | E246-Y290 HydrophobicContact CG-CE1 3.99Å; E246-Y290 PolarHBondContact OE1-OH 2.82Å; T247-Y290 CarbonylContact C-O 3.56Å; T247-Y290 WeakPolarHBondContact CA-O 3.34Å; L248-Y290 PolarHBondContact N-O 2.86Å; L248-Y290 PolarHBondContact O-N 2.86Å; Q274-Y290 HydrophobicContact CG-CD2 4.43Å; Q274-Y290 HydrophobicContact CG-CE2 3.49Å; Q274-Y290 VanDerWaalsContact CG-CE2 3.49Å; Q274-Y290 PolarHBondContact OE1-OH 3Å; K275-Y290 CarbonylContact O-C 3.57Å; K275-Y290 WeakPolarHBondContact O-CA 3.27Å; Y290-H292 HydrophobicContact CE1-CB 3.79Å; Y290-H292 HydrophobicContact CE2-CB 4.45Å; Y290-H292 VanDerWaalsContact OH-CB 3.28Å; Y290-H292 WeakPolarHBondContact OH-CB 3.49Å; Y290-H292 PolarHBondContact OH-ND1 2.89Å; Y290-V307 HydrophobicContact CD1-CB 4.44Å; Y290-V307 HydrophobicContact CD1-CG2 3.66Å; Y290-V307 HydrophobicContact CD2-CB 4.1Å; Y290-V307 HydrophobicContact CD2-CG2 4.1Å; Y290-V307 HydrophobicContact CE1-CB 4.22Å; Y290-V307 HydrophobicContact CE1-CG2 3.71Å; Y290-V307 HydrophobicContact CE2-CB 3.87Å; Y290-V307 HydrophobicContact CE2-CG2 4.15Å; Y290-V307 HydrophobicContact CG-CB 4.37Å; Y290-V307 HydrophobicContact CG-CG2 3.86Å |
| 291 | T | 95.9 | Very high | 91.4 | Very high | 15 Ų | 15 | 32 Ų | 32 | 9% | 0.092 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 130.9 | 176.7 | 59.2 | 0 | 0 | 0 | 0 | 108.8 | T247 Q274 K275 I387 G388 | T247-T291 HydrophobicContact CG2-CG2 3.97Å; Q274-T291 CarbonylContact C-O 3.6Å; Q274-T291 WeakPolarHBondContact CA-O 3.45Å; K275-T291 PolarHBondContact N-O 2.99Å; K275-T291 PolarHBondContact O-N 2.86Å; K275-T291 PolarHBondContact O-OG1 2.86Å; T291-I387 HydrophobicContact CG2-CG2 4.49Å; T291-G388 VanDerWaalsContact CG2-CA 3.45Å |
| 292 | H | 95.2 | Very high | 91.8 | Very high | 32 Ų | 32 | 29.4 Ų | 29.4 | 15% | 0.148 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 127.7 | 174.3 | 174.8 | -151.2 | 0 | 0 | 0 | 110.1 | Q245 E246 S273 Q274 Y290 | Q245-H292 CarbonylContact C-O 3.46Å; Q245-H292 VanDerWaalsContact CA-O 3.3Å; Q245-H292 WeakPolarHBondContact CA-O 3.2Å; E246-H292 HydrophobicContact CG-CB 3.68Å; E246-H292 PolarHBondContact N-O 2.93Å; E246-H292 PolarHBondContact O-N 3.01Å; E246-H292 IonicContact OE1-CE1 2.92Å; E246-H292 IonicContact OE1-CG 3.58Å; E246-H292 IonicContact OE1-ND1 2.75Å; E246-H292 PolarHBondContact OE1-ND1 2.88Å; S273-H292 CarbonylContact O-C 3.58Å; S273-H292 VanDerWaalsContact O-CA 3.24Å; S273-H292 WeakPolarHBondContact O-CA 3.31Å; S273-H292 PolarHBondContact O-CD2 3.34Å; Q274-H292 HydrophobicContact CG-CB 4.3Å; Y290-H292 HydrophobicContact CE1-CB 3.79Å; Y290-H292 HydrophobicContact CE2-CB 4.45Å; Y290-H292 VanDerWaalsContact OH-CB 3.28Å; Y290-H292 WeakPolarHBondContact OH-CB 3.49Å; Y290-H292 PolarHBondContact OH-ND1 2.89Å |
| 293 | F | 94.6 | Very high | 92.4 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 10% | 0.101 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.7 | 172.5 | -62.8 | -86.9 | 0 | 0 | 0 | 108.2 | V243 C244 Q245 S266 A270 N272 S273 | V243-F293 HydrophobicContact CG2-CB 4.26Å; V243-F293 HydrophobicContact CG2-CD1 4.14Å; C244-F293 CarbonylContact O-C 3.52Å; C244-F293 VanDerWaalsContact O-CA 3.26Å; C244-F293 WeakPolarHBondContact O-CA 3.27Å; Q245-F293 HydrophobicContact CB-CD1 3.55Å; Q245-F293 HydrophobicContact CB-CE1 3.49Å; Q245-F293 VanDerWaalsContact CB-CE1 3.49Å; Q245-F293 HydrophobicContact CB-CZ 4.43Å; Q245-F293 HydrophobicContact CG-CE1 4.41Å; S266-F293 WeakPolarHBondContact OG-CE1 3.36Å; A270-F293 HydrophobicContact CB-CB 4.44Å; A270-F293 HydrophobicContact CB-CD1 3.85Å; A270-F293 HydrophobicContact CB-CE1 4.34Å; A270-F293 HydrophobicContact CB-CG 4.15Å; N272-F293 VanDerWaalsContact CA-O 3.26Å; N272-F293 WeakPolarHBondContact CA-O 3.37Å; S273-F293 PolarHBondContact N-O 2.91Å; S273-F293 PolarHBondContact O-N 3.2Å |
| 294 | C | 92.6 | Very high | 93 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 5% | 0.054 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 152.5 | -174 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | V243 C244 N272 C299 | V243-C294 WeakPolarHBondContact CB-O 3.3Å; C244-C294 PolarHBondContact N-O 3.48Å; C244-C294 PolarHBondContact O-N 3.45Å; N272-C294 VanDerWaalsContact OD1-CA 3.27Å; N272-C294 WeakPolarHBondContact OD1-CA 3.42Å; C294-C299 HydrophobicContact CB-CB 3.71Å; C294-C299 WeakPolarHBondContact CB-SG 3.34Å; C294-C299 PolarHBondContact O-SG 3.24Å; C294-C299 WeakPolarHBondContact SG-CB 3.32Å; C294-C299 CovalentContact SG-SG 2Å; C294-C299 PolarHBondContact SG-SG 2.91Å |
| 295 | S | 89.4 | Confident | 93.3 | Very high | 65 Ų | 65 | 26.9 Ų | 26.9 | 46% | 0.455 | 17% | 0.168 | S | C | . | . | trans | -118.7 | 31.4 | -167.3 | -48.7 | 0 | 0 | 0 | 0 | 113.6 | V243 N272 | V243-S295 VanDerWaalsContact CG1-OG 3.3Å; V243-S295 WeakPolarHBondContact CG1-OG 3.35Å; N272-S295 WeakPolarHBondContact OD1-CB 3.33Å; N272-S295 PolarHBondContact OD1-N 2.84Å; N272-S295 PolarHBondContact OD1-OG 2.92Å | ||
| 296 | S | 87.8 | Confident | 93.4 | Very high | 70 Ų | 70 | 28.3 Ų | 28.3 | 49% | 0.49 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -130.6 | 151.2 | 174 | 63.7 | 0 | 0 | 0 | 0 | 110.5 | L209 L298 C299 | L209-S296 WeakPolarHBondContact CD1-O 3.28Å; S296-L298 PolarHBondContact O-N 3.41Å; S296-C299 WeakPolarHBondContact O-CB 3.29Å; S296-C299 PolarHBondContact O-N 3.22Å; S296-C299 VanDerWaalsContact O-N 3.16Å; S296-C299 PolarHBondContact O-SG 2.91Å; S296-C299 WeakPolarHBondContact OG-CB 3.32Å |
| 297 | D | 86.9 | Confident | 93.6 | Very high | 101 Ų | 101 | 30 Ų | 30 | 54% | 0.54 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 133.2 | -173.6 | -74.1 | -41.3 | 0 | 0 | 0 | 111.5 | T210 C299 | T210-D297 PolarHBondContact N-OD1 3.41Å; T210-D297 WeakPolarHBondContact O-CA 3.24Å; D297-C299 PolarHBondContact O-N 3.35Å |
| 298 | L | 89.7 | Confident | 93.6 | Very high | 52 Ų | 52 | 30.1 Ų | 30.1 | 27% | 0.272 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 21.9 | 175.4 | -54.2 | 177.4 | 0 | 0 | 0 | 114.2 | T210 T235 S296 N300 S301 | T210-L298 HydrophobicContact CG2-CD2 3.9Å; T210-L298 PolarHBondContact O-N 2.8Å; T235-L298 HydrophobicContact CG2-CD2 3.61Å; S296-L298 PolarHBondContact O-N 3.41Å; L298-N300 PolarHBondContact O-N 2.83Å; L298-S301 WeakPolarHBondContact O-CB 3.48Å |
| 299 | C | 92.3 | Very high | 93.5 | Very high | 23 Ų | 23 | 31 Ų | 31 | 16% | 0.155 | 19% | 0.194 | C | C | . | . | trans | -67.3 | -21 | -176.7 | 61.8 | 0 | 0 | 0 | 0 | 114.3 | C244 C294 S296 D297 S301 | C244-C299 VanDerWaalsContact CB-SG 3.57Å; C294-C299 HydrophobicContact CB-CB 3.71Å; C294-C299 WeakPolarHBondContact CB-SG 3.34Å; C294-C299 PolarHBondContact O-SG 3.24Å; C294-C299 WeakPolarHBondContact SG-CB 3.32Å; C294-C299 CovalentContact SG-SG 2Å; C294-C299 PolarHBondContact SG-SG 2.91Å; S296-C299 WeakPolarHBondContact O-CB 3.29Å; S296-C299 PolarHBondContact O-N 3.22Å; S296-C299 VanDerWaalsContact O-N 3.16Å; S296-C299 PolarHBondContact O-SG 2.91Å; S296-C299 WeakPolarHBondContact OG-CB 3.32Å; D297-C299 PolarHBondContact O-N 3.35Å; C299-S301 PolarHBondContact O-N 3.11Å | ||
| 300 | N | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -83.3 | 56.4 | 176.3 | 67.9 | -32.2 | 0 | 0 | 0 | 111.3 | H212 C244 Q245 E246 K263 G264 L298 | H212-N300 WeakPolarHBondContact CB-OD1 3.27Å; H212-N300 PolarHBondContact CD2-O 2.87Å; H212-N300 PolarHBondContact N-OD1 2.98Å; H212-N300 PolarHBondContact O-ND2 2.8Å; C244-N300 HydrophobicContact CB-CB 3.85Å; Q245-N300 PolarHBondContact O-ND2 2.84Å; E246-N300 HydrophobicContact CB-CB 3.99Å; E246-N300 HydrophobicContact CG-CB 3.98Å; K263-N300 WeakPolarHBondContact CD-O 3.32Å; K263-N300 VanDerWaalsContact CE-O 3.27Å; K263-N300 WeakPolarHBondContact CE-O 3.24Å; G264-N300 PolarHBondContact N-ND2 2.82Å; L298-N300 PolarHBondContact O-N 2.83Å | ||
| 301 | S | 93.5 | Very high | 93 | Very high | 72 Ų | 72 | 40.2 Ų | 40.2 | 50% | 0.503 | 25% | 0.248 | S | C | . | . | trans | -102.6 | 16.6 | -167.2 | 52.7 | 0 | 0 | 0 | 0 | 114.1 | E246 L298 C299 S303 | E246-S301 PolarHBondContact OE2-N 3.13Å; L298-S301 WeakPolarHBondContact O-CB 3.48Å; C299-S301 PolarHBondContact O-N 3.11Å; S301-S303 PolarHBondContact O-N 2.78Å | ||
| 302 | A | 94.1 | Very high | 92.7 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 10% | 0.099 | 25% | 0.25 | C | C | . | . | trans | -59.4 | 115 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | W230 E246 K263 V307 | W230-A302 HydrophobicContact CZ2-CB 4.18Å; W230-A302 PolarHBondContact NE1-O 2.86Å; E246-A302 WeakPolarHBondContact OE2-CB 3.1Å; E246-A302 PolarHBondContact OE2-N 2.97Å; K263-A302 WeakPolarHBondContact CE-O 3.29Å; K263-A302 PolarHBondContact NZ-O 2.87Å; A302-V307 HydrophobicContact CB-CG1 3.92Å; A302-V307 HydrophobicContact CB-CG2 4.15Å | ||
| 303 | S | 93.4 | Very high | 92.2 | Very high | 64 Ų | 64 | 42.6 Ų | 42.6 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | trans | -95.8 | -4.8 | -176.8 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | D229 W230 S301 | D229-S303 CarbonylContact C-O 3.59Å; D229-S303 WeakPolarHBondContact CA-O 3.45Å; W230-S303 PolarHBondContact N-O 3.49Å; S301-S303 PolarHBondContact O-N 2.78Å | ||
| 304 | S | 94.8 | Very high | 91.2 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 11% | 0.112 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -144.3 | 151.5 | -174.5 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | T228 W230 S306 | T228-S304 WeakPolarHBondContact O-CA 3.45Å; W230-S304 VanDerWaalsContact CD1-C 3.45Å; W230-S304 PolarHBondContact NE1-O 2.97Å; S304-S306 PolarHBondContact O-N 2.87Å; S304-S306 PolarHBondContact OG-N 2.72Å |
| 305 | S | 95 | Very high | 90 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -4.2 | 174.3 | 69.2 | 0 | 0 | 0 | 0 | 113.6 | P227 T228 V307 L308 L309 | P227-S305 WeakPolarHBondContact CA-OG 3.48Å; T228-S305 PolarHBondContact N-OG 3Å; T228-S305 PolarHBondContact O-N 2.92Å; S305-V307 PolarHBondContact O-N 3.07Å; S305-V307 VanDerWaalsContact O-N 3.16Å; S305-L308 WeakPolarHBondContact O-CB 3.25Å; S305-L308 PolarHBondContact O-N 3.43Å; S305-L309 PolarHBondContact O-N 2.85Å |
| 306 | S | 95 | Very high | 88.9 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 22% | 0.224 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -54.6 | -31.2 | 174.4 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | S304 L308 L309 N310 | S304-S306 PolarHBondContact O-N 2.87Å; S304-S306 PolarHBondContact OG-N 2.72Å; S306-L308 PolarHBondContact O-N 2.83Å; S306-L309 PolarHBondContact O-N 3.2Å; S306-N310 VanDerWaalsContact O-CB 3.27Å; S306-N310 WeakPolarHBondContact O-CB 3.22Å; S306-N310 PolarHBondContact O-N 3.09Å; S306-N310 PolarHBondContact O-ND2 2.9Å |
| 307 | V | 95.3 | Very high | 88.2 | Confident | 40 Ų | 40 | 53.5 Ų | 53.5 | 24% | 0.242 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.6 | -28.6 | 174.8 | -60 | 0 | 0 | 0 | 0 | 112.9 | L248 Y290 A302 S305 | L248-V307 HydrophobicContact CD1-CG2 3.77Å; Y290-V307 HydrophobicContact CD1-CB 4.44Å; Y290-V307 HydrophobicContact CD1-CG2 3.66Å; Y290-V307 HydrophobicContact CD2-CB 4.1Å; Y290-V307 HydrophobicContact CD2-CG2 4.1Å; Y290-V307 HydrophobicContact CE1-CB 4.22Å; Y290-V307 HydrophobicContact CE1-CG2 3.71Å; Y290-V307 HydrophobicContact CE2-CB 3.87Å; Y290-V307 HydrophobicContact CE2-CG2 4.15Å; Y290-V307 HydrophobicContact CG-CB 4.37Å; Y290-V307 HydrophobicContact CG-CG2 3.86Å; A302-V307 HydrophobicContact CB-CG1 3.92Å; A302-V307 HydrophobicContact CB-CG2 4.15Å; S305-V307 PolarHBondContact O-N 3.07Å; S305-V307 VanDerWaalsContact O-N 3.16Å |
| 308 | L | 95.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -90.5 | -53.2 | 172.3 | 174.7 | 52 | 0 | 0 | 0 | 111 | L248 L250 L259 T276 A288 S305 S306 N310 S311 L312 | L248-L308 HydrophobicContact CB-CD2 4.25Å; L248-L308 HydrophobicContact CD1-CB 4.48Å; L250-L308 HydrophobicContact CB-CD2 3.59Å; L259-L308 HydrophobicContact CD1-CD2 4.43Å; T276-L308 HydrophobicContact CG2-CD1 3.52Å; A288-L308 HydrophobicContact CB-CD1 4.1Å; S305-L308 WeakPolarHBondContact O-CB 3.25Å; S305-L308 PolarHBondContact O-N 3.43Å; S306-L308 PolarHBondContact O-N 2.83Å; L308-N310 VanDerWaalsContact C-N 3.34Å; L308-N310 PolarHBondContact O-N 2.84Å; L308-S311 WeakPolarHBondContact O-CB 3.14Å; L308-S311 PolarHBondContact O-N 2.93Å; L308-S311 VanDerWaalsContact O-N 3.11Å; L308-L312 HydrophobicContact CD1-CD2 4.29Å |
| 309 | L | 93.6 | Very high | 87.6 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 10% | 0.099 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.4 | -36.9 | -170.2 | -63.6 | -175.3 | 0 | 0 | 0 | 113.7 | P227 L250 S305 S306 S311 L312 | P227-L309 HydrophobicContact CB-CD1 4.42Å; P227-L309 HydrophobicContact CG-CD1 4.12Å; L250-L309 HydrophobicContact CD2-CD2 3.76Å; S305-L309 PolarHBondContact O-N 2.85Å; S306-L309 PolarHBondContact O-N 3.2Å; L309-S311 PolarHBondContact O-N 3.45Å; L309-S311 VanDerWaalsContact O-N 3.1Å; L309-L312 HydrophobicContact CD2-CD1 3.66Å; L309-L312 WeakPolarHBondContact O-CB 3.41Å; L309-L312 PolarHBondContact O-N 2.77Å |
| 310 | N | 92.6 | Very high | 87.5 | Confident | 130 Ų | 130 | 57.9 Ų | 57.9 | 70% | 0.695 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.6 | -180 | -68.5 | -13.5 | 0 | 0 | 0 | 113.3 | S306 L308 | S306-N310 VanDerWaalsContact O-CB 3.27Å; S306-N310 WeakPolarHBondContact O-CB 3.22Å; S306-N310 PolarHBondContact O-N 3.09Å; S306-N310 PolarHBondContact O-ND2 2.9Å; L308-N310 VanDerWaalsContact C-N 3.34Å; L308-N310 PolarHBondContact O-N 2.84Å |
| 311 | S | 91.8 | Very high | 87.3 | Confident | 68 Ų | 68 | 58.7 Ų | 58.7 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -4.7 | 177 | -59.9 | 0 | 0 | 0 | 0 | 112.9 | T276 L308 L309 | T276-S311 PolarHBondContact OG1-OG 2.99Å; L308-S311 WeakPolarHBondContact O-CB 3.14Å; L308-S311 PolarHBondContact O-N 2.93Å; L308-S311 VanDerWaalsContact O-N 3.11Å; L309-S311 PolarHBondContact O-N 3.45Å; L309-S311 VanDerWaalsContact O-N 3.1Å |
| 312 | L | 90 | Very high | 87.1 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 12% | 0.115 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -83.5 | 145.8 | 179 | -59.1 | -179.2 | 0 | 0 | 0 | 110.5 | L250 I278 L286 A288 L308 L309 | L250-L312 HydrophobicContact CD2-CD1 3.92Å; I278-L312 HydrophobicContact CD1-CD2 4.39Å; I278-L312 HydrophobicContact CG1-CD2 4.11Å; L286-L312 HydrophobicContact CD2-CD1 4.18Å; A288-L312 HydrophobicContact CB-CD2 3.53Å; L308-L312 HydrophobicContact CD1-CD2 4.29Å; L309-L312 HydrophobicContact CD2-CD1 3.66Å; L309-L312 WeakPolarHBondContact O-CB 3.41Å; L309-L312 PolarHBondContact O-N 2.77Å |
| 313 | P | 83.3 | Confident | 87.1 | Confident | 75 Ų | 75 | 69.7 Ų | 69.7 | 49% | 0.487 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 144.3 | 173.5 | -20.7 | 31.3 | 0 | 0 | 0 | 110.6 | I278 Q315 | I278-P313 HydrophobicContact CD1-CG 4.01Å; P313-Q315 PolarHBondContact O-N 3.02Å; P313-Q315 VanDerWaalsContact O-N 3.11Å |
| 314 | P | 73.6 | Confident | 87.2 | Confident | 132 Ų | 132 | 71.5 Ų | 71.5 | 86% | 0.857 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -53 | 121.7 | 173.2 | -24.5 | 33 | 0 | 0 | 0 | 110.5 | A316 | P314-A316 PolarHBondContact O-N 3.18Š|
| 315 | Q | 68.1 | Low | 87.1 | Confident | 84 Ų | 84 | 70.7 Ų | 70.7 | 39% | 0.393 | 42% | 0.424 | S | S | . | . | trans | -81.6 | 99.8 | 175.3 | -63.6 | -164.1 | 9.3 | 0 | 0 | 108.9 | L286 P313 | L286-Q315 VanDerWaalsContact CD2-NE2 3.27Å; P313-Q315 PolarHBondContact O-N 3.02Å; P313-Q315 VanDerWaalsContact O-N 3.11Å | ||
| 316 | A | 65.7 | Low | 87 | Confident | 86 Ų | 86 | 72 Ų | 72 | 71% | 0.711 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 150.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | P314 P318 | P314-A316 PolarHBondContact O-N 3.18Å; A316-P318 WeakPolarHBondContact O-CD 3.47Å; A316-P318 VanDerWaalsContact O-N 3.1Å |
| 317 | A | 73.2 | Confident | 86.9 | Confident | 93 Ų | 93 | 70.6 Ų | 70.6 | 77% | 0.769 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 120.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | V319 | A317-V319 PolarHBondContact O-N 2.96Š|
| 318 | P | 77.8 | Confident | 86.8 | Confident | 95 Ų | 95 | 69.2 Ų | 69.2 | 62% | 0.617 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 129.4 | -173.8 | 3.7 | -3.1 | 0 | 0 | 0 | 110.6 | A316 P320 P345 | A316-P318 WeakPolarHBondContact O-CD 3.47Å; A316-P318 VanDerWaalsContact O-N 3.1Å; P318-P320 WeakPolarHBondContact O-CD 3.39Å; P318-P345 HydrophobicContact CB-CB 3.62Å |
| 319 | V | 87.4 | Confident | 86.6 | Confident | 80 Ų | 80 | 69.6 Ų | 69.6 | 49% | 0.485 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 125.8 | 171.5 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | A317 P345 R346 | A317-V319 PolarHBondContact O-N 2.96Å; V319-P345 CarbonylContact O-C 3.59Å; V319-P345 WeakPolarHBondContact O-CA 3.37Å; V319-R346 HydrophobicContact CB-CB 4.41Å; V319-R346 WeakPolarHBondContact O-CB 3.3Å; V319-R346 PolarHBondContact O-N 2.87Å |
| 320 | P | 89.1 | Confident | 86.5 | Confident | 94 Ų | 94 | 73 Ų | 73 | 61% | 0.61 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 138.7 | 179 | -24.6 | 34.4 | 0 | 0 | 0 | 112.3 | P318 T343 | P318-P320 WeakPolarHBondContact O-CD 3.39Å; P320-T343 HydrophobicContact CB-CG2 4.2Å |
| 321 | G | 90.6 | Very high | 86.3 | Confident | 16 Ų | 16 | 68.2 Ų | 68.2 | 17% | 0.165 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -165.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112 | T343 C344 | G321-T343 WeakPolarHBondContact O-CG2 3.38Å; G321-C344 WeakPolarHBondContact CA-O 3.22Å; G321-C344 PolarHBondContact N-O 2.88Å |
| 322 | D | 90.5 | Very high | 85.8 | Confident | 179 Ų | 179 | 71.4 Ų | 71.4 | 96% | 0.957 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -6.1 | -172.5 | -52.2 | -52.3 | 0 | 0 | 0 | 113.8 | ||
| 323 | R | 93 | Very high | 85.5 | Confident | 136 Ų | 136 | 71.4 Ų | 71.4 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 142.9 | -177.7 | -170 | 67.3 | -178.9 | -175.7 | -2.7 | 110.9 | C344 | R323-C344 HydrophobicContact CB-CB 4.2Å; R323-C344 WeakPolarHBondContact O-CB 3.49Å; R323-C344 PolarHBondContact O-N 2.77Å |
| 324 | Q | 94.6 | Very high | 85.7 | Confident | 102 Ų | 102 | 72.6 Ų | 72.6 | 48% | 0.477 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 134.9 | 167.8 | -70.1 | -175.2 | -12.9 | 0 | 0 | 111.2 | R341 M342 | Q324-R341 PolarHBondContact O-NH2 2.79Å; Q324-R341 VanDerWaalsContact O-NH2 3.09Å; Q324-M342 WeakPolarHBondContact CA-O 3.1Å |
| 325 | C | 93.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150.9 | 177.9 | -65.2 | 0 | 0 | 0 | 0 | 111.1 | R341 M342 C344 C351 | C325-R341 VanDerWaalsContact O-CA 3.31Å; C325-R341 WeakPolarHBondContact O-CA 3.31Å; C325-M342 PolarHBondContact N-O 2.78Å; C325-M342 VanDerWaalsContact N-O 3.15Å; C325-M342 PolarHBondContact O-N 2.74Å; C325-C344 PolarHBondContact SG-SG 3.35Å; C325-C351 VanDerWaalsContact CA-SG 3.5Å; C325-C351 HydrophobicContact CB-CB 3.74Å; C325-C351 WeakPolarHBondContact CB-SG 3.44Å; C325-C351 WeakPolarHBondContact SG-CA 3.39Å; C325-C351 WeakPolarHBondContact SG-CB 3.18Å; C325-C351 CovalentContact SG-SG 2.03Å; C325-C351 PolarHBondContact SG-SG 3.24Å |
| 326 | P | 93.6 | Very high | 87.2 | Confident | 28 Ų | 28 | 66.8 Ų | 66.8 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 144.4 | 163.8 | 28.8 | -33.2 | 0 | 0 | 0 | 109.3 | P340 Q370 G371 | P326-P340 CarbonylContact C-O 3.56Å; P326-P340 WeakPolarHBondContact CA-O 3.35Å; P326-Q370 HydrophobicContact CB-CB 4.32Å; P326-Q370 HydrophobicContact CG-CB 4.3Å; P326-Q370 CarbonylContact O-C 3.58Å; P326-G371 WeakPolarHBondContact O-CA 3.18Å; P326-G371 PolarHBondContact O-N 3.49Å |
| 327 | T | 92.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.012 | 41% | 0.412 | C | S | . | . | trans | -129.6 | 128.1 | 176.5 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | V253 L255 P340 M342 Q370 | V253-T327 VanDerWaalsContact CG2-OG1 3.24Å; V253-T327 WeakPolarHBondContact CG2-OG1 3.49Å; V253-T327 PolarHBondContact O-OG1 3.32Å; L255-T327 HydrophobicContact CB-CG2 4.05Å; L255-T327 HydrophobicContact CD1-CG2 3.33Å; L255-T327 HydrophobicContact CG-CG2 3.68Å; T327-P340 HydrophobicContact CG2-CG 4.3Å; T327-P340 WeakPolarHBondContact CG2-O 3.44Å; T327-P340 PolarHBondContact N-O 3.36Å; T327-M342 HydrophobicContact CG2-CB 4.06Å; T327-M342 HydrophobicContact CG2-CG 3.89Å; T327-M342 HydrophobicContact CG2-SD 4.02Å; T327-Q370 WeakPolarHBondContact CA-O 3.4Å | ||
| 328 | C | 92.4 | Very high | 88.1 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 8% | 0.081 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 137.6 | -178.8 | 160.3 | 0 | 0 | 0 | 0 | 109.1 | C335 I369 Q370 | C328-C335 HydrophobicContact CB-CB 3.68Å; C328-C335 WeakPolarHBondContact CB-SG 3.34Å; C328-C335 WeakPolarHBondContact SG-CA 3.49Å; C328-C335 WeakPolarHBondContact SG-CB 3.43Å; C328-C335 CovalentContact SG-SG 2.04Å; C328-C335 PolarHBondContact SG-SG 3.41Å; C328-I369 CarbonylContact O-C 3.41Å; C328-I369 WeakPolarHBondContact O-CA 3.15Å; C328-Q370 HydrophobicContact CB-CB 4.25Å; C328-Q370 PolarHBondContact N-O 3.34Å; C328-Q370 PolarHBondContact O-N 3.16Å |
| 329 | V | 92.8 | Very high | 88.6 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 6% | 0.055 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.1 | 161 | 61.2 | 0 | 0 | 0 | 0 | 107.4 | L251 V253 T258 S368 I369 | L251-V329 HydrophobicContact CB-CG2 4.42Å; V253-V329 HydrophobicContact CG1-CB 4.21Å; V253-V329 HydrophobicContact CG2-CB 4.19Å; V253-V329 HydrophobicContact CG2-CG1 4.05Å; T258-V329 WeakPolarHBondContact OG1-CG1 3.29Å; T258-V329 WeakPolarHBondContact OG1-CG2 3.48Å; V329-S368 WeakPolarHBondContact CA-O 3.36Å; V329-I369 HydrophobicContact CG2-CG1 4.4Å |
| 330 | Q | 90.8 | Very high | 88.7 | Confident | 91 Ų | 91 | 63.9 Ų | 63.9 | 43% | 0.425 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 104.3 | -175.7 | -162.2 | 157.1 | -26.7 | 0 | 0 | 110.8 | S368 | Q330-S368 PolarHBondContact N-O 3.3Å; Q330-S368 PolarHBondContact O-N 3.01Å; Q330-S368 VanDerWaalsContact O-N 3.09Å |
| 331 | P | 87.8 | Confident | 88.8 | Confident | 28 Ų | 28 | 66.7 Ų | 66.7 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 142.5 | 171 | 28.3 | -31.8 | 0 | 0 | 0 | 110 | I217 T258 G333 M367 | I217-P331 HydrophobicContact CG2-CB 3.76Å; I217-P331 HydrophobicContact CG2-CG 3.75Å; T258-P331 HydrophobicContact CG2-CG 4.27Å; P331-G333 PolarHBondContact O-N 3.34Å; P331-M367 HydrophobicContact CB-CG 4.35Å |
| 332 | L | 81.2 | Confident | 88.8 | Confident | 136 Ų | 136 | 67.8 Ų | 67.8 | 71% | 0.712 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 10 | 177.8 | -55.1 | 165.7 | 0 | 0 | 0 | 115.1 | K366 | L332-K366 PolarHBondContact N-O 3.1Š|
| 333 | G | 84 | Confident | 89 | Confident | 21 Ų | 21 | 62.3 Ų | 62.3 | 22% | 0.216 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -141.8 | -168.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | P331 S368 | P331-G333 PolarHBondContact O-N 3.34Å; G333-S368 WeakPolarHBondContact O-CB 3.32Å; G333-S368 PolarHBondContact O-OG 3.32Å |
| 334 | T | 87.6 | Confident | 88.9 | Confident | 100 Ų | 100 | 55.9 Ų | 55.9 | 61% | 0.613 | 33% | 0.333 | S | S | * | . | trans | -124.3 | 144.2 | 176.8 | 56.7 | 0 | 0 | 0 | 0 | 110.4 | S368 | T334-S368 WeakPolarHBondContact CA-OG 3.48Š| ||
| 335 | C | 89.5 | Confident | 88.8 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | trans | -71.6 | 135.2 | 172.2 | -66 | 0 | 0 | 0 | 0 | 109.7 | C328 S368 Q370 | C328-C335 HydrophobicContact CB-CB 3.68Å; C328-C335 WeakPolarHBondContact CB-SG 3.34Å; C328-C335 WeakPolarHBondContact SG-CA 3.49Å; C328-C335 WeakPolarHBondContact SG-CB 3.43Å; C328-C335 CovalentContact SG-SG 2.04Å; C328-C335 PolarHBondContact SG-SG 3.41Å; C335-S368 PolarHBondContact SG-O 2.84Å; C335-Q370 HydrophobicContact CB-CG 3.91Å | ||
| 336 | S | 84.5 | Confident | 88.7 | Confident | 72 Ų | 72 | 60 Ų | 60 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | trans | -77.6 | 156.3 | -178.7 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | G338 S339 | S336-G338 PolarHBondContact O-N 2.86Å; S336-G338 PolarHBondContact OG-N 2.8Å; S336-S339 PolarHBondContact O-N 2.82Å; S336-S339 VanDerWaalsContact O-N 3.15Å; S336-S339 PolarHBondContact O-OG 3.24Å | ||
| 337 | S | 75.3 | Confident | 88.4 | Confident | 134 Ų | 134 | 60.7 Ų | 60.7 | 94% | 0.937 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.2 | 167.6 | 50.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 338 | G | 81.4 | Confident | 88.4 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 67% | 0.67 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 16.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S336 | S336-G338 PolarHBondContact O-N 2.86Å; S336-G338 PolarHBondContact OG-N 2.8Å |
| 339 | S | 87.5 | Confident | 88.3 | Confident | 15 Ų | 15 | 64 Ų | 64 | 11% | 0.105 | 38% | 0.378 | C | S | . | . | trans | -51.6 | 142.9 | 177 | -66.9 | 0 | 0 | 0 | 0 | 112 | S336 Q370 | S336-S339 PolarHBondContact O-N 2.82Å; S336-S339 VanDerWaalsContact O-N 3.15Å; S336-S339 PolarHBondContact O-OG 3.24Å; S339-Q370 PolarHBondContact OG-OE1 2.96Å | ||
| 340 | P | 89.8 | Confident | 88.3 | Confident | 79 Ų | 79 | 66.8 Ų | 66.8 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | trans | -56.9 | 147.3 | 177.7 | 24.9 | -33.1 | 0 | 0 | 0 | 110.2 | L255 P326 T327 | L255-P340 HydrophobicContact CD1-CB 4.2Å; L255-P340 HydrophobicContact CD1-CG 4.29Å; P326-P340 CarbonylContact C-O 3.56Å; P326-P340 WeakPolarHBondContact CA-O 3.35Å; T327-P340 HydrophobicContact CG2-CG 4.3Å; T327-P340 WeakPolarHBondContact CG2-O 3.44Å; T327-P340 PolarHBondContact N-O 3.36Å | ||
| 341 | R | 92 | Very high | 88.4 | Confident | 153 Ų | 153 | 65 Ų | 65 | 58% | 0.577 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 137.4 | 179.3 | -60.9 | 179.4 | 71.8 | 87.2 | 1.8 | 109.3 | Q324 C325 | Q324-R341 PolarHBondContact O-NH2 2.79Å; Q324-R341 VanDerWaalsContact O-NH2 3.09Å; C325-R341 VanDerWaalsContact O-CA 3.31Å; C325-R341 WeakPolarHBondContact O-CA 3.31Å |
| 342 | M | 90.6 | Very high | 88.6 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 19% | 0.192 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 149.7 | 173.1 | 69.5 | 176.9 | -70.1 | 0 | 0 | 110.9 | L255 Q324 C325 T327 C344 | L255-M342 HydrophobicContact CG-CB 4.46Å; Q324-M342 WeakPolarHBondContact CA-O 3.1Å; C325-M342 PolarHBondContact N-O 2.78Å; C325-M342 VanDerWaalsContact N-O 3.15Å; C325-M342 PolarHBondContact O-N 2.74Å; T327-M342 HydrophobicContact CG2-CB 4.06Å; T327-M342 HydrophobicContact CG2-CG 3.89Å; T327-M342 HydrophobicContact CG2-SD 4.02Å; M342-C344 PolarHBondContact O-N 3.23Å |
| 343 | T | 94.1 | Very high | 89.1 | Confident | 65 Ų | 65 | 62 Ų | 62 | 40% | 0.399 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 122.8 | 167.7 | -57.2 | 0 | 0 | 0 | 0 | 108.5 | P320 G321 | P320-T343 HydrophobicContact CB-CG2 4.2Å; G321-T343 WeakPolarHBondContact O-CG2 3.38Å |
| 344 | C | 92.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 145.2 | -178.3 | -64.8 | 0 | 0 | 0 | 0 | 111.3 | G321 R323 C325 M342 A348 C372 | G321-C344 WeakPolarHBondContact CA-O 3.22Å; G321-C344 PolarHBondContact N-O 2.88Å; R323-C344 HydrophobicContact CB-CB 4.2Å; R323-C344 WeakPolarHBondContact O-CB 3.49Å; R323-C344 PolarHBondContact O-N 2.77Å; C325-C344 PolarHBondContact SG-SG 3.35Å; M342-C344 PolarHBondContact O-N 3.23Å; C344-A348 HydrophobicContact CB-CB 4.16Å; C344-A348 WeakPolarHBondContact CB-O 3.34Å; C344-C372 WeakPolarHBondContact CA-SG 3.11Å; C344-C372 HydrophobicContact CB-CB 3.64Å; C344-C372 WeakPolarHBondContact CB-SG 3.49Å; C344-C372 WeakPolarHBondContact SG-CB 3.34Å; C344-C372 CovalentContact SG-SG 2.04Å; C344-C372 PolarHBondContact SG-SG 2.79Å |
| 345 | P | 91.7 | Very high | 89.7 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 151.1 | 172.6 | 23.9 | -32.2 | 0 | 0 | 0 | 111.5 | P283 P318 V319 G347 A348 | P283-P345 HydrophobicContact CB-CB 3.92Å; P283-P345 HydrophobicContact CB-CG 3.77Å; P318-P345 HydrophobicContact CB-CB 3.62Å; V319-P345 CarbonylContact O-C 3.59Å; V319-P345 WeakPolarHBondContact O-CA 3.37Å; P345-G347 PolarHBondContact O-N 2.87Å; P345-A348 HydrophobicContact CG-CB 3.82Å; P345-A348 WeakPolarHBondContact O-CB 3.37Å; P345-A348 PolarHBondContact O-N 3.02Å |
| 346 | R | 90.7 | Very high | 89.9 | Confident | 176 Ų | 176 | 57.6 Ų | 57.6 | 66% | 0.664 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 128.4 | 174.2 | -174.8 | 178.8 | -70.8 | 171.4 | -2.8 | 109.7 | V319 | V319-R346 HydrophobicContact CB-CB 4.41Å; V319-R346 WeakPolarHBondContact O-CB 3.3Å; V319-R346 PolarHBondContact O-N 2.87Å |
| 347 | G | 87.9 | Confident | 90.3 | Very high | 42 Ų | 42 | 57.1 Ų | 57.1 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -22.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P345 T349 A374 | P345-G347 PolarHBondContact O-N 2.87Å; G347-T349 PolarHBondContact O-N 2.81Å; G347-A374 WeakPolarHBondContact O-CA 3.33Å |
| 348 | A | 91.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 2% | 0.017 | 28% | 0.28 | C | S | . | . | trans | -92.4 | 91 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | P283 C344 P345 C372 V373 | P283-A348 HydrophobicContact CB-CB 4.37Å; C344-A348 HydrophobicContact CB-CB 4.16Å; C344-A348 WeakPolarHBondContact CB-O 3.34Å; P345-A348 HydrophobicContact CG-CB 3.82Å; P345-A348 WeakPolarHBondContact O-CB 3.37Å; P345-A348 PolarHBondContact O-N 3.02Å; A348-C372 HydrophobicContact CB-CB 3.86Å; A348-V373 CarbonylContact C-O 3.59Å; A348-V373 WeakPolarHBondContact CA-O 3.03Å | ||
| 349 | T | 92.1 | Very high | 91.8 | Very high | 80 Ų | 80 | 49.5 Ų | 49.5 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | trans | -99.4 | -3.9 | -170.1 | 50 | 0 | 0 | 0 | 0 | 114.1 | G347 V373 A374 | G347-T349 PolarHBondContact O-N 2.81Å; T349-V373 PolarHBondContact N-O 3.13Å; T349-A374 PolarHBondContact OG1-O 2.89Å | ||
| 350 | H | 92.6 | Very high | 92 | Very high | 69 Ų | 69 | 50 Ų | 50 | 32% | 0.319 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 158.8 | -174 | -58 | 81.4 | 0 | 0 | 0 | 112 | C372 V373 A374 | H350-C372 WeakPolarHBondContact O-CA 2.99Å; H350-V373 HydrophobicContact CB-CG2 3.91Å; H350-V373 PolarHBondContact N-O 3.44Å; H350-V373 VanDerWaalsContact N-O 3.13Å; H350-V373 PolarHBondContact O-N 3.26Å; H350-A374 PolarHBondContact ND1-O 3.47Å |
| 351 | C | 92.2 | Very high | 91.9 | Very high | 54 Ų | 54 | 47.5 Ų | 47.5 | 37% | 0.365 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 135.4 | 174.6 | -51.7 | 0 | 0 | 0 | 0 | 110.5 | C325 G371 | C325-C351 VanDerWaalsContact CA-SG 3.5Å; C325-C351 HydrophobicContact CB-CB 3.74Å; C325-C351 WeakPolarHBondContact CB-SG 3.44Å; C325-C351 WeakPolarHBondContact SG-CA 3.39Å; C325-C351 WeakPolarHBondContact SG-CB 3.18Å; C325-C351 CovalentContact SG-SG 2.03Å; C325-C351 PolarHBondContact SG-SG 3.24Å; C351-G371 WeakPolarHBondContact CA-O 2.99Å |
| 352 | Y | 91.9 | Very high | 91.7 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 4% | 0.035 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 139.3 | 172.2 | 179.7 | -95.4 | 0 | 0 | 0 | 110.4 | I369 Q370 G371 V373 L380 | Y352-I369 HydrophobicContact CD1-CB 4.35Å; Y352-I369 HydrophobicContact CD1-CG2 4.01Å; Y352-I369 HydrophobicContact CE1-CB 3.95Å; Y352-I369 HydrophobicContact CE1-CG2 3.99Å; Y352-Q370 VanDerWaalsContact O-CA 3.3Å; Y352-Q370 WeakPolarHBondContact O-CA 3.43Å; Y352-G371 PolarHBondContact N-O 2.92Å; Y352-G371 PolarHBondContact O-N 3.25Å; Y352-V373 HydrophobicContact CG-CG1 4.42Å; Y352-L380 HydrophobicContact CD1-CD1 3.87Å; Y352-L380 HydrophobicContact CD1-CG 4.27Å; Y352-L380 HydrophobicContact CD2-CD2 4.34Å; Y352-L380 HydrophobicContact CD2-CG 4.25Å; Y352-L380 HydrophobicContact CE1-CD1 3.42Å; Y352-L380 VanDerWaalsContact CE1-CD1 3.42Å; Y352-L380 HydrophobicContact CE1-CG 3.88Å; Y352-L380 HydrophobicContact CE2-CD1 4.35Å; Y352-L380 HydrophobicContact CE2-CD2 4.45Å; Y352-L380 HydrophobicContact CE2-CG 3.88Å; Y352-L380 HydrophobicContact CG-CD1 4.49Å; Y352-L380 HydrophobicContact CG-CD2 4.38Å; Y352-L380 HydrophobicContact CG-CG 4.43Å |
| 353 | D | 91.5 | Very high | 91.7 | Very high | 90 Ų | 90 | 43.2 Ų | 43.2 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 106.5 | 170.2 | -177.8 | -54.9 | 0 | 0 | 0 | 109 | Q370 K395 | D353-Q370 HydrophobicContact CB-CG 4.44Å; D353-Q370 PolarHBondContact OD2-NE2 2.04Å; D353-K395 PolarHBondContact O-NZ 2.79Å; D353-K395 VanDerWaalsContact O-NZ 3.09Å; D353-K395 IonicContact OD1-NZ 2.75Å; D353-K395 PolarHBondContact OD1-NZ 2.9Å |
| 354 | G | 91.3 | Very high | 91.6 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | -168.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | I369 | G354-I369 PolarHBondContact N-O 2.94Å; G354-I369 PolarHBondContact O-N 3.17Å |
| 355 | Y | 92.4 | Very high | 91.6 | Very high | 46 Ų | 46 | 44 Ų | 44 | 18% | 0.18 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 155.2 | 172.8 | 65.9 | -98.1 | 0 | 0 | 0 | 110.6 | K366 M367 E394 K395 V398 | Y355-K366 HydrophobicContact CD2-CD 4.27Å; Y355-K366 HydrophobicContact CD2-CG 4.01Å; Y355-K366 HydrophobicContact CG-CD 4.39Å; Y355-K366 HydrophobicContact CG-CG 4.27Å; Y355-M367 CarbonylContact C-O 3.52Å; Y355-M367 WeakPolarHBondContact CA-O 3.49Å; Y355-M367 VanDerWaalsContact CB-O 3.29Å; Y355-M367 WeakPolarHBondContact CB-O 3.45Å; Y355-E394 WeakPolarHBondContact O-CA 3.5Å; Y355-K395 HydrophobicContact CD1-CB 3.79Å; Y355-K395 HydrophobicContact CD1-CD 4.15Å; Y355-K395 HydrophobicContact CD1-CG 3.99Å; Y355-K395 HydrophobicContact CE1-CB 3.6Å; Y355-K395 HydrophobicContact CE1-CD 4.21Å; Y355-K395 HydrophobicContact CE1-CG 3.61Å; Y355-K395 HydrophobicContact CG-CB 4.41Å; Y355-K395 PolarHBondContact O-N 3.26Å; Y355-V398 WeakPolarHBondContact OH-CG2 3.13Å |
| 356 | I | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.3 | 168.6 | -61 | 175.5 | 0 | 0 | 0 | 107.3 | L251 L358 M367 I369 L380 L381 A392 E394 | L251-I356 HydrophobicContact CD2-CD1 4.04Å; I356-L358 HydrophobicContact CG2-CD2 3.8Å; I356-L358 HydrophobicContact CG2-CG 4.14Å; I356-M367 HydrophobicContact CB-CE 4.02Å; I356-M367 HydrophobicContact CG2-CE 4.05Å; I356-M367 PolarHBondContact N-O 2.97Å; I356-M367 PolarHBondContact O-N 2.77Å; I356-I369 HydrophobicContact CB-CD1 4.3Å; I356-I369 HydrophobicContact CD1-CD1 3.67Å; I356-I369 HydrophobicContact CG1-CD1 3.7Å; I356-L380 HydrophobicContact CD1-CB 4.5Å; I356-L381 HydrophobicContact CD1-CD1 4.02Å; I356-L381 HydrophobicContact CD1-CD2 4.08Å; I356-L381 HydrophobicContact CD1-CG 3.86Å; I356-L381 HydrophobicContact CG1-CD1 4.4Å; I356-L381 HydrophobicContact CG2-CD1 3.91Å; I356-A392 HydrophobicContact CG2-CB 4.43Å; I356-E394 HydrophobicContact CG1-CG 4.23Å |
| 357 | H | 93.8 | Very high | 91.8 | Very high | 62 Ų | 62 | 39 Ų | 39 | 29% | 0.287 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 121.2 | 169.3 | -174.9 | -83.9 | 0 | 0 | 0 | 109 | A392 R393 | H357-A392 CarbonylContact O-C 3.6Å; H357-A392 WeakPolarHBondContact O-CA 3.37Å; H357-R393 HydrophobicContact CB-CB 4.47Å; H357-R393 PolarHBondContact N-O 2.82Å; H357-R393 PolarHBondContact O-N 3.15Å |
| 358 | L | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 136.8 | 175.2 | -62.1 | 177.7 | 0 | 0 | 0 | 109.9 | L249 V260 I356 S364 T365 M367 F390 S391 A392 | L249-L358 HydrophobicContact CD2-CD1 3.67Å; L249-L358 HydrophobicContact CD2-CD2 4.09Å; L249-L358 HydrophobicContact CD2-CG 4.45Å; V260-L358 HydrophobicContact CG1-CD1 4.27Å; V260-L358 HydrophobicContact CG2-CD1 4.49Å; I356-L358 HydrophobicContact CG2-CD2 3.8Å; I356-L358 HydrophobicContact CG2-CG 4.14Å; L358-S364 CarbonylContact O-C 3.52Å; L358-S364 VanDerWaalsContact O-CA 3.31Å; L358-S364 WeakPolarHBondContact O-CA 3.27Å; L358-T365 HydrophobicContact CB-CG2 4.16Å; L358-T365 HydrophobicContact CD1-CG2 4.28Å; L358-T365 PolarHBondContact N-O 3.11Å; L358-T365 PolarHBondContact O-N 2.98Å; L358-M367 HydrophobicContact CD1-CE 3.39Å; L358-M367 HydrophobicContact CD1-SD 4.2Å; L358-M367 HydrophobicContact CG-CE 3.77Å; L358-F390 HydrophobicContact CD2-CB 4.28Å; L358-S391 WeakPolarHBondContact CA-O 3.36Å; L358-A392 HydrophobicContact CD2-CB 3.78Å |
| 359 | S | 93.9 | Very high | 92.2 | Very high | 40 Ų | 40 | 37.4 Ų | 37.4 | 28% | 0.28 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 129 | 171.6 | 57.9 | 0 | 0 | 0 | 0 | 110.3 | L363 S391 | S359-L363 CarbonylContact C-O 3.52Å; S359-L363 WeakPolarHBondContact CA-O 3.44Å; S359-S391 PolarHBondContact N-O 3Å; S359-S391 PolarHBondContact O-N 3.09Å |
| 360 | G | 91.7 | Very high | 92.3 | Very high | 24 Ų | 24 | 34.2 Ų | 34.2 | 25% | 0.247 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.3 | 160.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G362 L363 F390 | G360-G362 VanDerWaalsContact C-N 3.28Å; G360-G362 PolarHBondContact O-N 3.36Å; G360-L363 PolarHBondContact N-O 2.83Å; G360-L363 PolarHBondContact O-N 3.15Å; G360-F390 WeakPolarHBondContact O-CE1 3.42Å |
| 361 | G | 87.1 | Confident | 92.3 | Very high | 28 Ų | 28 | 31 Ų | 31 | 29% | 0.289 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 37.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T215 T262 L363 | T215-G361 WeakPolarHBondContact CG2-O 3.42Å; T262-G361 PolarHBondContact OG1-O 3.21Å; G361-L363 PolarHBondContact O-N 3.19Å |
| 362 | G | 88.6 | Confident | 92.4 | Very high | 81 Ų | 81 | 28.5 Ų | 28.5 | 84% | 0.835 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 4.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G360 | G360-G362 VanDerWaalsContact C-N 3.28Å; G360-G362 PolarHBondContact O-N 3.36Å |
| 363 | L | 90.1 | Very high | 92.4 | Very high | 21 Ų | 21 | 28.7 Ų | 28.7 | 11% | 0.11 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 138.1 | 179 | -166.6 | 72.1 | 0 | 0 | 0 | 111.3 | T215 I217 V260 S359 G360 G361 T365 F390 | T215-L363 HydrophobicContact CG2-CB 4.14Å; T215-L363 HydrophobicContact CG2-CD1 4.5Å; I217-L363 HydrophobicContact CD1-CD1 3.82Å; I217-L363 HydrophobicContact CD1-CD2 4.25Å; I217-L363 HydrophobicContact CD1-CG 4.47Å; I217-L363 HydrophobicContact CG1-CD1 4.25Å; I217-L363 HydrophobicContact CG1-CD2 4.24Å; V260-L363 HydrophobicContact CG1-CD2 3.18Å; S359-L363 CarbonylContact C-O 3.52Å; S359-L363 WeakPolarHBondContact CA-O 3.44Å; G360-L363 PolarHBondContact N-O 2.83Å; G360-L363 PolarHBondContact O-N 3.15Å; G361-L363 PolarHBondContact O-N 3.19Å; L363-T365 HydrophobicContact CD2-CG2 4.13Å; L363-T365 HydrophobicContact CG-CG2 4.4Å; L363-F390 HydrophobicContact CB-CE1 4.12Å; L363-F390 HydrophobicContact CD2-CE1 4.03Å; L363-F390 HydrophobicContact CD2-CZ 4.15Å |
| 364 | S | 93.2 | Very high | 92.3 | Very high | 78 Ų | 78 | 26.5 Ų | 26.5 | 55% | 0.545 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 115.9 | 166.1 | -171.1 | 0 | 0 | 0 | 0 | 108.8 | L358 | L358-S364 CarbonylContact O-C 3.52Å; L358-S364 VanDerWaalsContact O-CA 3.31Å; L358-S364 WeakPolarHBondContact O-CA 3.27Å |
| 365 | T | 92.5 | Very high | 92 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 143.5 | -177 | -172.2 | 0 | 0 | 0 | 0 | 112 | I217 L358 L363 M367 | I217-T365 HydrophobicContact CD1-CG2 4.14Å; L358-T365 HydrophobicContact CB-CG2 4.16Å; L358-T365 HydrophobicContact CD1-CG2 4.28Å; L358-T365 PolarHBondContact N-O 3.11Å; L358-T365 PolarHBondContact O-N 2.98Å; L363-T365 HydrophobicContact CD2-CG2 4.13Å; L363-T365 HydrophobicContact CG-CG2 4.4Å; T365-M367 HydrophobicContact CG2-CG 4.4Å |
| 366 | K | 93.5 | Very high | 91.3 | Very high | 84 Ų | 84 | 36.2 Ų | 36.2 | 37% | 0.365 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.4 | 169.7 | -174.9 | -176.4 | 177.6 | -177.9 | 0 | 108.3 | L332 Y355 | L332-K366 PolarHBondContact N-O 3.1Å; Y355-K366 HydrophobicContact CD2-CD 4.27Å; Y355-K366 HydrophobicContact CD2-CG 4.01Å; Y355-K366 HydrophobicContact CG-CD 4.39Å; Y355-K366 HydrophobicContact CG-CG 4.27Å |
| 367 | M | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 114.3 | 176.1 | -61 | 176.2 | -60.8 | 0 | 0 | 108.6 | L249 L251 T258 V260 P331 Y355 I356 L358 T365 | L249-M367 HydrophobicContact CD2-CE 4.08Å; L251-M367 HydrophobicContact CD1-CE 3.64Å; L251-M367 HydrophobicContact CD1-SD 3.71Å; L251-M367 HydrophobicContact CD2-CE 4.03Å; L251-M367 HydrophobicContact CD2-SD 4.42Å; T258-M367 HydrophobicContact CG2-SD 4.36Å; V260-M367 HydrophobicContact CG2-SD 3.74Å; P331-M367 HydrophobicContact CB-CG 4.35Å; Y355-M367 CarbonylContact C-O 3.52Å; Y355-M367 WeakPolarHBondContact CA-O 3.49Å; Y355-M367 VanDerWaalsContact CB-O 3.29Å; Y355-M367 WeakPolarHBondContact CB-O 3.45Å; I356-M367 HydrophobicContact CB-CE 4.02Å; I356-M367 HydrophobicContact CG2-CE 4.05Å; I356-M367 PolarHBondContact N-O 2.97Å; I356-M367 PolarHBondContact O-N 2.77Å; L358-M367 HydrophobicContact CD1-CE 3.39Å; L358-M367 HydrophobicContact CD1-SD 4.2Å; L358-M367 HydrophobicContact CG-CE 3.77Å; T365-M367 HydrophobicContact CG2-CG 4.4Å |
| 368 | S | 93.7 | Very high | 89.1 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 137.8 | 171.4 | -62.5 | 0 | 0 | 0 | 0 | 109.6 | V329 Q330 G333 T334 C335 | V329-S368 WeakPolarHBondContact CA-O 3.36Å; Q330-S368 PolarHBondContact N-O 3.3Å; Q330-S368 PolarHBondContact O-N 3.01Å; Q330-S368 VanDerWaalsContact O-N 3.09Å; G333-S368 WeakPolarHBondContact O-CB 3.32Å; G333-S368 PolarHBondContact O-OG 3.32Å; T334-S368 WeakPolarHBondContact CA-OG 3.48Å; C335-S368 PolarHBondContact SG-O 2.84Å |
| 369 | I | 93.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 128.4 | -168.2 | -54.8 | 157.3 | 0 | 0 | 0 | 109.4 | L251 V253 C328 V329 Y352 G354 I356 L380 | L251-I369 HydrophobicContact CD2-CD1 3.4Å; L251-I369 HydrophobicContact CD2-CG1 4.01Å; V253-I369 HydrophobicContact CG1-CG2 3.86Å; C328-I369 CarbonylContact O-C 3.41Å; C328-I369 WeakPolarHBondContact O-CA 3.15Å; V329-I369 HydrophobicContact CG2-CG1 4.4Å; Y352-I369 HydrophobicContact CD1-CB 4.35Å; Y352-I369 HydrophobicContact CD1-CG2 4.01Å; Y352-I369 HydrophobicContact CE1-CB 3.95Å; Y352-I369 HydrophobicContact CE1-CG2 3.99Å; G354-I369 PolarHBondContact N-O 2.94Å; G354-I369 PolarHBondContact O-N 3.17Å; I356-I369 HydrophobicContact CB-CD1 4.3Å; I356-I369 HydrophobicContact CD1-CD1 3.67Å; I356-I369 HydrophobicContact CG1-CD1 3.7Å; I369-L380 HydrophobicContact CD1-CD1 3.94Å; I369-L380 HydrophobicContact CG2-CD1 3.95Å |
| 370 | Q | 93.6 | Very high | 88.6 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 7% | 0.065 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 139.4 | 167 | -68.5 | 175.4 | -29.3 | 0 | 0 | 108.8 | P326 T327 C328 C335 S339 Y352 D353 | P326-Q370 HydrophobicContact CB-CB 4.32Å; P326-Q370 HydrophobicContact CG-CB 4.3Å; P326-Q370 CarbonylContact O-C 3.58Å; T327-Q370 WeakPolarHBondContact CA-O 3.4Å; C328-Q370 HydrophobicContact CB-CB 4.25Å; C328-Q370 PolarHBondContact N-O 3.34Å; C328-Q370 PolarHBondContact O-N 3.16Å; C335-Q370 HydrophobicContact CB-CG 3.91Å; S339-Q370 PolarHBondContact OG-OE1 2.96Å; Y352-Q370 VanDerWaalsContact O-CA 3.3Å; Y352-Q370 WeakPolarHBondContact O-CA 3.43Å; D353-Q370 HydrophobicContact CB-CG 4.44Å; D353-Q370 PolarHBondContact OD2-NE2 2.04Å |
| 371 | G | 93.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.3 | -176 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | P326 C351 Y352 | P326-G371 WeakPolarHBondContact O-CA 3.18Å; P326-G371 PolarHBondContact O-N 3.49Å; C351-G371 WeakPolarHBondContact CA-O 2.99Å; Y352-G371 PolarHBondContact N-O 2.92Å; Y352-G371 PolarHBondContact O-N 3.25Å |
| 372 | C | 93.2 | Very high | 88.4 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 141.4 | 179.5 | -58 | 0 | 0 | 0 | 0 | 111.4 | G284 V285 C344 A348 H350 | G284-C372 CarbonylContact C-O 3.58Å; G284-C372 WeakPolarHBondContact CA-O 3.4Å; V285-C372 PolarHBondContact N-O 2.91Å; C344-C372 WeakPolarHBondContact CA-SG 3.11Å; C344-C372 HydrophobicContact CB-CB 3.64Å; C344-C372 WeakPolarHBondContact CB-SG 3.49Å; C344-C372 WeakPolarHBondContact SG-CB 3.34Å; C344-C372 CovalentContact SG-SG 2.04Å; C344-C372 PolarHBondContact SG-SG 2.79Å; A348-C372 HydrophobicContact CB-CB 3.86Å; H350-C372 WeakPolarHBondContact O-CA 2.99Å |
| 373 | V | 92.8 | Very high | 88.2 | Confident | 14 Ų | 14 | 42.3 Ų | 42.3 | 9% | 0.085 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 148.5 | 174.6 | -68.2 | 0 | 0 | 0 | 0 | 111.6 | A348 T349 H350 Y352 Q375 L380 | A348-V373 CarbonylContact C-O 3.59Å; A348-V373 WeakPolarHBondContact CA-O 3.03Å; T349-V373 PolarHBondContact N-O 3.13Å; H350-V373 HydrophobicContact CB-CG2 3.91Å; H350-V373 PolarHBondContact N-O 3.44Å; H350-V373 VanDerWaalsContact N-O 3.13Å; H350-V373 PolarHBondContact O-N 3.26Å; Y352-V373 HydrophobicContact CG-CG1 4.42Å; V373-Q375 WeakPolarHBondContact CG2-O 3.02Å; V373-L380 HydrophobicContact CG1-CD2 3.98Å |
| 374 | A | 89 | Confident | 88.2 | Confident | 43 Ų | 43 | 43.7 Ų | 43.7 | 36% | 0.355 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -65.7 | -47.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G347 T349 H350 | G347-A374 WeakPolarHBondContact O-CA 3.33Å; T349-A374 PolarHBondContact OG1-O 2.89Å; H350-A374 PolarHBondContact ND1-O 3.47Å |
| 375 | Q | 84.2 | Confident | 88.1 | Confident | 154 Ų | 154 | 47.3 Ų | 47.3 | 72% | 0.72 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -117.1 | 151.6 | 179.8 | -64.7 | -174.8 | 5.4 | 0 | 0 | 110.1 | V373 S377 | V373-Q375 WeakPolarHBondContact CG2-O 3.02Å; Q375-S377 PolarHBondContact O-N 2.91Å |
| 376 | P | 78 | Confident | 88.1 | Confident | 102 Ų | 102 | 54.4 Ų | 54.4 | 66% | 0.662 | 28% | 0.281 | S | S | * | . | trans | -68.2 | 87 | 172.7 | 27.3 | -28.6 | 0 | 0 | 0 | 109.1 | ||||
| 377 | S | 71.5 | Confident | 88.1 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 39% | 0.392 | 27% | 0.265 | S | S | . | . | trans | -112.5 | 141.6 | 173.7 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | Q375 F379 | Q375-S377 PolarHBondContact O-N 2.91Å; S377-F379 VanDerWaalsContact C-N 3.3Å; S377-F379 PolarHBondContact OG-N 2.85Å; S377-F379 PolarHBondContact OG-O 3.36Å | ||
| 378 | S | 71 | Confident | 88 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -88.4 | 1.3 | 168.2 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 379 | F | 85.1 | Confident | 88 | Confident | 41 Ų | 41 | 52.6 Ų | 52.6 | 18% | 0.18 | 28% | 0.278 | C | S | . | . | trans | -129.5 | 120.7 | -173.9 | -55.9 | -78.7 | 0 | 0 | 0 | 110 | S377 H383 E394 R396 | S377-F379 VanDerWaalsContact C-N 3.3Å; S377-F379 PolarHBondContact OG-N 2.85Å; S377-F379 PolarHBondContact OG-O 3.36Å; F379-H383 AromaticContact CD1-CE1 3.99Å; F379-H383 AromaticContact CD1-ND1 3.94Å; F379-H383 AromaticContact CD2-CE1 3.41Å; F379-H383 VanDerWaalsContact CD2-CE1 3.41Å; F379-H383 WeakPolarHBondContact CD2-CE1 3.25Å; F379-H383 AromaticContact CD2-NE2 3.77Å; F379-H383 AromaticContact CE1-CE1 3.85Å; F379-H383 AromaticContact CE1-ND1 3.87Å; F379-H383 AromaticContact CE2-CE1 3.25Å; F379-H383 WeakPolarHBondContact CE2-CE1 3.05Å; F379-H383 AromaticContact CE2-NE2 3.95Å; F379-H383 AromaticContact CG-CE1 3.79Å; F379-H383 AromaticContact CZ-CE1 3.49Å; F379-H383 VanDerWaalsContact CZ-CE1 3.49Å; F379-H383 WeakPolarHBondContact CZ-CE1 3.42Å; F379-H383 AromaticContact CZ-ND1 3.95Å; F379-E394 VanDerWaalsContact CA-OE2 3.29Å; F379-E394 WeakPolarHBondContact CA-OE2 3.42Å; F379-E394 VanDerWaalsContact CB-OE2 3.28Å; F379-E394 WeakPolarHBondContact CB-OE2 3.03Å; F379-E394 HydrophobicContact CD1-CB 4.22Å; F379-E394 WeakPolarHBondContact CD1-OE2 3.43Å; F379-R396 HydrophobicContact CE1-CB 4.24Å; F379-R396 HydrophobicContact CZ-CB 4.14Å | ||
| 380 | L | 91.1 | Very high | 88 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -87.8 | -24.4 | 170 | -68.9 | 175.5 | 0 | 0 | 0 | 111.6 | H279 S280 V285 V287 Y352 I356 I369 V373 E394 | H279-L380 CarbonylContact C-O 3.52Å; S280-L380 WeakPolarHBondContact CB-O 3.16Å; V285-L380 HydrophobicContact CB-CD2 4.18Å; V285-L380 HydrophobicContact CG1-CD1 3.98Å; V285-L380 HydrophobicContact CG1-CD2 4.13Å; V287-L380 HydrophobicContact CG2-CB 4.19Å; V287-L380 HydrophobicContact CG2-CD1 4.32Å; Y352-L380 HydrophobicContact CD1-CD1 3.87Å; Y352-L380 HydrophobicContact CD1-CG 4.27Å; Y352-L380 HydrophobicContact CD2-CD2 4.34Å; Y352-L380 HydrophobicContact CD2-CG 4.25Å; Y352-L380 HydrophobicContact CE1-CD1 3.42Å; Y352-L380 VanDerWaalsContact CE1-CD1 3.42Å; Y352-L380 HydrophobicContact CE1-CG 3.88Å; Y352-L380 HydrophobicContact CE2-CD1 4.35Å; Y352-L380 HydrophobicContact CE2-CD2 4.45Å; Y352-L380 HydrophobicContact CE2-CG 3.88Å; Y352-L380 HydrophobicContact CG-CD1 4.49Å; Y352-L380 HydrophobicContact CG-CD2 4.38Å; Y352-L380 HydrophobicContact CG-CG 4.43Å; I356-L380 HydrophobicContact CD1-CB 4.5Å; I369-L380 HydrophobicContact CD1-CD1 3.94Å; I369-L380 HydrophobicContact CG2-CD1 3.95Å; V373-L380 HydrophobicContact CG1-CD2 3.98Å; L380-E394 PolarHBondContact N-OE1 3.22Å; L380-E394 PolarHBondContact N-OE2 3.11Å |
| 381 | L | 90.9 | Very high | 88 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -92.9 | 2.2 | 179.8 | -60.6 | -178.2 | 0 | 0 | 0 | 113.2 | H279 V287 I356 H383 T384 I387 A392 E394 | H279-L381 HydrophobicContact CB-CD2 3.84Å; V287-L381 HydrophobicContact CG1-CD2 3.68Å; I356-L381 HydrophobicContact CD1-CD1 4.02Å; I356-L381 HydrophobicContact CD1-CD2 4.08Å; I356-L381 HydrophobicContact CD1-CG 3.86Å; I356-L381 HydrophobicContact CG1-CD1 4.4Å; I356-L381 HydrophobicContact CG2-CD1 3.91Å; L381-H383 VanDerWaalsContact C-N 3.25Å; L381-H383 PolarHBondContact O-N 2.61Å; L381-T384 WeakPolarHBondContact O-CB 3.46Å; L381-T384 PolarHBondContact O-N 2.03Å; L381-T384 PolarHBondContact O-OG1 2.04Å; L381-I387 HydrophobicContact CD1-CD1 4.08Å; L381-I387 HydrophobicContact CD2-CD1 3.92Å; L381-A392 HydrophobicContact CD1-CB 3.52Å; L381-E394 HydrophobicContact CB-CG 4.48Å; L381-E394 WeakPolarHBondContact CB-OE2 3.24Å; L381-E394 HydrophobicContact CD1-CG 4.24Å; L381-E394 HydrophobicContact CG-CG 4.37Å; L381-E394 PolarHBondContact N-OE1 2.88Å; L381-E394 PolarHBondContact N-OE2 3.28Å; L381-E394 VanDerWaalsContact N-OE2 3.11Å |
| 382 | N | 84.3 | Confident | 88.1 | Confident | 118 Ų | 118 | 54 Ų | 54 | 63% | 0.631 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 48.6 | -176.7 | -169.4 | 24.5 | 0 | 0 | 0 | 112.1 | T384 | N382-T384 PolarHBondContact O-N 3.4Å; N382-T384 VanDerWaalsContact O-N 3.16Å |
| 383 | H | 83.3 | Confident | 88 | Confident | 107 Ų | 107 | 61 Ų | 61 | 50% | 0.495 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 11.1 | -176.9 | -48.8 | -77.8 | 0 | 0 | 0 | 115.9 | F379 L381 R385 | F379-H383 AromaticContact CD1-CE1 3.99Å; F379-H383 AromaticContact CD1-ND1 3.94Å; F379-H383 AromaticContact CD2-CE1 3.41Å; F379-H383 VanDerWaalsContact CD2-CE1 3.41Å; F379-H383 WeakPolarHBondContact CD2-CE1 3.25Å; F379-H383 AromaticContact CD2-NE2 3.77Å; F379-H383 AromaticContact CE1-CE1 3.85Å; F379-H383 AromaticContact CE1-ND1 3.87Å; F379-H383 AromaticContact CE2-CE1 3.25Å; F379-H383 WeakPolarHBondContact CE2-CE1 3.05Å; F379-H383 AromaticContact CE2-NE2 3.95Å; F379-H383 AromaticContact CG-CE1 3.79Å; F379-H383 AromaticContact CZ-CE1 3.49Å; F379-H383 VanDerWaalsContact CZ-CE1 3.49Å; F379-H383 WeakPolarHBondContact CZ-CE1 3.42Å; F379-H383 AromaticContact CZ-ND1 3.95Å; L381-H383 VanDerWaalsContact C-N 3.25Å; L381-H383 PolarHBondContact O-N 2.61Å; H383-R385 PolarHBondContact O-N 2.77Å; H383-R385 VanDerWaalsContact O-N 3.12Å |
| 384 | T | 90.1 | Very high | 87.9 | Confident | 50 Ų | 50 | 60.5 Ų | 60.5 | 31% | 0.307 | 31% | 0.312 | S | S | . | . | trans | -67.4 | 110.9 | 172.5 | -56.4 | 0 | 0 | 0 | 0 | 109.6 | L381 N382 Q386 I387 | L381-T384 WeakPolarHBondContact O-CB 3.46Å; L381-T384 PolarHBondContact O-N 2.03Å; L381-T384 PolarHBondContact O-OG1 2.04Å; N382-T384 PolarHBondContact O-N 3.4Å; N382-T384 VanDerWaalsContact O-N 3.16Å; T384-Q386 VanDerWaalsContact CG2-O 3.27Å; T384-Q386 WeakPolarHBondContact CG2-O 3.24Å; T384-I387 HydrophobicContact CG2-CG1 4.06Å | ||
| 385 | R | 91.5 | Very high | 87.4 | Confident | 155 Ų | 155 | 63 Ų | 63 | 59% | 0.585 | 32% | 0.315 | S | S | * | . | trans | -93.8 | -10.7 | -179.9 | -68.5 | -177.2 | 173.1 | -175.1 | -2.1 | 114 | H383 S391 A392 D397 | H383-R385 PolarHBondContact O-N 2.77Å; H383-R385 VanDerWaalsContact O-N 3.12Å; R385-S391 CarbonylContact O-C 3.49Å; R385-S391 WeakPolarHBondContact O-CA 3.41Å; R385-A392 WeakPolarHBondContact CA-O 3.31Å; R385-A392 PolarHBondContact O-N 2.97Å; R385-D397 IonicContact CZ-OD1 2.7Å; R385-D397 IonicContact NE-OD1 3.94Å; R385-D397 IonicContact NH2-OD1 3.06Å; R385-D397 PolarHBondContact NH2-OD1 3.39Å | ||
| 386 | Q | 92.8 | Very high | 86.5 | Confident | 151 Ų | 151 | 64.4 Ų | 64.4 | 71% | 0.706 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 122.6 | -177.8 | -170.5 | 172.4 | 0.5 | 0 | 0 | 110.5 | T384 F390 | T384-Q386 VanDerWaalsContact CG2-O 3.27Å; T384-Q386 WeakPolarHBondContact CG2-O 3.24Å; Q386-F390 WeakPolarHBondContact CA-O 3.49Å |
| 387 | I | 93.6 | Very high | 85.4 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 97.6 | 177.4 | -56.4 | 175.8 | 0 | 0 | 0 | 107.1 | T247 L249 S289 T291 L381 T384 I389 F390 A392 | T247-I387 HydrophobicContact CG2-CG2 4.46Å; L249-I387 HydrophobicContact CD1-CD1 3.93Å; L249-I387 HydrophobicContact CD1-CG2 4.38Å; S289-I387 WeakPolarHBondContact OG-CG2 3.28Å; T291-I387 HydrophobicContact CG2-CG2 4.49Å; L381-I387 HydrophobicContact CD1-CD1 4.08Å; L381-I387 HydrophobicContact CD2-CD1 3.92Å; T384-I387 HydrophobicContact CG2-CG1 4.06Å; I387-I389 PolarHBondContact O-N 2.85Å; I387-I389 VanDerWaalsContact O-N 3.16Å; I387-F390 PolarHBondContact N-O 3.44Å; I387-F390 WeakPolarHBondContact O-CB 3.39Å; I387-F390 PolarHBondContact O-N 3.04Å; I387-A392 HydrophobicContact CD1-CB 4.28Å |
| 388 | G | 92.2 | Very high | 84.5 | Confident | 14 Ų | 14 | 63 Ų | 63 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | -121.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | T291 F390 | T291-G388 VanDerWaalsContact CG2-CA 3.45Å; G388-F390 VanDerWaalsContact C-N 3.35Å |
| 389 | I | 92.7 | Very high | 82.8 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 20% | 0.195 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -13.8 | 177 | -159.3 | 64.4 | 0 | 0 | 0 | 113.6 | Q245 T247 T262 I387 | Q245-I389 HydrophobicContact CG-CB 4.25Å; Q245-I389 HydrophobicContact CG-CD1 4.42Å; Q245-I389 HydrophobicContact CG-CG1 4.33Å; T247-I389 PolarHBondContact OG1-N 3.01Å; T262-I389 HydrophobicContact CG2-CG2 3.36Å; I387-I389 PolarHBondContact O-N 2.85Å; I387-I389 VanDerWaalsContact O-N 3.16Å |
| 390 | F | 94.1 | Very high | 80.5 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.9 | -178.2 | -62 | -53.9 | 0 | 0 | 0 | 111.5 | T247 V260 T262 L358 G360 L363 Q386 I387 G388 | T247-F390 HydrophobicContact CG2-CD2 3.63Å; T247-F390 HydrophobicContact CG2-CE2 3.67Å; V260-F390 HydrophobicContact CG1-CE2 4.33Å; V260-F390 HydrophobicContact CG1-CZ 3.95Å; T262-F390 HydrophobicContact CG2-CE1 3.7Å; T262-F390 HydrophobicContact CG2-CE2 3.84Å; T262-F390 HydrophobicContact CG2-CZ 3.28Å; L358-F390 HydrophobicContact CD2-CB 4.28Å; G360-F390 WeakPolarHBondContact O-CE1 3.42Å; L363-F390 HydrophobicContact CB-CE1 4.12Å; L363-F390 HydrophobicContact CD2-CE1 4.03Å; L363-F390 HydrophobicContact CD2-CZ 4.15Å; Q386-F390 WeakPolarHBondContact CA-O 3.49Å; I387-F390 PolarHBondContact N-O 3.44Å; I387-F390 WeakPolarHBondContact O-CB 3.39Å; I387-F390 PolarHBondContact O-N 3.04Å; G388-F390 VanDerWaalsContact C-N 3.35Å |
| 391 | S | 94.2 | Very high | 77.9 | Confident | 43 Ų | 43 | 77.7 Ų | 77.7 | 30% | 0.301 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 123.8 | 153.5 | 162.8 | 0 | 0 | 0 | 0 | 108.4 | L358 S359 R385 | L358-S391 WeakPolarHBondContact CA-O 3.36Å; S359-S391 PolarHBondContact N-O 3Å; S359-S391 PolarHBondContact O-N 3.09Å; R385-S391 CarbonylContact O-C 3.49Å; R385-S391 WeakPolarHBondContact O-CA 3.41Å |
| 392 | A | 94 | Very high | 75.2 | Confident | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.008 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I356 H357 L358 L381 R385 I387 | I356-A392 HydrophobicContact CG2-CB 4.43Å; H357-A392 CarbonylContact O-C 3.6Å; H357-A392 WeakPolarHBondContact O-CA 3.37Å; L358-A392 HydrophobicContact CD2-CB 3.78Å; L381-A392 HydrophobicContact CD1-CB 3.52Å; R385-A392 WeakPolarHBondContact CA-O 3.31Å; R385-A392 PolarHBondContact O-N 2.97Å; I387-A392 HydrophobicContact CD1-CB 4.28Å |
| 393 | R | 92.1 | Very high | 72.8 | Confident | 149 Ų | 149 | 81.3 Ų | 81.3 | 56% | 0.562 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 134.2 | 175.7 | -62.5 | -175.7 | -175.8 | -171 | 0.7 | 110.5 | H357 D397 | H357-R393 HydrophobicContact CB-CB 4.47Å; H357-R393 PolarHBondContact N-O 2.82Å; H357-R393 PolarHBondContact O-N 3.15Å; R393-D397 HydrophobicContact CB-CB 4.44Å |
| 394 | E | 90.3 | Very high | 70.4 | Confident | 3 Ų | 3 | 85.1 Ų | 85.1 | 1% | 0.014 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 164.4 | 178.5 | -58.7 | -165.4 | 92 | 0 | 0 | 111.6 | Y355 I356 F379 L380 L381 R396 D397 | Y355-E394 WeakPolarHBondContact O-CA 3.5Å; I356-E394 HydrophobicContact CG1-CG 4.23Å; F379-E394 VanDerWaalsContact CA-OE2 3.29Å; F379-E394 WeakPolarHBondContact CA-OE2 3.42Å; F379-E394 VanDerWaalsContact CB-OE2 3.28Å; F379-E394 WeakPolarHBondContact CB-OE2 3.03Å; F379-E394 HydrophobicContact CD1-CB 4.22Å; F379-E394 WeakPolarHBondContact CD1-OE2 3.43Å; L380-E394 PolarHBondContact N-OE1 3.22Å; L380-E394 PolarHBondContact N-OE2 3.11Å; L381-E394 HydrophobicContact CB-CG 4.48Å; L381-E394 WeakPolarHBondContact CB-OE2 3.24Å; L381-E394 HydrophobicContact CD1-CG 4.24Å; L381-E394 HydrophobicContact CG-CG 4.37Å; L381-E394 PolarHBondContact N-OE1 2.88Å; L381-E394 PolarHBondContact N-OE2 3.28Å; L381-E394 VanDerWaalsContact N-OE2 3.11Å; E394-R396 PolarHBondContact O-N 3.27Å; E394-D397 PolarHBondContact N-OD2 3.46Å; E394-D397 VanDerWaalsContact N-OD2 3.15Å; E394-D397 PolarHBondContact O-N 3.16Å |
| 395 | K | 78.9 | Confident | 67.8 | Low | 95 Ų | 95 | 91.6 Ų | 91.6 | 41% | 0.413 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.5 | -29.8 | -173.2 | 179.2 | 169.1 | 175.4 | -177 | 0 | 116.3 | D353 Y355 | D353-K395 PolarHBondContact O-NZ 2.79Å; D353-K395 VanDerWaalsContact O-NZ 3.09Å; D353-K395 IonicContact OD1-NZ 2.75Å; D353-K395 PolarHBondContact OD1-NZ 2.9Å; Y355-K395 HydrophobicContact CD1-CB 3.79Å; Y355-K395 HydrophobicContact CD1-CD 4.15Å; Y355-K395 HydrophobicContact CD1-CG 3.99Å; Y355-K395 HydrophobicContact CE1-CB 3.6Å; Y355-K395 HydrophobicContact CE1-CD 4.21Å; Y355-K395 HydrophobicContact CE1-CG 3.61Å; Y355-K395 HydrophobicContact CG-CB 4.41Å; Y355-K395 PolarHBondContact O-N 3.26Å |
| 396 | R | 65.2 | Low | 64.9 | Low | 185 Ų | 185 | 93.4 Ų | 93.4 | 70% | 0.698 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -2.6 | -179.7 | -68.6 | -163.6 | -172.2 | -173.3 | 5.5 | 115.4 | F379 E394 V398 | F379-R396 HydrophobicContact CE1-CB 4.24Å; F379-R396 HydrophobicContact CZ-CB 4.14Å; E394-R396 PolarHBondContact O-N 3.27Å; R396-V398 PolarHBondContact O-N 3.03Å |
| 397 | D | 55.6 | Low | 61.9 | Low | 43 Ų | 43 | 90.1 Ų | 90.1 | 23% | 0.23 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -74.6 | -8.9 | 170.6 | -73.9 | -49.7 | 0 | 0 | 0 | 112.4 | R385 R393 E394 Q399 | R385-D397 IonicContact CZ-OD1 2.7Å; R385-D397 IonicContact NE-OD1 3.94Å; R385-D397 IonicContact NH2-OD1 3.06Å; R385-D397 PolarHBondContact NH2-OD1 3.39Å; R393-D397 HydrophobicContact CB-CB 4.44Å; E394-D397 PolarHBondContact N-OD2 3.46Å; E394-D397 VanDerWaalsContact N-OD2 3.15Å; E394-D397 PolarHBondContact O-N 3.16Å; D397-Q399 PolarHBondContact O-N 3.35Å |
| 398 | V | 51.4 | Low | 58.7 | Low | 86 Ų | 86 | 93.7 Ų | 93.7 | 52% | 0.521 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -80.5 | 101 | 171.6 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | Y355 R396 | Y355-V398 WeakPolarHBondContact OH-CG2 3.13Å; R396-V398 PolarHBondContact O-N 3.03Å |
| 399 | Q | 36.5 | Very low | 55.5 | Low | 170 Ų | 170 | 97 Ų | 97 | 79% | 0.794 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 126.4 | 166.2 | -164.4 | 81.8 | 2.3 | 0 | 0 | 107.7 | D397 | D397-Q399 PolarHBondContact O-N 3.35Š|
| 400 | P | 36.8 | Very low | 52.3 | Low | 96 Ų | 96 | 99.6 Ų | 99.6 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 139 | 169.7 | 16 | -19.8 | 0 | 0 | 0 | 108.2 | A402 | P400-A402 PolarHBondContact O-N 2.82Š|
| 401 | P | 35.4 | Very low | 49.1 | Very low | 122 Ų | 122 | 109.2 Ų | 109.2 | 79% | 0.792 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -53 | 133.2 | 168.4 | 22.3 | -29.8 | 0 | 0 | 0 | 107.4 | S403 | P401-S403 PolarHBondContact O-N 3.46Š|
| 402 | A | 34.6 | Very low | 45.9 | Very low | 94 Ų | 94 | 111 Ų | 111 | 78% | 0.777 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 119.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | P400 Q404 | P400-A402 PolarHBondContact O-N 2.82Å; A402-Q404 PolarHBondContact O-N 2.77Å |
| 403 | S | 33.3 | Very low | 42.8 | Very low | 100 Ų | 100 | 118.9 Ų | 118.9 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | trans | -56 | 113.8 | 179.7 | 48.7 | 0 | 0 | 0 | 0 | 108.4 | P401 H405 | P401-S403 PolarHBondContact O-N 3.46Å; S403-H405 PolarHBondContact O-N 3.31Å; S403-H405 VanDerWaalsContact O-N 3.15Å | ||
| 404 | Q | 33.7 | Very low | 39.9 | Very low | 187 Ų | 187 | 120.4 Ų | 120.4 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | trans | -63 | 114.6 | 161.1 | -73.5 | -173.8 | -11.9 | 0 | 0 | 106.4 | A402 E406 | A402-Q404 PolarHBondContact O-N 2.77Å; Q404-E406 PolarHBondContact O-N 2.74Å; Q404-E406 VanDerWaalsContact O-N 3.1Å | ||
| 405 | H | 34.3 | Very low | 37 | Very low | 186 Ų | 186 | 125.3 Ų | 125.3 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | -60.6 | 107.1 | 167.2 | -90.9 | -60 | 0 | 0 | 0 | 108.5 | S403 | S403-H405 PolarHBondContact O-N 3.31Å; S403-H405 VanDerWaalsContact O-N 3.15Å | ||
| 406 | E | 30.4 | Very low | 34.9 | Very low | 193 Ų | 193 | 128.7 Ų | 128.7 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | trans | -91 | 121.9 | 154 | -88.2 | -174.1 | 131.3 | 0 | 0 | 108.4 | Q404 | Q404-E406 PolarHBondContact O-N 2.74Å; Q404-E406 VanDerWaalsContact O-N 3.1Å | ||
| 407 | G | 29.9 | Very low | 33.4 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -86.2 | 165.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 408 | G | 26.1 | Very low | 32.3 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | 125.8 | 86.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 409 | G | 25.8 | Very low | 31.2 | Very low | 84 Ų | 84 | 136 Ų | 136 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | 96.9 | 133.9 | 89 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 410 | A | 26.8 | Very low | 31.2 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | cis | -160.5 | 160 | 11.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 411 | E | 26.6 | Very low | 31 | Very low | 203 Ų | 203 | 132.6 Ų | 132.6 | 95% | 0.949 | 83% | 0.83 | S | S | * | * | trans | 68.8 | 122.5 | 153.4 | -67.9 | -177.4 | 169.2 | 0 | 0 | 122 | ||||
| 412 | G | 25.8 | Very low | 31.1 | Very low | 80 Ų | 80 | 133.5 Ų | 133.5 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | 165.3 | 59.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 413 | L | 29.4 | Very low | 31.1 | Very low | 167 Ų | 167 | 134 Ų | 134 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | trans | -62.1 | 126.3 | 177 | -173.8 | 84.2 | 0 | 0 | 0 | 110.6 | ||||
| 414 | E | 30.1 | Very low | 31.3 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 84% | 0.841 | 84% | 0.838 | S | S | * | * | trans | -158.5 | 123.9 | 139.3 | -82.8 | -145 | 153.1 | 0 | 0 | 112.8 | ||||
| 415 | S | 30.3 | Very low | 31.5 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 83% | 0.833 | S | S | * | * | trans | 64.1 | 92.7 | 147.6 | 53.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 416 | L | 34.1 | Very low | 32 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | trans | -72.6 | 130.9 | 149.7 | -83 | 148.8 | 0 | 0 | 0 | 110.7 | ||||
| 417 | T | 33.9 | Very low | 32.4 | Very low | 144 Ų | 144 | 124.9 Ų | 124.9 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -131.7 | 138.2 | 147.1 | 46.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 418 | W | 32 | Very low | 32.7 | Very low | 246 Ų | 246 | 128.5 Ų | 128.5 | 93% | 0.932 | 83% | 0.825 | S | S | * | * | trans | -71.6 | 155.3 | -166.1 | -91.9 | 9.4 | 0 | 0 | 0 | 116 | ||||
| 419 | G | 30.2 | Very low | 33.1 | Very low | 77 Ų | 77 | 136.2 Ų | 136.2 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | -167.2 | 66 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 420 | V | 36.7 | Very low | 33.4 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 70% | 0.703 | 83% | 0.831 | S | S | * | * | trans | -80.3 | 115 | 172 | 173.7 | 0 | 0 | 0 | 0 | 109 | L422 | V420-L422 HydrophobicContact CG1-CD1 4.04Å; V420-L422 HydrophobicContact CG1-CG 4.5Å | ||
| 421 | G | 32.2 | Very low | 33.8 | Very low | 79 Ų | 79 | 142.5 Ų | 142.5 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | trans | -116.9 | 92.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 422 | L | 37.1 | Very low | 34.3 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 74% | 0.738 | 83% | 0.825 | S | S | * | * | trans | -78.6 | 129.3 | 170.1 | -103.4 | 143.8 | 0 | 0 | 0 | 109.6 | V420 L424 | V420-L422 HydrophobicContact CG1-CD1 4.04Å; V420-L422 HydrophobicContact CG1-CG 4.5Å; L422-L424 HydrophobicContact CD2-CD1 4.43Å; L422-L424 HydrophobicContact CD2-CG 4.27Å | ||
| 423 | A | 34.8 | Very low | 34.9 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -130.2 | 102.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 424 | L | 37.7 | Very low | 35.2 | Very low | 159 Ų | 159 | 139 Ų | 139 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -88.8 | 136.9 | 164.6 | -76.6 | 161.8 | 0 | 0 | 0 | 108.8 | L422 | L422-L424 HydrophobicContact CD2-CD1 4.43Å; L422-L424 HydrophobicContact CD2-CG 4.27Å | ||
| 425 | A | 36.9 | Very low | 36.3 | Very low | 94 Ų | 94 | 136 Ų | 136 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | trans | -169.2 | 163.8 | 144.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 426 | P | 44.5 | Very low | 36.8 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | -125.8 | 173.2 | -105.9 | 23 | 0.8 | 0 | 0 | 0 | 114 | |||||
| 427 | A | 40 | Very low | 37.1 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 79% | 0.793 | 84% | 0.84 | S | S | * | * | trans | -67.6 | 141.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 428 | L | 36.1 | Very low | 37.2 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 83% | 0.827 | 84% | 0.838 | S | S | * | * | trans | -128.8 | 104.8 | 161.1 | -100.3 | 158.2 | 0 | 0 | 0 | 108.6 | ||||
| 429 | W | 34.6 | Very low | 37.5 | Very low | 242 Ų | 242 | 132.5 Ų | 132.5 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | trans | -61.1 | 134.8 | 160.4 | -87.9 | -15 | 0 | 0 | 0 | 111 | ||||
| 430 | W | 32.1 | Very low | 37.9 | Very low | 238 Ų | 238 | 135.6 Ų | 135.6 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -142.6 | 115.4 | 138.5 | -80.3 | 74.1 | 0 | 0 | 0 | 108.1 | ||||
| 431 | G | 34.6 | Very low | 38 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 73% | 0.732 | 84% | 0.843 | S | S | * | * | trans | -91.6 | 147 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 432 | V | 36.4 | Very low | 38.3 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 86% | 0.861 | 85% | 0.845 | S | S | * | * | trans | -145.4 | 139.6 | 151 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 433 | V | 38.4 | Very low | 38.4 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 74% | 0.739 | 85% | 0.852 | S | S | * | * | trans | -102 | 146.4 | -171 | 163.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 434 | C | 36.1 | Very low | 38.7 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 76% | 0.757 | 85% | 0.852 | S | S | * | * | trans | 76 | 163.7 | 152 | -85 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 435 | P | 54.3 | Low | 38.8 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 76% | 0.76 | 85% | 0.853 | S | S | * | * | cis | -135.1 | 177.1 | -11.2 | 27.6 | -4 | 0 | 0 | 0 | 115.9 | ||||
| 436 | S | 40 | Very low | 38.9 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 79% | 0.79 | 86% | 0.86 | S | S | * | * | trans | -58 | 150.1 | 173.5 | -32.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 437 | C | 40.1 | Very low | 38.4 | Very low | 210 Ų | 210 | 147.4 Ų | 147.4 | 100% | 1.419 | 86% | 0.863 | S | S | * | * | trans | -138.1 | 0 | 136.1 | -81.2 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 437 of 437 residues in 332.9 ms
(Link to these results)