| 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 | 35.2 | Very low | 43.3 | Very low | 248 Ų | 248 | 145.9 Ų | 145.9 | 100% | 1.222 | 81% | 0.813 | S | S | * | * | 0 | 135.6 | 0 | -68.2 | 173.4 | -161.7 | 0 | 0 | 107.3 | |||||
| 2 | A | 37.3 | Very low | 43.7 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -66.2 | -166.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3 | P | 51.1 | Low | 43.4 | Very low | 97 Ų | 97 | 144.5 Ų | 144.5 | 63% | 0.63 | 81% | 0.813 | S | S | * | * | cis | -144.5 | -179.6 | -26.7 | 24.3 | -0.4 | 0 | 0 | 0 | 114.3 | ||||
| 4 | K | 41.6 | Very low | 43.5 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 67.1 | 153 | 138.9 | -78.8 | 165.2 | -175.2 | -174.9 | 0 | 118.6 | ||||
| 5 | L | 41.5 | Very low | 43.7 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | cis | -170.1 | 133.5 | 17.5 | -118.7 | 149.3 | 0 | 0 | 0 | 108.2 | ||||
| 6 | I | 45.2 | Very low | 43.6 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 69% | 0.687 | 81% | 0.814 | S | S | * | * | trans | 44.8 | 126 | 136.4 | -63.2 | 176.2 | 0 | 0 | 0 | 120.8 | ||||
| 7 | T | 38.8 | Very low | 43.1 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | -168.4 | 114.4 | 113.3 | 20.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 8 | V | 50.1 | Low | 43 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 71% | 0.709 | 82% | 0.818 | S | S | * | * | trans | 57.5 | 104 | 132.8 | -171.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 9 | L | 40.6 | Very low | 42.7 | Very low | 179 Ų | 179 | 149 Ų | 149 | 94% | 0.937 | 82% | 0.815 | S | S | * | * | trans | -148.3 | 64.9 | 143.1 | -107.1 | 140.7 | 0 | 0 | 0 | 108.9 | ||||
| 10 | C | 47.4 | Very low | 42 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -88.1 | 110.5 | 156.3 | -77.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 11 | L | 47.1 | Very low | 41.6 | Very low | 180 Ų | 180 | 145.3 Ų | 145.3 | 94% | 0.942 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 160.8 | 102.3 | 149.4 | -87.1 | 159.5 | 0 | 0 | 0 | 107.3 | ||
| 12 | G | 48.4 | Very low | 41.5 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 138.8 | 32.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 13 | F | 39.9 | Very low | 41.3 | Very low | 199 Ų | 199 | 142.9 Ų | 142.9 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | trans | -140.1 | 58.3 | 163.5 | -130.2 | -90.1 | 0 | 0 | 0 | 112.1 | ||||
| 14 | C | 45.2 | Very low | 40.5 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -103.2 | 82.8 | 163.2 | -66.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 15 | L | 46.7 | Very low | 40.4 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -162.5 | 125.3 | 160.3 | -98 | 162.3 | 0 | 0 | 0 | 108.4 | ||
| 16 | N | 41.3 | Very low | 40.8 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | 79.5 | 57.6 | 172.5 | -70.6 | -15.8 | 0 | 0 | 0 | 119.8 | ||||
| 17 | Q | 35.1 | Very low | 41.2 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -114.8 | 101.5 | 136.3 | -71.7 | -170.3 | 22.6 | 0 | 0 | 109.1 | I19 | Q17-I19 PolarHBondContact O-N 3.13Š| ||
| 18 | K | 41.7 | Very low | 42.3 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | -56.3 | 95.9 | 158.6 | -86 | 176.3 | 173.5 | 174.2 | 0 | 106.9 | C20 | K18-C20 VanDerWaalsContact C-N 3.34Å; K18-C20 PolarHBondContact O-N 3.31Å | ||
| 19 | I | 36.3 | Very low | 43.8 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | -64.4 | 104.2 | 157.2 | -62.3 | 165.1 | 0 | 0 | 0 | 104.1 | Q17 P21 | Q17-I19 PolarHBondContact O-N 3.13Å; I19-P21 WeakPolarHBondContact O-CD 3.44Å | ||
| 20 | C | 29.8 | Very low | 46.2 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | trans | -63.1 | 109.9 | 159.3 | -73.3 | 0 | 0 | 0 | 0 | 105.6 | K18 H22 | K18-C20 VanDerWaalsContact C-N 3.34Å; K18-C20 PolarHBondContact O-N 3.31Å; C20-H22 PolarHBondContact O-N 3.43Å; C20-H22 VanDerWaalsContact O-N 3.09Å | ||
| 21 | P | 33.7 | Very low | 48.4 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | trans | -61.6 | 122.4 | 163.9 | 28.2 | -29.5 | 0 | 0 | 0 | 105.3 | I19 A23 | I19-P21 WeakPolarHBondContact O-CD 3.44Å; P21-A23 PolarHBondContact O-N 3.25Å; P21-A23 VanDerWaalsContact O-N 3.11Å | ||
| 22 | H | 33.3 | Very low | 50.6 | Low | 189 Ų | 189 | 116.7 Ų | 116.7 | 88% | 0.875 | 67% | 0.666 | S | S | * | * | trans | -38.5 | 120.6 | 172.5 | -135.7 | 57.6 | 0 | 0 | 0 | 109 | C20 G24 | C20-H22 PolarHBondContact O-N 3.43Å; C20-H22 VanDerWaalsContact O-N 3.09Å; H22-G24 PolarHBondContact O-N 3.1Å | ||
| 23 | A | 31.9 | Very low | 52.8 | Low | 100 Ų | 100 | 114.1 Ų | 114.1 | 83% | 0.826 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -49.7 | 128.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P21 | P21-A23 PolarHBondContact O-N 3.25Å; P21-A23 VanDerWaalsContact O-N 3.11Å |
| 24 | G | 34.3 | Very low | 55.4 | Low | 61 Ų | 61 | 112.9 Ų | 112.9 | 63% | 0.629 | 63% | 0.627 | S | S | * | * | trans | -49.8 | 135 | -157.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | H22 Q26 | H22-G24 PolarHBondContact O-N 3.1Å; G24-Q26 PolarHBondContact O-N 3.3Å | ||
| 25 | A | 39.8 | Very low | 57.7 | Low | 105 Ų | 105 | 111.2 Ų | 111.2 | 87% | 0.868 | 61% | 0.614 | S | S | * | * | trans | -55.8 | 86.9 | 136.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | D27 | A25-D27 PolarHBondContact O-N 2.96Š| ||
| 26 | Q | 50.7 | Low | 59.8 | Low | 148 Ų | 148 | 105.3 Ų | 105.3 | 69% | 0.692 | 59% | 0.586 | S | S | * | * | trans | -58.7 | 125.5 | 172.6 | -86.8 | -161.6 | -9.3 | 0 | 0 | 107.5 | G24 K28 | G24-Q26 PolarHBondContact O-N 3.3Å; Q26-K28 PolarHBondContact O-N 2.73Å | ||
| 27 | D | 54.2 | Low | 62.2 | Low | 103 Ų | 103 | 100 Ų | 100 | 55% | 0.551 | 56% | 0.559 | S | S | * | * | trans | -49.3 | 101.8 | 174.5 | -74.7 | -54.2 | 0 | 0 | 0 | 110.4 | A25 F29 L53 | A25-D27 PolarHBondContact O-N 2.96Å; D27-F29 PolarHBondContact O-N 3.16Å; D27-F29 VanDerWaalsContact O-N 3.13Å; D27-L53 HydrophobicContact CB-CD1 3.42Å; D27-L53 VanDerWaalsContact CB-CD1 3.42Å; D27-L53 HydrophobicContact CB-CG 4.12Å | ||
| 28 | K | 60.7 | Low | 64.9 | Low | 193 Ų | 193 | 92.8 Ų | 92.8 | 84% | 0.839 | 53% | 0.528 | S | S | * | . | trans | -74 | 103.7 | -175.5 | -176.9 | -178.4 | 179.8 | -178.7 | 0 | 108.5 | Q26 | Q26-K28 PolarHBondContact O-N 2.73Š| ||
| 29 | F | 82.5 | Confident | 67.4 | Low | 12 Ų | 12 | 83.8 Ų | 83.8 | 5% | 0.053 | 49% | 0.489 | C | S | . | . | trans | -103.8 | 154.3 | 170.6 | 75.7 | -85.9 | 0 | 0 | 0 | 109.6 | D27 H50 W58 C94 S105 A106 E107 S108 | D27-F29 PolarHBondContact O-N 3.16Å; D27-F29 VanDerWaalsContact O-N 3.13Å; F29-H50 CarbonylContact C-O 3.58Å; F29-H50 WeakPolarHBondContact CA-O 3.27Å; F29-H50 VanDerWaalsContact CB-O 3.24Å; F29-H50 WeakPolarHBondContact CB-O 3.34Å; F29-W58 HydrophobicContact CD2-CZ3 4.46Å; F29-C94 VanDerWaalsContact CE2-O 3.29Å; F29-C94 WeakPolarHBondContact CE2-O 3.23Å; F29-C94 WeakPolarHBondContact CZ-O 3.18Å; F29-S105 WeakPolarHBondContact CZ-OG 3.22Å; F29-A106 WeakPolarHBondContact CE1-O 3.45Å; F29-A106 WeakPolarHBondContact CZ-O 3.33Å; F29-E107 VanDerWaalsContact CZ-C 3.49Å; F29-S108 VanDerWaalsContact CZ-N 3.27Å | ||
| 30 | S | 90.3 | Very high | 70.2 | Confident | 47 Ų | 47 | 80.4 Ų | 80.4 | 33% | 0.329 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 154.8 | -166.9 | 63.3 | 0 | 0 | 0 | 0 | 113.5 | C49 H50 N109 | S30-C49 CarbonylContact O-C 3.58Å; S30-C49 WeakPolarHBondContact O-CA 3.48Å; S30-H50 PolarHBondContact N-O 3.11Å; S30-H50 PolarHBondContact O-N 2.71Å; S30-N109 WeakPolarHBondContact CA-OD1 3.2Å; S30-N109 VanDerWaalsContact CB-OD1 3.32Å; S30-N109 WeakPolarHBondContact CB-OD1 2.96Å |
| 31 | L | 93.4 | Very high | 73.4 | Confident | 5 Ų | 5 | 79.3 Ų | 79.3 | 3% | 0.026 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.1 | 173.9 | 176.2 | 62.9 | 0 | 0 | 0 | 108.9 | L47 I60 N109 L111 | L31-L47 HydrophobicContact CD1-CB 4.23Å; L31-I60 HydrophobicContact CD1-CD1 4.48Å; L31-N109 PolarHBondContact N-OD1 2.93Å; L31-N109 PolarHBondContact O-ND2 2.75Å; L31-L111 HydrophobicContact CD2-CB 3.89Å; L31-L111 HydrophobicContact CD2-CD2 4.25Å; L31-L111 HydrophobicContact CG-CB 4.03Å; L31-L111 HydrophobicContact CG-CD2 3.8Å |
| 32 | S | 94.2 | Very high | 76.4 | Confident | 41 Ų | 41 | 76.3 Ų | 76.3 | 29% | 0.287 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 156 | 179.3 | 68.1 | 0 | 0 | 0 | 0 | 112.1 | L47 S48 H50 L111 | S32-L47 WeakPolarHBondContact O-CA 3.41Å; S32-S48 PolarHBondContact N-O 3.22Å; S32-S48 PolarHBondContact O-N 3.45Å; S32-S48 PolarHBondContact OG-O 2.83Å; S32-H50 PolarHBondContact OG-CD2 2.89Å; S32-H50 PolarHBondContact OG-NE2 2.79Å; S32-L111 VanDerWaalsContact C-CD2 3.46Å |
| 33 | A | 94.5 | Very high | 79.4 | Confident | 19 Ų | 19 | 68.2 Ų | 68.2 | 16% | 0.157 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 140.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | P37 V45 T46 L47 L111 I113 | A33-P37 HydrophobicContact CB-CB 4.12Å; A33-V45 HydrophobicContact CB-CG2 3.75Å; A33-T46 CarbonylContact C-O 3.6Å; A33-T46 WeakPolarHBondContact CA-O 3.4Å; A33-L47 HydrophobicContact CB-CD2 3.92Å; A33-L111 HydrophobicContact CB-CD2 3.87Å; A33-I113 HydrophobicContact CB-CD1 3.83Å |
| 34 | W | 94.6 | Very high | 82.5 | Confident | 174 Ų | 174 | 70.7 Ų | 70.7 | 66% | 0.659 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.3 | 172.4 | -179.5 | 89.8 | 0 | 0 | 0 | 110.2 | V45 T46 | W34-V45 CarbonylContact O-C 3.56Å; W34-V45 WeakPolarHBondContact O-CA 3.42Å; W34-T46 PolarHBondContact N-O 3.08Å; W34-T46 PolarHBondContact O-N 3.38Å |
| 35 | P | 92.3 | Very high | 85.4 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 59% | 0.591 | 38% | 0.378 | S | S | * | . | S | Bend | cis | -77 | -21 | 0.4 | 31.2 | -35.8 | 0 | 0 | 0 | 113.9 | ||
| 36 | S | 90.8 | Very high | 88.1 | Confident | 27 Ų | 27 | 63.9 Ų | 63.9 | 19% | 0.189 | 34% | 0.343 | C | S | . | . | trans | -154 | 148.8 | -177.1 | 169 | 0 | 0 | 0 | 0 | 110.3 | V38 V39 I159 | S36-V38 PolarHBondContact OG-N 3.4Å; S36-V38 PolarHBondContact OG-O 2.91Å; S36-V38 VanDerWaalsContact OG-O 3.05Å; S36-V39 WeakPolarHBondContact O-CG2 3.34Å; S36-I159 WeakPolarHBondContact OG-CD1 3.35Å | ||
| 37 | P | 91.7 | Very high | 90.3 | Very high | 38 Ų | 38 | 56.8 Ų | 56.8 | 25% | 0.247 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -73.3 | -14.6 | 169.8 | 30.4 | -34.8 | 0 | 0 | 0 | 113.7 | A33 L111 K112 I113 I114 | A33-P37 HydrophobicContact CB-CB 4.12Å; P37-L111 HydrophobicContact CB-CD1 4.28Å; P37-K112 WeakPolarHBondContact CB-O 2.9Å; P37-I113 HydrophobicContact CB-CD1 4.14Å; P37-I113 WeakPolarHBondContact O-CA 3.22Å; P37-I114 PolarHBondContact O-N 3.48Å |
| 38 | V | 92.7 | Very high | 92.2 | Very high | 33 Ų | 33 | 52.7 Ų | 52.7 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 115 | 172.8 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | S36 I114 T116 I159 | S36-V38 PolarHBondContact OG-N 3.4Å; S36-V38 PolarHBondContact OG-O 2.91Å; S36-V38 VanDerWaalsContact OG-O 3.05Å; V38-I114 HydrophobicContact CG1-CB 4.46Å; V38-I114 HydrophobicContact CG1-CG2 4.21Å; V38-I114 HydrophobicContact CG2-CB 4.27Å; V38-I114 HydrophobicContact CG2-CD1 3.96Å; V38-T116 HydrophobicContact CG1-CG2 3.44Å; V38-T116 VanDerWaalsContact CG1-CG2 3.44Å; V38-I159 HydrophobicContact CG2-CD1 4.35Å; V38-I159 HydrophobicContact CG2-CG2 4.06Å |
| 39 | V | 94.3 | Very high | 93.6 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 130.5 | -167 | -163.6 | 0 | 0 | 0 | 0 | 109.9 | S36 V45 V84 I113 I114 V115 T116 | S36-V39 WeakPolarHBondContact O-CG2 3.34Å; V39-V45 HydrophobicContact CG1-CB 4.43Å; V39-V45 HydrophobicContact CG2-CB 3.73Å; V39-V45 HydrophobicContact CG2-CG1 4.07Å; V39-V45 HydrophobicContact CG2-CG2 4.06Å; V39-V84 HydrophobicContact CG1-CB 4.36Å; V39-V84 HydrophobicContact CG1-CG2 3.89Å; V39-I113 HydrophobicContact CG2-CG2 4.47Å; V39-I114 PolarHBondContact N-O 2.89Å; V39-V115 CarbonylContact O-C 3.59Å; V39-V115 VanDerWaalsContact O-CA 3.31Å; V39-V115 WeakPolarHBondContact O-CA 3.43Å; V39-T116 PolarHBondContact O-N 2.85Å |
| 40 | P | 95 | Very high | 93.9 | Very high | 77 Ų | 77 | 47 Ų | 47 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 151.1 | 174.4 | 29 | -34.4 | 0 | 0 | 0 | 111.5 | G42 G43 T116 | P40-G42 PolarHBondContact O-N 3.07Å; P40-G43 WeakPolarHBondContact O-CA 3.25Å; P40-G43 PolarHBondContact O-N 2.79Å; P40-T116 WeakPolarHBondContact CA-OG1 3.39Å |
| 41 | L | 96.6 | Very high | 93.6 | Very high | 87 Ų | 87 | 46.5 Ų | 46.5 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 134.8 | 170.2 | -175.7 | 70.7 | 0 | 0 | 0 | 110.8 | G43 P86 V115 T116 L118 | L41-G43 PolarHBondContact O-N 2.81Å; L41-P86 HydrophobicContact CD1-CG 4.4Å; L41-V115 HydrophobicContact CD1-CG1 4.44Å; L41-T116 PolarHBondContact N-O 2.93Å; L41-L118 HydrophobicContact CB-CD2 4.42Å; L41-L118 HydrophobicContact CD1-CD2 3.87Å; L41-L118 HydrophobicContact CD2-CD2 4.14Å; L41-L118 HydrophobicContact CG-CD2 4.36Å |
| 42 | G | 96.4 | Very high | 92.9 | Very high | 48 Ų | 48 | 55.2 Ų | 55.2 | 50% | 0.495 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | -3.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P40 V84 | P40-G42 PolarHBondContact O-N 3.07Å; G42-V84 PolarHBondContact N-O 3.08Å |
| 43 | G | 96.1 | Very high | 91.9 | Very high | 18 Ų | 18 | 55.5 Ų | 55.5 | 19% | 0.186 | 30% | 0.3 | C | S | . | . | trans | -71.9 | -164.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | P40 L41 V84 | P40-G43 WeakPolarHBondContact O-CA 3.25Å; P40-G43 PolarHBondContact O-N 2.79Å; L41-G43 PolarHBondContact O-N 2.81Å; G43-V84 PolarHBondContact O-N 2.64Å | ||
| 44 | R | 96.8 | Very high | 90.8 | Very high | 153 Ų | 153 | 65.5 Ų | 65.5 | 58% | 0.577 | 33% | 0.334 | S | S | * | . | trans | -137.7 | 138.1 | 180 | 177.1 | 178.2 | -64.5 | -179.3 | 1 | 110.5 | T80 I81 S82 | R44-T80 HydrophobicContact CG-CG2 3.71Å; R44-I81 WeakPolarHBondContact CA-O 3.49Å; R44-S82 PolarHBondContact NE-OG 2.86Å | ||
| 45 | V | 95.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 140.6 | 170.8 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | A33 W34 V39 L47 T80 I81 V84 | A33-V45 HydrophobicContact CB-CG2 3.75Å; W34-V45 CarbonylContact O-C 3.56Å; W34-V45 WeakPolarHBondContact O-CA 3.42Å; V39-V45 HydrophobicContact CG1-CB 4.43Å; V39-V45 HydrophobicContact CG2-CB 3.73Å; V39-V45 HydrophobicContact CG2-CG1 4.07Å; V39-V45 HydrophobicContact CG2-CG2 4.06Å; V45-L47 HydrophobicContact CG2-CD2 4.23Å; V45-T80 WeakPolarHBondContact O-CA 2.99Å; V45-I81 HydrophobicContact CG1-CB 4.06Å; V45-I81 HydrophobicContact CG1-CD1 4.29Å; V45-I81 PolarHBondContact N-O 3.31Å; V45-I81 VanDerWaalsContact N-O 3.11Å; V45-I81 PolarHBondContact O-N 3.2Å; V45-V84 HydrophobicContact CG1-CG2 4.06Å |
| 46 | T | 96.6 | Very high | 89 | Confident | 22 Ų | 22 | 56.3 Ų | 56.3 | 14% | 0.135 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 121.5 | 172.6 | -57.3 | 0 | 0 | 0 | 0 | 108.7 | A33 W34 N78 I79 T80 | A33-T46 CarbonylContact C-O 3.6Å; A33-T46 WeakPolarHBondContact CA-O 3.4Å; W34-T46 PolarHBondContact N-O 3.08Å; W34-T46 PolarHBondContact O-N 3.38Å; T46-N78 HydrophobicContact CG2-CB 4.3Å; T46-I79 CarbonylContact C-O 3.59Å; T46-I79 VanDerWaalsContact CA-O 3.3Å; T46-I79 WeakPolarHBondContact CA-O 3.36Å; T46-T80 PolarHBondContact OG1-OG1 3.3Å |
| 47 | L | 96.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 137.6 | 170.6 | -53.2 | -174.1 | 0 | 0 | 0 | 108.4 | L31 S32 A33 V45 I60 N78 I79 I81 Y92 L111 I113 | L31-L47 HydrophobicContact CD1-CB 4.23Å; S32-L47 WeakPolarHBondContact O-CA 3.41Å; A33-L47 HydrophobicContact CB-CD2 3.92Å; V45-L47 HydrophobicContact CG2-CD2 4.23Å; L47-I60 HydrophobicContact CB-CD1 4.37Å; L47-I60 HydrophobicContact CD1-CG2 4.43Å; L47-N78 CarbonylContact O-C 3.56Å; L47-N78 WeakPolarHBondContact O-CA 3.37Å; L47-I79 HydrophobicContact CB-CG2 3.96Å; L47-I79 HydrophobicContact CD1-CG2 4.44Å; L47-I79 HydrophobicContact CG-CG2 4.42Å; L47-I79 PolarHBondContact N-O 3.46Å; L47-I79 PolarHBondContact O-N 2.67Å; L47-I81 HydrophobicContact CD1-CD1 4.16Å; L47-I81 HydrophobicContact CG-CD1 4.46Å; L47-Y92 HydrophobicContact CD1-CD1 3.47Å; L47-Y92 VanDerWaalsContact CD1-CD1 3.47Å; L47-Y92 HydrophobicContact CD1-CE1 3.74Å; L47-Y92 HydrophobicContact CD1-CG 3.88Å; L47-L111 HydrophobicContact CD2-CD2 4.02Å; L47-I113 HydrophobicContact CD2-CD1 3.67Å; L47-I113 HydrophobicContact CD2-CG1 4.14Å |
| 48 | S | 94.1 | Very high | 88.5 | Confident | 16 Ų | 16 | 56.8 Ų | 56.8 | 11% | 0.112 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 127.1 | -179.2 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | S32 H50 N77 | S32-S48 PolarHBondContact N-O 3.22Å; S32-S48 PolarHBondContact O-N 3.45Å; S32-S48 PolarHBondContact OG-O 2.83Å; S48-H50 PolarHBondContact O-CD2 2.88Å; S48-H50 VanDerWaalsContact O-CD2 3.26Å; S48-H50 PolarHBondContact O-NE2 2.8Å; S48-N77 WeakPolarHBondContact CA-O 3.45Å |
| 49 | C | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 128 | 172.9 | -63.2 | 0 | 0 | 0 | 0 | 109.9 | S30 W58 N77 C94 | S30-C49 CarbonylContact O-C 3.58Å; S30-C49 WeakPolarHBondContact O-CA 3.48Å; C49-W58 HydrophobicContact CB-CD2 4.4Å; C49-W58 HydrophobicContact CB-CE3 3.61Å; C49-W58 HydrophobicContact CB-CH2 4.21Å; C49-W58 HydrophobicContact CB-CZ3 3.51Å; C49-N77 HydrophobicContact CB-CB 4.36Å; C49-N77 PolarHBondContact N-O 3.27Å; C49-N77 WeakPolarHBondContact O-CB 3.22Å; C49-N77 PolarHBondContact O-ND2 3.43Å; C49-C94 HydrophobicContact CB-CB 4.29Å; C49-C94 WeakPolarHBondContact CB-SG 3.5Å; C49-C94 WeakPolarHBondContact SG-CB 3.43Å; C49-C94 CovalentContact SG-SG 2.03Å; C49-C94 PolarHBondContact SG-SG 3.03Å |
| 50 | H | 88.1 | Confident | 88.2 | Confident | 87 Ų | 87 | 55 Ų | 55 | 40% | 0.403 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123.3 | -178 | -57.6 | -85.2 | 0 | 0 | 0 | 108.7 | F29 S30 S32 S48 | F29-H50 CarbonylContact C-O 3.58Å; F29-H50 WeakPolarHBondContact CA-O 3.27Å; F29-H50 VanDerWaalsContact CB-O 3.24Å; F29-H50 WeakPolarHBondContact CB-O 3.34Å; S30-H50 PolarHBondContact N-O 3.11Å; S30-H50 PolarHBondContact O-N 2.71Å; S32-H50 PolarHBondContact OG-CD2 2.89Å; S32-H50 PolarHBondContact OG-NE2 2.79Å; S48-H50 PolarHBondContact O-CD2 2.88Å; S48-H50 VanDerWaalsContact O-CD2 3.26Å; S48-H50 PolarHBondContact O-NE2 2.8Å |
| 51 | S | 83.3 | Confident | 88.1 | Confident | 36 Ų | 36 | 53.9 Ų | 53.9 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | trans | -141.1 | 149.4 | 170.8 | -169.2 | 0 | 0 | 0 | 0 | 111.2 | L53 F55 | S51-L53 WeakPolarHBondContact OG-CB 3.26Å; S51-L53 PolarHBondContact OG-N 2.87Å; S51-F55 VanDerWaalsContact OG-CE2 3.29Å; S51-F55 WeakPolarHBondContact OG-CE2 3.5Å | ||
| 52 | H | 78.9 | Confident | 87.9 | Confident | 188 Ų | 188 | 50.5 Ų | 50.5 | 87% | 0.87 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -77.7 | -14.1 | 166.8 | -58.6 | -66.5 | 0 | 0 | 0 | 112.3 | ||
| 53 | L | 74.3 | Confident | 87.4 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 24% | 0.241 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -91.1 | 149.7 | -179.5 | -58.1 | 173.3 | 0 | 0 | 0 | 111.1 | D27 S51 F55 Y98 | D27-L53 HydrophobicContact CB-CD1 3.42Å; D27-L53 VanDerWaalsContact CB-CD1 3.42Å; D27-L53 HydrophobicContact CB-CG 4.12Å; S51-L53 WeakPolarHBondContact OG-CB 3.26Å; S51-L53 PolarHBondContact OG-N 2.87Å; L53-F55 HydrophobicContact CB-CD2 4.4Å; L53-F55 HydrophobicContact CB-CE2 3.85Å; L53-F55 HydrophobicContact CB-CZ 3.99Å; L53-F55 HydrophobicContact CD1-CZ 4.06Å; L53-F55 PolarHBondContact O-N 2.93Å; L53-Y98 HydrophobicContact CB-CE1 4.42Å; L53-Y98 HydrophobicContact CD1-CE1 3.98Å |
| 54 | R | 71.7 | Confident | 86.5 | Confident | 229 Ų | 229 | 52 Ų | 52 | 86% | 0.864 | 24% | 0.244 | S | C | * | . | trans | -88.5 | 98 | 178.8 | -62.4 | -162.1 | -173.4 | -166.2 | 4.1 | 110.9 | ||||
| 55 | F | 74.2 | Confident | 85.3 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 10% | 0.096 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 150.2 | 169.8 | -60.2 | -72.3 | 0 | 0 | 0 | 111.3 | S51 L53 W58 Y98 | S51-F55 VanDerWaalsContact OG-CE2 3.29Å; S51-F55 WeakPolarHBondContact OG-CE2 3.5Å; L53-F55 HydrophobicContact CB-CD2 4.4Å; L53-F55 HydrophobicContact CB-CE2 3.85Å; L53-F55 HydrophobicContact CB-CZ 3.99Å; L53-F55 HydrophobicContact CD1-CZ 4.06Å; L53-F55 PolarHBondContact O-N 2.93Å; F55-W58 HydrophobicContact CB-CD2 4.28Å; F55-W58 HydrophobicContact CB-CH2 4.31Å; F55-W58 HydrophobicContact CB-CZ2 3.8Å; F55-W58 HydrophobicContact CD2-CE3 4.46Å; F55-W58 AromaticContact CD2-CH2 3.27Å; F55-W58 HydrophobicContact CD2-CH2 3.27Å; F55-W58 AromaticContact CD2-CZ2 3.55Å; F55-W58 HydrophobicContact CD2-CZ2 3.55Å; F55-W58 AromaticContact CD2-CZ3 3.74Å; F55-W58 HydrophobicContact CD2-CZ3 3.74Å; F55-W58 AromaticContact CE2-CH2 3.91Å; F55-W58 HydrophobicContact CE2-CH2 3.91Å; F55-W58 HydrophobicContact CE2-CZ3 4.19Å; F55-W58 HydrophobicContact CG-CH2 4.15Å; F55-W58 HydrophobicContact CG-CZ2 4.12Å; F55-W58 HydrophobicContact CG-CZ3 4.43Å; F55-Y98 HydrophobicContact CD1-CD1 4.02Å; F55-Y98 HydrophobicContact CD1-CE1 4.09Å; F55-Y98 HydrophobicContact CD1-CG 4.4Å; F55-Y98 AromaticContact CE1-CD1 3.7Å; F55-Y98 HydrophobicContact CE1-CD1 3.7Å; F55-Y98 HydrophobicContact CE1-CD2 4.33Å; F55-Y98 AromaticContact CE1-CE1 3.32Å; F55-Y98 HydrophobicContact CE1-CE1 3.32Å; F55-Y98 AromaticContact CE1-CE2 3.99Å; F55-Y98 HydrophobicContact CE1-CE2 3.99Å; F55-Y98 HydrophobicContact CE1-CG 4.18Å; F55-Y98 AromaticContact CE1-CZ 3.47Å; F55-Y98 VanDerWaalsContact CE1-CZ 3.47Å; F55-Y98 AromaticContact CZ-CE1 3.87Å; F55-Y98 HydrophobicContact CZ-CE1 3.87Å; F55-Y98 AromaticContact CZ-CZ 3.97Å |
| 56 | V | 74.6 | Confident | 84 | Confident | 50 Ų | 50 | 55.2 Ų | 55.2 | 30% | 0.303 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -43.6 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | L75 I97 K99 | V56-L75 HydrophobicContact CG1-CD2 3.82Å; V56-L75 WeakPolarHBondContact O-CA 3.24Å; V56-L75 WeakPolarHBondContact O-CD2 3.47Å; V56-I97 PolarHBondContact N-O 2.87Å; V56-K99 HydrophobicContact CG2-CB 3.25Å; V56-K99 HydrophobicContact CG2-CD 3.93Å; V56-K99 HydrophobicContact CG2-CG 3.47Å; V56-K99 VanDerWaalsContact CG2-CG 3.47Å |
| 57 | I | 83.8 | Confident | 83 | Confident | 59 Ų | 59 | 62.7 Ų | 62.7 | 30% | 0.303 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 132.1 | -178.8 | -58.6 | 174.7 | 0 | 0 | 0 | 107.4 | T73 G74 G96 I97 | I57-T73 HydrophobicContact CG2-CG2 3.55Å; I57-G74 WeakPolarHBondContact CA-O 3.44Å; I57-G96 CarbonylContact O-C 3.58Å; I57-G96 VanDerWaalsContact O-CA 3.27Å; I57-G96 WeakPolarHBondContact O-CA 3.47Å; I57-I97 HydrophobicContact CB-CB 4.24Å; I57-I97 HydrophobicContact CB-CD1 4.21Å; I57-I97 HydrophobicContact CB-CG1 4.39Å; I57-I97 HydrophobicContact CD1-CD1 4.43Å; I57-I97 HydrophobicContact CG2-CD1 4.35Å; I57-I97 PolarHBondContact O-N 2.83Å |
| 58 | W | 87.8 | Confident | 82.4 | Confident | 17 Ų | 17 | 66.8 Ų | 66.8 | 6% | 0.064 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.4 | 173.1 | -63.2 | 92.5 | 0 | 0 | 0 | 108.4 | F29 C49 F55 T73 G74 N77 | F29-W58 HydrophobicContact CD2-CZ3 4.46Å; C49-W58 HydrophobicContact CB-CD2 4.4Å; C49-W58 HydrophobicContact CB-CE3 3.61Å; C49-W58 HydrophobicContact CB-CH2 4.21Å; C49-W58 HydrophobicContact CB-CZ3 3.51Å; F55-W58 HydrophobicContact CB-CD2 4.28Å; F55-W58 HydrophobicContact CB-CH2 4.31Å; F55-W58 HydrophobicContact CB-CZ2 3.8Å; F55-W58 HydrophobicContact CD2-CE3 4.46Å; F55-W58 AromaticContact CD2-CH2 3.27Å; F55-W58 HydrophobicContact CD2-CH2 3.27Å; F55-W58 AromaticContact CD2-CZ2 3.55Å; F55-W58 HydrophobicContact CD2-CZ2 3.55Å; F55-W58 AromaticContact CD2-CZ3 3.74Å; F55-W58 HydrophobicContact CD2-CZ3 3.74Å; F55-W58 AromaticContact CE2-CH2 3.91Å; F55-W58 HydrophobicContact CE2-CH2 3.91Å; F55-W58 HydrophobicContact CE2-CZ3 4.19Å; F55-W58 HydrophobicContact CG-CH2 4.15Å; F55-W58 HydrophobicContact CG-CZ2 4.12Å; F55-W58 HydrophobicContact CG-CZ3 4.43Å; W58-T73 CarbonylContact O-C 3.56Å; W58-T73 VanDerWaalsContact O-CA 3.25Å; W58-T73 WeakPolarHBondContact O-CA 3.37Å; W58-G74 PolarHBondContact N-O 2.84Å; W58-G74 PolarHBondContact O-N 2.82Å; W58-N77 HydrophobicContact CD2-CB 3.76Å; W58-N77 HydrophobicContact CE3-CB 4.45Å; W58-N77 HydrophobicContact CG-CB 3.88Å; W58-N77 HydrophobicContact CZ2-CB 3.93Å |
| 59 | T | 89.8 | Confident | 82 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.3 | 171.6 | -58.6 | 0 | 0 | 0 | 0 | 109.4 | F61 E70 H72 T73 C94 V95 | T59-F61 HydrophobicContact CG2-CD1 4.14Å; T59-F61 HydrophobicContact CG2-CD2 4.21Å; T59-F61 HydrophobicContact CG2-CE1 3.54Å; T59-F61 HydrophobicContact CG2-CE2 3.65Å; T59-F61 HydrophobicContact CG2-CG 4.44Å; T59-F61 HydrophobicContact CG2-CZ 3.27Å; T59-E70 HydrophobicContact CG2-CG 3.72Å; T59-H72 CarbonylContact C-O 3.51Å; T59-H72 WeakPolarHBondContact CA-O 3.31Å; T59-T73 WeakPolarHBondContact CG2-OG1 3.37Å; T59-T73 PolarHBondContact OG1-OG1 2.86Å; T59-C94 CarbonylContact O-C 3.56Å; T59-C94 WeakPolarHBondContact O-CA 3.34Å; T59-C94 VanDerWaalsContact O-CB 3.32Å; T59-C94 WeakPolarHBondContact O-CB 3.29Å; T59-V95 PolarHBondContact N-O 2.94Å; T59-V95 PolarHBondContact O-N 3.03Å |
| 60 | I | 91.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.4 | 174.9 | -52.2 | -167.2 | 0 | 0 | 0 | 108.3 | L31 L47 L71 H72 I79 Y92 R93 C94 | L31-I60 HydrophobicContact CD1-CD1 4.48Å; L47-I60 HydrophobicContact CB-CD1 4.37Å; L47-I60 HydrophobicContact CD1-CG2 4.43Å; I60-L71 PolarHBondContact O-N 2.89Å; I60-H72 HydrophobicContact CB-CB 4.37Å; I60-H72 PolarHBondContact N-O 3.26Å; I60-H72 PolarHBondContact O-N 2.94Å; I60-I79 HydrophobicContact CD1-CG2 3.82Å; I60-Y92 HydrophobicContact CG2-CD1 4.08Å; I60-R93 WeakPolarHBondContact CA-O 3.42Å; I60-C94 HydrophobicContact CB-CB 4.45Å; I60-C94 HydrophobicContact CG1-CB 3.88Å |
| 61 | F | 92.1 | Very high | 81.9 | Confident | 53 Ų | 53 | 74.8 Ų | 74.8 | 23% | 0.232 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 141.1 | 175.9 | -57.6 | -76.3 | 0 | 0 | 0 | 110.2 | T59 H69 E70 Y92 R93 V95 | T59-F61 HydrophobicContact CG2-CD1 4.14Å; T59-F61 HydrophobicContact CG2-CD2 4.21Å; T59-F61 HydrophobicContact CG2-CE1 3.54Å; T59-F61 HydrophobicContact CG2-CE2 3.65Å; T59-F61 HydrophobicContact CG2-CG 4.44Å; T59-F61 HydrophobicContact CG2-CZ 3.27Å; F61-H69 CarbonylContact C-O 3.59Å; F61-H69 VanDerWaalsContact CA-O 3.3Å; F61-H69 WeakPolarHBondContact CA-O 3.28Å; F61-E70 HydrophobicContact CD1-CB 4.1Å; F61-E70 HydrophobicContact CD1-CG 4.45Å; F61-E70 HydrophobicContact CE1-CB 4.05Å; F61-E70 HydrophobicContact CE1-CG 4.18Å; F61-Y92 VanDerWaalsContact O-CA 3.3Å; F61-Y92 WeakPolarHBondContact O-CA 3.44Å; F61-R93 PolarHBondContact N-O 2.86Å; F61-R93 PolarHBondContact O-N 2.84Å; F61-V95 HydrophobicContact CD2-CG2 4.38Å; F61-V95 HydrophobicContact CE2-CG1 4.42Å; F61-V95 HydrophobicContact CE2-CG2 3.55Å; F61-V95 HydrophobicContact CZ-CG2 4.35Å |
| 62 | Q | 92.3 | Very high | 82.1 | Confident | 16 Ų | 16 | 75 Ų | 75 | 8% | 0.075 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.1 | 164.1 | -174 | -174.6 | 8 | 0 | 0 | 108.8 | T64 S68 H69 E87 H88 A89 T91 Y92 | Q62-T64 HydrophobicContact CG-CG2 4.28Å; Q62-S68 CarbonylContact O-C 3.56Å; Q62-S68 WeakPolarHBondContact O-CA 2.89Å; Q62-H69 PolarHBondContact N-O 3.17Å; Q62-H69 PolarHBondContact O-N 2.86Å; Q62-E87 PolarHBondContact NE2-O 3.38Å; Q62-H88 VanDerWaalsContact NE2-C 3.32Å; Q62-H88 PolarHBondContact NE2-O 2.82Å; Q62-A89 PolarHBondContact NE2-O 2.75Å; Q62-A89 VanDerWaalsContact NE2-O 3.09Å; Q62-T91 CarbonylContact C-O 3.45Å; Q62-Y92 HydrophobicContact CB-CD1 4.01Å; Q62-Y92 HydrophobicContact CB-CE1 3.61Å; Q62-Y92 VanDerWaalsContact CD-OH 3.24Å; Q62-Y92 HydrophobicContact CG-CD1 4.33Å; Q62-Y92 HydrophobicContact CG-CD2 4.45Å; Q62-Y92 HydrophobicContact CG-CE1 3.76Å; Q62-Y92 HydrophobicContact CG-CE2 3.88Å; Q62-Y92 PolarHBondContact NE2-OH 3.33Å |
| 63 | T | 86.3 | Confident | 82.5 | Confident | 43 Ų | 43 | 69 Ų | 69 | 26% | 0.264 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.4 | 174.4 | -50.1 | 0 | 0 | 0 | 0 | 109.7 | R67 T91 | T63-R67 VanDerWaalsContact CA-O 3.28Å; T63-R67 WeakPolarHBondContact CA-O 3.47Å; T63-T91 PolarHBondContact N-O 2.79Å; T63-T91 PolarHBondContact O-N 3.1Å; T63-T91 VanDerWaalsContact O-N 3.08Å |
| 64 | T | 76.7 | Confident | 83.1 | Confident | 54 Ų | 54 | 67.8 Ų | 67.8 | 33% | 0.331 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 110.2 | 174.1 | 50.5 | 0 | 0 | 0 | 0 | 108.5 | Q62 T66 R67 A89 | Q62-T64 HydrophobicContact CG-CG2 4.28Å; T64-T66 PolarHBondContact O-N 3.39Å; T64-T66 VanDerWaalsContact O-N 3.14Å; T64-R67 PolarHBondContact N-O 3.36Å; T64-R67 PolarHBondContact O-N 3.17Å; T64-R67 VanDerWaalsContact O-N 3.14Å; T64-A89 WeakPolarHBondContact CG2-O 3.48Å |
| 65 | G | 72.6 | Confident | 83.7 | Confident | 76 Ų | 76 | 63.2 Ų | 63.2 | 78% | 0.784 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | -114.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 66 | T | 67.9 | Low | 84.3 | Confident | 144 Ų | 144 | 64.7 Ų | 64.7 | 88% | 0.883 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -7.2 | 178.5 | 56.3 | 0 | 0 | 0 | 0 | 114 | T64 | T64-T66 PolarHBondContact O-N 3.39Å; T64-T66 VanDerWaalsContact O-N 3.14Å |
| 67 | R | 76.6 | Confident | 84.9 | Confident | 179 Ų | 179 | 65 Ų | 65 | 68% | 0.675 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135 | -176.8 | -67.2 | -178.6 | 174.3 | 169 | -1.2 | 110.2 | T63 T64 | T63-R67 VanDerWaalsContact CA-O 3.28Å; T63-R67 WeakPolarHBondContact CA-O 3.47Å; T64-R67 PolarHBondContact N-O 3.36Å; T64-R67 PolarHBondContact O-N 3.17Å; T64-R67 VanDerWaalsContact O-N 3.14Å |
| 68 | S | 82.3 | Confident | 85.3 | Confident | 86 Ų | 86 | 65.3 Ų | 65.3 | 60% | 0.601 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.7 | 170.8 | 54.9 | 0 | 0 | 0 | 0 | 109.3 | Q62 | Q62-S68 CarbonylContact O-C 3.56Å; Q62-S68 WeakPolarHBondContact O-CA 2.89Å |
| 69 | H | 86 | Confident | 85.6 | Confident | 96 Ų | 96 | 66 Ų | 66 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130 | 179.3 | -64.4 | -83.3 | 0 | 0 | 0 | 108.4 | F61 Q62 L71 | F61-H69 CarbonylContact C-O 3.59Å; F61-H69 VanDerWaalsContact CA-O 3.3Å; F61-H69 WeakPolarHBondContact CA-O 3.28Å; Q62-H69 PolarHBondContact N-O 3.17Å; Q62-H69 PolarHBondContact O-N 2.86Å; H69-L71 PolarHBondContact O-N 2.86Å |
| 70 | E | 88.8 | Confident | 85.9 | Confident | 121 Ų | 121 | 69.6 Ų | 69.6 | 57% | 0.565 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 114.1 | 171.2 | -173.3 | 174.3 | 129.7 | 0 | 0 | 108.8 | T59 F61 T73 | T59-E70 HydrophobicContact CG2-CG 3.72Å; F61-E70 HydrophobicContact CD1-CB 4.1Å; F61-E70 HydrophobicContact CD1-CG 4.45Å; F61-E70 HydrophobicContact CE1-CB 4.05Å; F61-E70 HydrophobicContact CE1-CG 4.18Å; E70-T73 WeakPolarHBondContact OE1-CB 3.44Å; E70-T73 PolarHBondContact OE1-OG1 2.95Å |
| 71 | L | 87.5 | Confident | 86.1 | Confident | 55 Ų | 55 | 70 Ų | 70 | 29% | 0.288 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -37.3 | 179.8 | -175.3 | 69.8 | 0 | 0 | 0 | 111.3 | I60 H69 I79 I81 Y92 | I60-L71 PolarHBondContact O-N 2.89Å; H69-L71 PolarHBondContact O-N 2.86Å; L71-I79 HydrophobicContact CD2-CD1 4.14Å; L71-I79 HydrophobicContact CG-CD1 4.05Å; L71-I81 HydrophobicContact CD2-CD1 3.89Å; L71-I81 HydrophobicContact CD2-CG1 4.29Å; L71-Y92 HydrophobicContact CD2-CD1 4.49Å; L71-Y92 HydrophobicContact CD2-CE1 3.69Å |
| 72 | H | 88.1 | Confident | 86.3 | Confident | 40 Ų | 40 | 70.3 Ų | 70.3 | 19% | 0.185 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 133.3 | -175.3 | 176.9 | 71 | 0 | 0 | 0 | 110.4 | T59 I60 S76 I79 | T59-H72 CarbonylContact C-O 3.51Å; T59-H72 WeakPolarHBondContact CA-O 3.31Å; I60-H72 HydrophobicContact CB-CB 4.37Å; I60-H72 PolarHBondContact N-O 3.26Å; I60-H72 PolarHBondContact O-N 2.94Å; H72-S76 PolarHBondContact NE2-O 1.99Å; H72-I79 HydrophobicContact CB-CB 4.25Å; H72-I79 HydrophobicContact CB-CD1 3.69Å; H72-I79 HydrophobicContact CB-CG2 4.44Å |
| 73 | T | 87.9 | Confident | 86.5 | Confident | 63 Ų | 63 | 73.6 Ų | 73.6 | 39% | 0.387 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 126.2 | 165.6 | -71.3 | 0 | 0 | 0 | 0 | 109.7 | I57 W58 T59 E70 | I57-T73 HydrophobicContact CG2-CG2 3.55Å; W58-T73 CarbonylContact O-C 3.56Å; W58-T73 VanDerWaalsContact O-CA 3.25Å; W58-T73 WeakPolarHBondContact O-CA 3.37Å; T59-T73 WeakPolarHBondContact CG2-OG1 3.37Å; T59-T73 PolarHBondContact OG1-OG1 2.86Å; E70-T73 WeakPolarHBondContact OE1-CB 3.44Å; E70-T73 PolarHBondContact OE1-OG1 2.95Å |
| 74 | G | 86.5 | Confident | 87 | Confident | 19 Ų | 19 | 71.6 Ų | 71.6 | 20% | 0.196 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.9 | -170 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I57 W58 S76 | I57-G74 WeakPolarHBondContact CA-O 3.44Å; W58-G74 PolarHBondContact N-O 2.84Å; W58-G74 PolarHBondContact O-N 2.82Å; G74-S76 VanDerWaalsContact C-N 3.3Å |
| 75 | L | 85.2 | Confident | 87.9 | Confident | 134 Ų | 134 | 70.9 Ų | 70.9 | 70% | 0.702 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -72.3 | -26.2 | 179.9 | -58.1 | 178.6 | 0 | 0 | 0 | 112.8 | V56 | V56-L75 HydrophobicContact CG1-CD2 3.82Å; V56-L75 WeakPolarHBondContact O-CA 3.24Å; V56-L75 WeakPolarHBondContact O-CD2 3.47Å |
| 76 | S | 86 | Confident | 88.9 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 37% | 0.371 | 39% | 0.39 | S | S | . | . | trans | -74.6 | 127.8 | 177.2 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | H72 G74 N78 | H72-S76 PolarHBondContact NE2-O 1.99Å; G74-S76 VanDerWaalsContact C-N 3.3Å; S76-N78 PolarHBondContact O-N 3.21Å; S76-N78 PolarHBondContact OG-N 2.75Å; S76-N78 VanDerWaalsContact OG-N 3.09Å; S76-N78 PolarHBondContact OG-O 3.34Å | ||
| 77 | N | 87.6 | Confident | 90.1 | Very high | 55 Ų | 55 | 69.5 Ų | 69.5 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -78.7 | 3.2 | 169.2 | 61.5 | -47.3 | 0 | 0 | 0 | 112.9 | S48 C49 W58 | S48-N77 WeakPolarHBondContact CA-O 3.45Å; C49-N77 HydrophobicContact CB-CB 4.36Å; C49-N77 PolarHBondContact N-O 3.27Å; C49-N77 WeakPolarHBondContact O-CB 3.22Å; C49-N77 PolarHBondContact O-ND2 3.43Å; W58-N77 HydrophobicContact CD2-CB 3.76Å; W58-N77 HydrophobicContact CE3-CB 4.45Å; W58-N77 HydrophobicContact CG-CB 3.88Å; W58-N77 HydrophobicContact CZ2-CB 3.93Å |
| 78 | N | 92.3 | Very high | 90.9 | Very high | 67 Ų | 67 | 62.4 Ų | 62.4 | 36% | 0.358 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142.8 | -175.9 | -32.9 | -15.3 | 0 | 0 | 0 | 110.7 | T46 L47 S76 | T46-N78 HydrophobicContact CG2-CB 4.3Å; L47-N78 CarbonylContact O-C 3.56Å; L47-N78 WeakPolarHBondContact O-CA 3.37Å; S76-N78 PolarHBondContact O-N 3.21Å; S76-N78 PolarHBondContact OG-N 2.75Å; S76-N78 VanDerWaalsContact OG-N 3.09Å; S76-N78 PolarHBondContact OG-O 3.34Å |
| 79 | I | 94.4 | Very high | 91.4 | Very high | 32 Ų | 32 | 58.7 Ų | 58.7 | 16% | 0.164 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139.5 | 166.5 | -179.6 | 164.8 | 0 | 0 | 0 | 109.6 | T46 L47 I60 L71 H72 | T46-I79 CarbonylContact C-O 3.59Å; T46-I79 VanDerWaalsContact CA-O 3.3Å; T46-I79 WeakPolarHBondContact CA-O 3.36Å; L47-I79 HydrophobicContact CB-CG2 3.96Å; L47-I79 HydrophobicContact CD1-CG2 4.44Å; L47-I79 HydrophobicContact CG-CG2 4.42Å; L47-I79 PolarHBondContact N-O 3.46Å; L47-I79 PolarHBondContact O-N 2.67Å; I60-I79 HydrophobicContact CD1-CG2 3.82Å; L71-I79 HydrophobicContact CD2-CD1 4.14Å; L71-I79 HydrophobicContact CG-CD1 4.05Å; H72-I79 HydrophobicContact CB-CB 4.25Å; H72-I79 HydrophobicContact CB-CD1 3.69Å; H72-I79 HydrophobicContact CB-CG2 4.44Å |
| 80 | T | 96.1 | Very high | 91.7 | Very high | 75 Ų | 75 | 54.1 Ų | 54.1 | 46% | 0.46 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.3 | 172.9 | -59.4 | 0 | 0 | 0 | 0 | 109.7 | R44 V45 T46 | R44-T80 HydrophobicContact CG-CG2 3.71Å; V45-T80 WeakPolarHBondContact O-CA 2.99Å; T46-T80 PolarHBondContact OG1-OG1 3.3Å |
| 81 | I | 96 | Very high | 92 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 5% | 0.046 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 117.7 | 174.5 | -56.8 | 170.4 | 0 | 0 | 0 | 107.2 | R44 V45 L47 L71 V84 H88 | R44-I81 WeakPolarHBondContact CA-O 3.49Å; V45-I81 HydrophobicContact CG1-CB 4.06Å; V45-I81 HydrophobicContact CG1-CD1 4.29Å; V45-I81 PolarHBondContact N-O 3.31Å; V45-I81 VanDerWaalsContact N-O 3.11Å; V45-I81 PolarHBondContact O-N 3.2Å; L47-I81 HydrophobicContact CD1-CD1 4.16Å; L47-I81 HydrophobicContact CG-CD1 4.46Å; L71-I81 HydrophobicContact CD2-CD1 3.89Å; L71-I81 HydrophobicContact CD2-CG1 4.29Å; I81-V84 HydrophobicContact CB-CG2 4.43Å; I81-V84 HydrophobicContact CG2-CG2 3.89Å; I81-H88 HydrophobicContact CG2-CB 4.33Å; I81-H88 WeakPolarHBondContact CG2-CD2 3.28Å |
| 82 | S | 95.6 | Very high | 92.3 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 41% | 0.413 | 27% | 0.271 | S | S | . | . | trans | -163.8 | 126.6 | 178.9 | -164.3 | 0 | 0 | 0 | 0 | 109.5 | R44 | R44-S82 PolarHBondContact NE-OG 2.86Š| ||
| 83 | P | 96.7 | Very high | 92.5 | Very high | 86 Ų | 86 | 48.8 Ų | 48.8 | 56% | 0.558 | 28% | 0.277 | S | S | * | . | S | Bend | cis | -71.3 | 147.3 | -7.8 | 30.8 | -34.2 | 0 | 0 | 0 | 112.4 | ||
| 84 | V | 96.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | trans | -73.8 | 132.4 | 171.9 | 172 | 0 | 0 | 0 | 0 | 110.4 | V39 G42 G43 V45 I81 H88 V115 | V39-V84 HydrophobicContact CG1-CB 4.36Å; V39-V84 HydrophobicContact CG1-CG2 3.89Å; G42-V84 PolarHBondContact N-O 3.08Å; G43-V84 PolarHBondContact O-N 2.64Å; V45-V84 HydrophobicContact CG1-CG2 4.06Å; I81-V84 HydrophobicContact CB-CG2 4.43Å; I81-V84 HydrophobicContact CG2-CG2 3.89Å; V84-H88 HydrophobicContact CG1-CB 4.44Å; V84-V115 HydrophobicContact CG1-CB 4.49Å; V84-V115 HydrophobicContact CG1-CG1 4.05Å; V84-V115 HydrophobicContact CG1-CG2 3.67Å | ||
| 85 | T | 95.6 | Very high | 92.8 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 24% | 0.239 | 25% | 0.252 | C | S | . | . | trans | -121.4 | 168.9 | 176.9 | 67.5 | 0 | 0 | 0 | 0 | 109.6 | E87 H88 | T85-E87 PolarHBondContact O-N 2.8Å; T85-E87 VanDerWaalsContact OG1-CD 3.28Å; T85-E87 VanDerWaalsContact OG1-CG 3.24Å; T85-E87 WeakPolarHBondContact OG1-CG 2.98Å; T85-E87 PolarHBondContact OG1-OE1 2.7Å; T85-H88 PolarHBondContact N-ND1 3.02Å; T85-H88 PolarHBondContact O-N 3.38Å; T85-H88 PolarHBondContact OG1-CE1 3.06Å; T85-H88 VanDerWaalsContact OG1-CE1 3.24Å; T85-H88 PolarHBondContact OG1-ND1 3.33Å | ||
| 86 | P | 93.5 | Very high | 93 | Very high | 54 Ų | 54 | 39 Ų | 39 | 35% | 0.351 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -57.1 | -32.2 | 178.9 | -20.6 | 30.2 | 0 | 0 | 0 | 113.4 | L41 H88 A89 L118 | L41-P86 HydrophobicContact CD1-CG 4.4Å; P86-H88 PolarHBondContact O-N 3.14Å; P86-H88 VanDerWaalsContact O-N 3.12Å; P86-A89 WeakPolarHBondContact O-CB 3.25Å; P86-A89 PolarHBondContact O-N 3.48Å; P86-L118 HydrophobicContact CB-CD1 4.22Å; P86-L118 HydrophobicContact CB-CD2 4.36Å; P86-L118 HydrophobicContact CG-CD1 4.45Å; P86-L118 HydrophobicContact CG-CD2 3.71Å |
| 87 | E | 92.1 | Very high | 92.9 | Very high | 136 Ų | 136 | 38 Ų | 38 | 64% | 0.636 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -64.3 | -20.1 | -177.6 | 83.5 | -149.7 | 132.4 | 0 | 0 | 113.4 | Q62 T85 A89 | Q62-E87 PolarHBondContact NE2-O 3.38Å; T85-E87 PolarHBondContact O-N 2.8Å; T85-E87 VanDerWaalsContact OG1-CD 3.28Å; T85-E87 VanDerWaalsContact OG1-CG 3.24Å; T85-E87 WeakPolarHBondContact OG1-CG 2.98Å; T85-E87 PolarHBondContact OG1-OE1 2.7Å; E87-A89 VanDerWaalsContact C-N 3.3Å |
| 88 | H | 93.3 | Very high | 92.6 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -82.6 | -8 | 177.5 | -61.6 | 100.9 | 0 | 0 | 0 | 112.8 | Q62 I81 V84 T85 P86 Y92 | Q62-H88 VanDerWaalsContact NE2-C 3.32Å; Q62-H88 PolarHBondContact NE2-O 2.82Å; I81-H88 HydrophobicContact CG2-CB 4.33Å; I81-H88 WeakPolarHBondContact CG2-CD2 3.28Å; V84-H88 HydrophobicContact CG1-CB 4.44Å; T85-H88 PolarHBondContact N-ND1 3.02Å; T85-H88 PolarHBondContact O-N 3.38Å; T85-H88 PolarHBondContact OG1-CE1 3.06Å; T85-H88 VanDerWaalsContact OG1-CE1 3.24Å; T85-H88 PolarHBondContact OG1-ND1 3.33Å; P86-H88 PolarHBondContact O-N 3.14Å; P86-H88 VanDerWaalsContact O-N 3.12Å; H88-Y92 WeakPolarHBondContact O-CE2 3.11Å; H88-Y92 PolarHBondContact O-OH 2.55Å |
| 89 | A | 93.1 | Very high | 91.4 | Very high | 7 Ų | 7 | 42.5 Ų | 42.5 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | trans | -67.8 | 132.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q62 T64 P86 E87 V115 E205 | Q62-A89 PolarHBondContact NE2-O 2.75Å; Q62-A89 VanDerWaalsContact NE2-O 3.09Å; T64-A89 WeakPolarHBondContact CG2-O 3.48Å; P86-A89 WeakPolarHBondContact O-CB 3.25Å; P86-A89 PolarHBondContact O-N 3.48Å; E87-A89 VanDerWaalsContact C-N 3.3Å; A89-V115 HydrophobicContact CB-CB 4.29Å; A89-V115 HydrophobicContact CB-CG2 3.76Å; A89-E205 HydrophobicContact CB-CG 3.97Å | ||
| 90 | G | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.1 | -172.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K112 I113 | G90-K112 CarbonylContact O-C 3.5Å; G90-K112 WeakPolarHBondContact O-CA 3.48Å; G90-I113 PolarHBondContact N-O 2.83Å; G90-I113 VanDerWaalsContact N-O 3.08Å; G90-I113 PolarHBondContact O-N 2.86Å |
| 91 | T | 93.8 | Very high | 88.8 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.1 | 174.6 | -62.1 | 0 | 0 | 0 | 0 | 110 | Q62 T63 L111 Y204 | Q62-T91 CarbonylContact C-O 3.45Å; T63-T91 PolarHBondContact N-O 2.79Å; T63-T91 PolarHBondContact O-N 3.1Å; T63-T91 VanDerWaalsContact O-N 3.08Å; T91-L111 CarbonylContact C-O 3.53Å; T91-L111 WeakPolarHBondContact CA-O 3.44Å; T91-Y204 PolarHBondContact OG1-OH 3.4Å |
| 92 | Y | 93.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 144.2 | -179.7 | -69.6 | -100.6 | 0 | 0 | 0 | 110.6 | L47 I60 F61 Q62 L71 H88 L111 I113 | L47-Y92 HydrophobicContact CD1-CD1 3.47Å; L47-Y92 VanDerWaalsContact CD1-CD1 3.47Å; L47-Y92 HydrophobicContact CD1-CE1 3.74Å; L47-Y92 HydrophobicContact CD1-CG 3.88Å; I60-Y92 HydrophobicContact CG2-CD1 4.08Å; F61-Y92 VanDerWaalsContact O-CA 3.3Å; F61-Y92 WeakPolarHBondContact O-CA 3.44Å; Q62-Y92 HydrophobicContact CB-CD1 4.01Å; Q62-Y92 HydrophobicContact CB-CE1 3.61Å; Q62-Y92 VanDerWaalsContact CD-OH 3.24Å; Q62-Y92 HydrophobicContact CG-CD1 4.33Å; Q62-Y92 HydrophobicContact CG-CD2 4.45Å; Q62-Y92 HydrophobicContact CG-CE1 3.76Å; Q62-Y92 HydrophobicContact CG-CE2 3.88Å; Q62-Y92 PolarHBondContact NE2-OH 3.33Å; L71-Y92 HydrophobicContact CD2-CD1 4.49Å; L71-Y92 HydrophobicContact CD2-CE1 3.69Å; H88-Y92 WeakPolarHBondContact O-CE2 3.11Å; H88-Y92 PolarHBondContact O-OH 2.55Å; Y92-L111 PolarHBondContact N-O 3.46Å; Y92-L111 PolarHBondContact O-N 3.43Å; Y92-I113 HydrophobicContact CD2-CB 4.05Å; Y92-I113 HydrophobicContact CD2-CG1 3.48Å; Y92-I113 VanDerWaalsContact CD2-CG1 3.48Å; Y92-I113 HydrophobicContact CE2-CB 3.71Å; Y92-I113 HydrophobicContact CE2-CG1 3.51Å; Y92-I113 HydrophobicContact CG-CG1 4.38Å |
| 93 | R | 93.3 | Very high | 87 | Confident | 86 Ų | 86 | 57.4 Ų | 57.4 | 33% | 0.325 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 156 | 171.9 | -64.2 | -174.5 | 176.5 | -129.3 | 0.9 | 108.8 | I60 F61 E107 S110 | I60-R93 WeakPolarHBondContact CA-O 3.42Å; F61-R93 PolarHBondContact N-O 2.86Å; F61-R93 PolarHBondContact O-N 2.84Å; R93-E107 WeakPolarHBondContact CD-OE2 3.36Å; R93-E107 IonicContact CZ-OE2 3.45Å; R93-E107 IonicContact NE-OE2 3.49Å; R93-E107 IonicContact NH1-OE2 2.73Å; R93-E107 PolarHBondContact NH1-OE2 2.71Å; R93-S110 PolarHBondContact NE-OG 3.33Å; R93-S110 VanDerWaalsContact NE-OG 3.17Å; R93-S110 PolarHBondContact NH2-OG 2.82Å |
| 94 | C | 91.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 158.3 | 169.9 | 67.4 | 0 | 0 | 0 | 0 | 113.3 | F29 C49 T59 I60 S108 | F29-C94 VanDerWaalsContact CE2-O 3.29Å; F29-C94 WeakPolarHBondContact CE2-O 3.23Å; F29-C94 WeakPolarHBondContact CZ-O 3.18Å; C49-C94 HydrophobicContact CB-CB 4.29Å; C49-C94 WeakPolarHBondContact CB-SG 3.5Å; C49-C94 WeakPolarHBondContact SG-CB 3.43Å; C49-C94 CovalentContact SG-SG 2.03Å; C49-C94 PolarHBondContact SG-SG 3.03Å; T59-C94 CarbonylContact O-C 3.56Å; T59-C94 WeakPolarHBondContact O-CA 3.34Å; T59-C94 VanDerWaalsContact O-CB 3.32Å; T59-C94 WeakPolarHBondContact O-CB 3.29Å; I60-C94 HydrophobicContact CB-CB 4.45Å; I60-C94 HydrophobicContact CG1-CB 3.88Å; C94-S108 PolarHBondContact N-OG 3.35Å; C94-S108 PolarHBondContact O-N 3.3Å |
| 95 | V | 89.8 | Confident | 85.8 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 156 | 177.1 | -63.1 | 0 | 0 | 0 | 0 | 108.4 | T59 F61 W104 E107 | T59-V95 PolarHBondContact N-O 2.94Å; T59-V95 PolarHBondContact O-N 3.03Å; F61-V95 HydrophobicContact CD2-CG2 4.38Å; F61-V95 HydrophobicContact CE2-CG1 4.42Å; F61-V95 HydrophobicContact CE2-CG2 3.55Å; F61-V95 HydrophobicContact CZ-CG2 4.35Å; V95-W104 HydrophobicContact CB-CE3 4.08Å; V95-W104 HydrophobicContact CB-CZ3 4.46Å; V95-W104 HydrophobicContact CG2-CE3 3.51Å; V95-W104 HydrophobicContact CG2-CZ3 3.42Å; V95-W104 VanDerWaalsContact CG2-CZ3 3.42Å; V95-E107 HydrophobicContact CG1-CB 4.44Å; V95-E107 HydrophobicContact CG1-CG 3.84Å |
| 96 | G | 88 | Confident | 85.4 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 151.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | I57 S105 | I57-G96 CarbonylContact O-C 3.58Å; I57-G96 VanDerWaalsContact O-CA 3.27Å; I57-G96 WeakPolarHBondContact O-CA 3.47Å; G96-S105 PolarHBondContact N-OG 3.48Å; G96-S105 PolarHBondContact O-N 2.77Å; G96-S105 PolarHBondContact O-OG 2.7Å |
| 97 | I | 84.7 | Confident | 85.1 | Confident | 32 Ų | 32 | 63 Ų | 63 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.1 | 171.8 | -56.2 | 178.2 | 0 | 0 | 0 | 109.4 | V56 I57 W104 | V56-I97 PolarHBondContact N-O 2.87Å; I57-I97 HydrophobicContact CB-CB 4.24Å; I57-I97 HydrophobicContact CB-CD1 4.21Å; I57-I97 HydrophobicContact CB-CG1 4.39Å; I57-I97 HydrophobicContact CD1-CD1 4.43Å; I57-I97 HydrophobicContact CG2-CD1 4.35Å; I57-I97 PolarHBondContact O-N 2.83Å; I97-W104 HydrophobicContact CD1-CD2 4.34Å; I97-W104 HydrophobicContact CD1-CE3 4.27Å; I97-W104 HydrophobicContact CD1-CH2 3.75Å; I97-W104 HydrophobicContact CD1-CZ2 3.79Å; I97-W104 HydrophobicContact CD1-CZ3 3.98Å; I97-W104 HydrophobicContact CG1-CD2 3.97Å; I97-W104 HydrophobicContact CG1-CE3 3.77Å; I97-W104 HydrophobicContact CG1-CH2 4.16Å; I97-W104 HydrophobicContact CG1-CZ2 4.32Å; I97-W104 HydrophobicContact CG1-CZ3 3.86Å |
| 98 | Y | 80.4 | Confident | 85 | Confident | 71 Ų | 71 | 56.8 Ų | 56.8 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 135.8 | 178.6 | -66.1 | -75.1 | 0 | 0 | 0 | 112.2 | L53 F55 H100 A101 S102 K103 | L53-Y98 HydrophobicContact CB-CE1 4.42Å; L53-Y98 HydrophobicContact CD1-CE1 3.98Å; F55-Y98 HydrophobicContact CD1-CD1 4.02Å; F55-Y98 HydrophobicContact CD1-CE1 4.09Å; F55-Y98 HydrophobicContact CD1-CG 4.4Å; F55-Y98 AromaticContact CE1-CD1 3.7Å; F55-Y98 HydrophobicContact CE1-CD1 3.7Å; F55-Y98 HydrophobicContact CE1-CD2 4.33Å; F55-Y98 AromaticContact CE1-CE1 3.32Å; F55-Y98 HydrophobicContact CE1-CE1 3.32Å; F55-Y98 AromaticContact CE1-CE2 3.99Å; F55-Y98 HydrophobicContact CE1-CE2 3.99Å; F55-Y98 HydrophobicContact CE1-CG 4.18Å; F55-Y98 AromaticContact CE1-CZ 3.47Å; F55-Y98 VanDerWaalsContact CE1-CZ 3.47Å; F55-Y98 AromaticContact CZ-CE1 3.87Å; F55-Y98 HydrophobicContact CZ-CE1 3.87Å; F55-Y98 AromaticContact CZ-CZ 3.97Å; Y98-H100 PolarHBondContact O-N 3.31Å; Y98-H100 VanDerWaalsContact O-N 3.1Å; Y98-A101 PolarHBondContact O-N 2.81Å; Y98-S102 PolarHBondContact O-N 2.86Å; Y98-K103 HydrophobicContact CD2-CB 4.23Å; Y98-K103 WeakPolarHBondContact CD2-O 3.39Å; Y98-K103 PolarHBondContact N-O 3.27Å; Y98-K103 VanDerWaalsContact N-O 3.16Å |
| 99 | K | 67.7 | Low | 84.9 | Confident | 145 Ų | 145 | 58.7 Ų | 58.7 | 63% | 0.63 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -33.2 | 179.5 | -169.5 | 163.7 | -175.5 | -178 | 0 | 114.6 | V56 | V56-K99 HydrophobicContact CG2-CB 3.25Å; V56-K99 HydrophobicContact CG2-CD 3.93Å; V56-K99 HydrophobicContact CG2-CG 3.47Å; V56-K99 VanDerWaalsContact CG2-CG 3.47Å |
| 100 | H | 66.8 | Low | 84.8 | Confident | 174 Ų | 174 | 61 Ų | 61 | 81% | 0.806 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -0.7 | -166.2 | -60.4 | -68.4 | 0 | 0 | 0 | 114.2 | Y98 | Y98-H100 PolarHBondContact O-N 3.31Å; Y98-H100 VanDerWaalsContact O-N 3.1Å |
| 101 | A | 69.1 | Low | 84.8 | Confident | 64 Ų | 64 | 62 Ų | 62 | 53% | 0.529 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.8 | -5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y98 K103 | Y98-A101 PolarHBondContact O-N 2.81Å; A101-K103 HydrophobicContact CB-CB 4.01Å; A101-K103 PolarHBondContact O-N 3.02Å |
| 102 | S | 72 | Confident | 84.8 | Confident | 110 Ų | 110 | 66.9 Ų | 66.9 | 77% | 0.769 | 34% | 0.336 | S | S | * | . | trans | 43.7 | 31.4 | -172.5 | -59.9 | 0 | 0 | 0 | 0 | 112.9 | Y98 | Y98-S102 PolarHBondContact O-N 2.86Š| ||
| 103 | K | 82.1 | Confident | 84.8 | Confident | 141 Ų | 141 | 66.9 Ų | 66.9 | 61% | 0.613 | 34% | 0.336 | S | S | * | . | trans | -107.3 | 139.1 | -175.6 | -174.6 | 179.9 | 178.6 | -179.2 | 0 | 107.9 | Y98 A101 | Y98-K103 HydrophobicContact CD2-CB 4.23Å; Y98-K103 WeakPolarHBondContact CD2-O 3.39Å; Y98-K103 PolarHBondContact N-O 3.27Å; Y98-K103 VanDerWaalsContact N-O 3.16Å; A101-K103 HydrophobicContact CB-CB 4.01Å; A101-K103 PolarHBondContact O-N 3.02Å | ||
| 104 | W | 82.9 | Confident | 84.9 | Confident | 134 Ų | 134 | 63.9 Ų | 63.9 | 51% | 0.508 | 33% | 0.326 | S | S | . | . | B | Isolated β-bridge | trans | -74.7 | 143.3 | 173.3 | -63.4 | 88.4 | 0 | 0 | 0 | 110.6 | V95 I97 | V95-W104 HydrophobicContact CB-CE3 4.08Å; V95-W104 HydrophobicContact CB-CZ3 4.46Å; V95-W104 HydrophobicContact CG2-CE3 3.51Å; V95-W104 HydrophobicContact CG2-CZ3 3.42Å; V95-W104 VanDerWaalsContact CG2-CZ3 3.42Å; I97-W104 HydrophobicContact CD1-CD2 4.34Å; I97-W104 HydrophobicContact CD1-CE3 4.27Å; I97-W104 HydrophobicContact CD1-CH2 3.75Å; I97-W104 HydrophobicContact CD1-CZ2 3.79Å; I97-W104 HydrophobicContact CD1-CZ3 3.98Å; I97-W104 HydrophobicContact CG1-CD2 3.97Å; I97-W104 HydrophobicContact CG1-CE3 3.77Å; I97-W104 HydrophobicContact CG1-CH2 4.16Å; I97-W104 HydrophobicContact CG1-CZ2 4.32Å; I97-W104 HydrophobicContact CG1-CZ3 3.86Å |
| 105 | S | 85.4 | Confident | 85.1 | Confident | 15 Ų | 15 | 63.9 Ų | 63.9 | 11% | 0.105 | 33% | 0.326 | C | S | . | . | trans | -66.5 | 171.6 | 165.5 | 67.7 | 0 | 0 | 0 | 0 | 110.8 | F29 G96 | F29-S105 WeakPolarHBondContact CZ-OG 3.22Å; G96-S105 PolarHBondContact N-OG 3.48Å; G96-S105 PolarHBondContact O-N 2.77Å; G96-S105 PolarHBondContact O-OG 2.7Å | ||
| 106 | A | 86.3 | Confident | 85.3 | Confident | 38 Ų | 38 | 64.1 Ų | 64.1 | 31% | 0.314 | 33% | 0.328 | S | S | . | . | trans | -59.8 | 174.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F29 | F29-A106 WeakPolarHBondContact CE1-O 3.45Å; F29-A106 WeakPolarHBondContact CZ-O 3.33Å | ||
| 107 | E | 87.6 | Confident | 85.7 | Confident | 111 Ų | 111 | 65.9 Ų | 65.9 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | trans | -83.2 | 151 | 171.1 | -65.9 | -179.2 | 179.2 | 0 | 0 | 111.7 | F29 R93 V95 | F29-E107 VanDerWaalsContact CZ-C 3.49Å; R93-E107 WeakPolarHBondContact CD-OE2 3.36Å; R93-E107 IonicContact CZ-OE2 3.45Å; R93-E107 IonicContact NE-OE2 3.49Å; R93-E107 IonicContact NH1-OE2 2.73Å; R93-E107 PolarHBondContact NH1-OE2 2.71Å; V95-E107 HydrophobicContact CG1-CB 4.44Å; V95-E107 HydrophobicContact CG1-CG 3.84Å | ||
| 108 | S | 90.6 | Very high | 86.2 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 4% | 0.035 | 35% | 0.349 | C | S | . | . | trans | -66.2 | 176.7 | 171.1 | 71.7 | 0 | 0 | 0 | 0 | 112.2 | F29 C94 | F29-S108 VanDerWaalsContact CZ-N 3.27Å; C94-S108 PolarHBondContact N-OG 3.35Å; C94-S108 PolarHBondContact O-N 3.3Å | ||
| 109 | N | 91.1 | Very high | 86.9 | Confident | 71 Ų | 71 | 65.8 Ų | 65.8 | 38% | 0.38 | 35% | 0.348 | S | S | . | . | trans | -56.8 | 148.8 | 161.1 | 65.2 | -81.3 | 0 | 0 | 0 | 111.2 | S30 L31 | S30-N109 WeakPolarHBondContact CA-OD1 3.2Å; S30-N109 VanDerWaalsContact CB-OD1 3.32Å; S30-N109 WeakPolarHBondContact CB-OD1 2.96Å; L31-N109 PolarHBondContact N-OD1 2.93Å; L31-N109 PolarHBondContact O-ND2 2.75Å | ||
| 110 | S | 91.4 | Very high | 88.1 | Confident | 54 Ų | 54 | 63.4 Ų | 63.4 | 38% | 0.378 | 35% | 0.346 | S | S | . | . | trans | -66.2 | 132.3 | 166.3 | -63.1 | 0 | 0 | 0 | 0 | 110.4 | R93 | R93-S110 PolarHBondContact NE-OG 3.33Å; R93-S110 VanDerWaalsContact NE-OG 3.17Å; R93-S110 PolarHBondContact NH2-OG 2.82Å | ||
| 111 | L | 93.2 | Very high | 89.5 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 12% | 0.12 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 120.7 | 171.7 | 178.2 | 64.7 | 0 | 0 | 0 | 109.5 | L31 S32 A33 P37 L47 T91 Y92 I113 | L31-L111 HydrophobicContact CD2-CB 3.89Å; L31-L111 HydrophobicContact CD2-CD2 4.25Å; L31-L111 HydrophobicContact CG-CB 4.03Å; L31-L111 HydrophobicContact CG-CD2 3.8Å; S32-L111 VanDerWaalsContact C-CD2 3.46Å; A33-L111 HydrophobicContact CB-CD2 3.87Å; P37-L111 HydrophobicContact CB-CD1 4.28Å; L47-L111 HydrophobicContact CD2-CD2 4.02Å; T91-L111 CarbonylContact C-O 3.53Å; T91-L111 WeakPolarHBondContact CA-O 3.44Å; Y92-L111 PolarHBondContact N-O 3.46Å; Y92-L111 PolarHBondContact O-N 3.43Å; L111-I113 HydrophobicContact CD2-CD1 4.21Å; L111-I113 HydrophobicContact CG-CD1 4.23Å |
| 112 | K | 93.4 | Very high | 90.7 | Very high | 121 Ų | 121 | 56.9 Ų | 56.9 | 53% | 0.526 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122.9 | 178.2 | -65.1 | 171.7 | 173.5 | -178.5 | 0 | 109.3 | P37 G90 Y204 | P37-K112 WeakPolarHBondContact CB-O 2.9Å; G90-K112 CarbonylContact O-C 3.5Å; G90-K112 WeakPolarHBondContact O-CA 3.48Å; K112-Y204 HydrophobicContact CB-CD1 4.34Å; K112-Y204 HydrophobicContact CB-CE1 4.01Å; K112-Y204 HydrophobicContact CD-CE1 3.89Å; K112-Y204 HydrophobicContact CG-CE1 3.77Å |
| 113 | I | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.2 | 170.3 | -58.5 | -59.4 | 0 | 0 | 0 | 108.3 | A33 P37 V39 L47 G90 Y92 L111 | A33-I113 HydrophobicContact CB-CD1 3.83Å; P37-I113 HydrophobicContact CB-CD1 4.14Å; P37-I113 WeakPolarHBondContact O-CA 3.22Å; V39-I113 HydrophobicContact CG2-CG2 4.47Å; L47-I113 HydrophobicContact CD2-CD1 3.67Å; L47-I113 HydrophobicContact CD2-CG1 4.14Å; G90-I113 PolarHBondContact N-O 2.83Å; G90-I113 VanDerWaalsContact N-O 3.08Å; G90-I113 PolarHBondContact O-N 2.86Å; Y92-I113 HydrophobicContact CD2-CB 4.05Å; Y92-I113 HydrophobicContact CD2-CG1 3.48Å; Y92-I113 VanDerWaalsContact CD2-CG1 3.48Å; Y92-I113 HydrophobicContact CE2-CB 3.71Å; Y92-I113 HydrophobicContact CE2-CG1 3.51Å; Y92-I113 HydrophobicContact CG-CG1 4.38Å; L111-I113 HydrophobicContact CD2-CD1 4.21Å; L111-I113 HydrophobicContact CG-CD1 4.23Å |
| 114 | I | 93.8 | Very high | 92.4 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 12% | 0.118 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.3 | -177.6 | -66.1 | 153.5 | 0 | 0 | 0 | 107.8 | P37 V38 V39 T116 Y204 W206 | P37-I114 PolarHBondContact O-N 3.48Å; V38-I114 HydrophobicContact CG1-CB 4.46Å; V38-I114 HydrophobicContact CG1-CG2 4.21Å; V38-I114 HydrophobicContact CG2-CB 4.27Å; V38-I114 HydrophobicContact CG2-CD1 3.96Å; V39-I114 PolarHBondContact N-O 2.89Å; I114-T116 HydrophobicContact CG2-CG2 4.29Å; I114-Y204 CarbonylContact C-O 3.6Å; I114-Y204 WeakPolarHBondContact CA-O 3.24Å; I114-W206 HydrophobicContact CD1-CH2 3.82Å; I114-W206 HydrophobicContact CD1-CZ2 3.6Å; I114-W206 HydrophobicContact CG1-CZ2 4.2Å; I114-W206 HydrophobicContact CG2-CB 4.26Å; I114-W206 HydrophobicContact CG2-CD2 3.32Å; I114-W206 VanDerWaalsContact CG2-CE2 3.48Å; I114-W206 HydrophobicContact CG2-CE3 3.72Å; I114-W206 HydrophobicContact CG2-CG 3.58Å; I114-W206 HydrophobicContact CG2-CH2 4.32Å; I114-W206 HydrophobicContact CG2-CZ2 4Å; I114-W206 HydrophobicContact CG2-CZ3 4.2Å |
| 115 | V | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 120.8 | 177.3 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | V39 L41 V84 A89 L118 Y204 W206 | V39-V115 CarbonylContact O-C 3.59Å; V39-V115 VanDerWaalsContact O-CA 3.31Å; V39-V115 WeakPolarHBondContact O-CA 3.43Å; L41-V115 HydrophobicContact CD1-CG1 4.44Å; V84-V115 HydrophobicContact CG1-CB 4.49Å; V84-V115 HydrophobicContact CG1-CG1 4.05Å; V84-V115 HydrophobicContact CG1-CG2 3.67Å; A89-V115 HydrophobicContact CB-CB 4.29Å; A89-V115 HydrophobicContact CB-CG2 3.76Å; V115-L118 HydrophobicContact CB-CD1 4.26Å; V115-L118 HydrophobicContact CG1-CD1 4.13Å; V115-L118 HydrophobicContact CG1-CD2 4.27Å; V115-L118 HydrophobicContact CG1-CG 4.25Å; V115-Y204 PolarHBondContact N-O 3.19Å; V115-W206 PolarHBondContact O-N 2.87Å |
| 116 | T | 95.6 | Very high | 93 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 9% | 0.092 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 160.3 | -179.5 | 62.1 | 0 | 0 | 0 | 0 | 111.9 | V38 V39 P40 L41 I114 W206 | V38-T116 HydrophobicContact CG1-CG2 3.44Å; V38-T116 VanDerWaalsContact CG1-CG2 3.44Å; V39-T116 PolarHBondContact O-N 2.85Å; P40-T116 WeakPolarHBondContact CA-OG1 3.39Å; L41-T116 PolarHBondContact N-O 2.93Å; I114-T116 HydrophobicContact CG2-CG2 4.29Å; T116-W206 HydrophobicContact CG2-CB 4.07Å; T116-W206 HydrophobicContact CG2-CE3 4.16Å |
| 117 | G | 94.9 | Very high | 93.1 | Very high | 37 Ų | 37 | 48.1 Ų | 48.1 | 38% | 0.381 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 87.4 | 16.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | W206 S207 | G117-W206 PolarHBondContact N-O 3.25Å; G117-S207 PolarHBondContact N-O 3.31Å |
| 118 | L | 95.3 | Very high | 93.1 | Very high | 44 Ų | 44 | 47.7 Ų | 47.7 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -28.8 | 179.5 | -62 | 177.4 | 0 | 0 | 0 | 113 | L41 P86 V115 E205 W206 | L41-L118 HydrophobicContact CB-CD2 4.42Å; L41-L118 HydrophobicContact CD1-CD2 3.87Å; L41-L118 HydrophobicContact CD2-CD2 4.14Å; L41-L118 HydrophobicContact CG-CD2 4.36Å; P86-L118 HydrophobicContact CB-CD1 4.22Å; P86-L118 HydrophobicContact CB-CD2 4.36Å; P86-L118 HydrophobicContact CG-CD1 4.45Å; P86-L118 HydrophobicContact CG-CD2 3.71Å; V115-L118 HydrophobicContact CB-CD1 4.26Å; V115-L118 HydrophobicContact CG1-CD1 4.13Å; V115-L118 HydrophobicContact CG1-CD2 4.27Å; V115-L118 HydrophobicContact CG1-CG 4.25Å; L118-E205 HydrophobicContact CD1-CB 3.49Å; L118-E205 VanDerWaalsContact CD1-CB 3.49Å; L118-E205 HydrophobicContact CD1-CG 3.59Å; L118-W206 PolarHBondContact N-O 2.87Å |
| 119 | F | 94.8 | Very high | 92.6 | Very high | 56 Ų | 56 | 49.9 Ų | 49.9 | 25% | 0.246 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 163.4 | 179.1 | -48.9 | -71.2 | 0 | 0 | 0 | 111.3 | L146 F148 F199 E205 A208 | F119-L146 HydrophobicContact CB-CD1 3.97Å; F119-F148 HydrophobicContact CB-CE1 3.98Å; F119-F148 HydrophobicContact CB-CZ 3.75Å; F119-F148 AromaticContact CD2-CE1 4Å; F119-F148 HydrophobicContact CD2-CE1 4Å; F119-F148 HydrophobicContact CG-CE1 4.03Å; F119-F148 HydrophobicContact CG-CZ 4.32Å; F119-F199 HydrophobicContact CD1-CE2 4.22Å; F119-F199 HydrophobicContact CE1-CD2 4.41Å; F119-F199 AromaticContact CE1-CE2 3.96Å; F119-F199 HydrophobicContact CE1-CE2 3.96Å; F119-F199 HydrophobicContact CE2-CD2 4.19Å; F119-F199 HydrophobicContact CE2-CE2 4.29Å; F119-F199 HydrophobicContact CG-CE2 4.5Å; F119-F199 HydrophobicContact CZ-CD2 4.01Å; F119-F199 HydrophobicContact CZ-CE2 4.01Å; F119-E205 HydrophobicContact CE2-CB 4.34Å; F119-A208 PolarHBondContact O-N 2.72Å |
| 120 | T | 94.3 | Very high | 91.9 | Very high | 96 Ų | 96 | 48.9 Ų | 48.9 | 59% | 0.589 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 142.8 | 176.5 | 49.6 | 0 | 0 | 0 | 0 | 111.1 | L146 S207 | T120-L146 WeakPolarHBondContact OG1-CD1 3.22Å; T120-S207 WeakPolarHBondContact O-CB 3.41Å |
| 121 | K | 95.3 | Very high | 91.3 | Very high | 98 Ų | 98 | 49.5 Ų | 49.5 | 43% | 0.426 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 139.7 | -177.1 | 69.3 | -177.9 | -169.5 | 177.9 | 0 | 111.1 | A208 P209 D211 | K121-A208 WeakPolarHBondContact CA-O 3.41Å; K121-A208 HydrophobicContact CB-CB 3.84Å; K121-A208 WeakPolarHBondContact CB-O 3.44Å; K121-P209 WeakPolarHBondContact CB-O 3.35Å; K121-D211 IonicContact NZ-OD1 3.06Å; K121-D211 PolarHBondContact NZ-OD1 2.87Å; K121-D211 IonicContact NZ-OD2 2.7Å; K121-D211 PolarHBondContact NZ-OD2 3.1Å |
| 122 | P | 95.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 169.4 | 169.4 | 33.5 | -35.5 | 0 | 0 | 0 | 111 | H143 F151 S207 A208 S210 | P122-H143 WeakPolarHBondContact CA-O 3.33Å; P122-H143 WeakPolarHBondContact CB-O 3.28Å; P122-F151 HydrophobicContact CB-CE1 3.92Å; P122-F151 HydrophobicContact CG-CE1 4.48Å; P122-S207 WeakPolarHBondContact CD-OG 3.45Å; P122-A208 WeakPolarHBondContact CD-O 3.47Å; P122-S210 WeakPolarHBondContact O-CA 3.49Å; P122-S210 WeakPolarHBondContact O-CB 3.37Å |
| 123 | S | 95 | Very high | 89.6 | Confident | 65 Ų | 65 | 48.2 Ų | 48.2 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 145.8 | 172.7 | -68.2 | 0 | 0 | 0 | 0 | 110.6 | C142 H143 | S123-C142 CarbonylContact O-C 3.52Å; S123-C142 VanDerWaalsContact O-CA 3.3Å; S123-C142 WeakPolarHBondContact O-CA 3.43Å; S123-H143 WeakPolarHBondContact CB-NE2 3.46Å; S123-H143 PolarHBondContact N-O 3.05Å; S123-H143 PolarHBondContact O-N 3.37Å |
| 124 | I | 94.5 | Very high | 88.9 | Confident | 28 Ų | 28 | 49.5 Ų | 49.5 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142.3 | -179.8 | -168.3 | 174.6 | 0 | 0 | 0 | 111 | R141 L153 C195 S210 D211 L213 | I124-R141 CarbonylContact C-O 3.56Å; I124-R141 VanDerWaalsContact CA-O 3.3Å; I124-R141 WeakPolarHBondContact CA-O 3.37Å; I124-L153 HydrophobicContact CD1-CD1 3.64Å; I124-C195 HydrophobicContact CD1-CB 4.32Å; I124-S210 WeakPolarHBondContact CG2-OG 3.35Å; I124-D211 WeakPolarHBondContact CG2-O 3.18Å; I124-L213 HydrophobicContact CD1-CB 4.17Å; I124-L213 HydrophobicContact CD1-CD2 4.17Å; I124-L213 HydrophobicContact CG1-CB 4.32Å; I124-L213 HydrophobicContact CG1-CD2 3.84Å; I124-L213 HydrophobicContact CG2-CB 3.85Å |
| 125 | S | 91.4 | Very high | 88.3 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 32% | 0.315 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 163.8 | 177.1 | 66.5 | 0 | 0 | 0 | 0 | 112.2 | L140 R141 | S125-L140 CarbonylContact O-C 3.55Å; S125-L140 WeakPolarHBondContact O-CA 3.39Å; S125-R141 PolarHBondContact N-O 2.96Å; S125-R141 PolarHBondContact O-N 3.18Å |
| 126 | A | 90.1 | Very high | 87.7 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 17% | 0.174 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V138 S139 L140 L213 I215 | A126-V138 HydrophobicContact CB-CG2 4.16Å; A126-S139 CarbonylContact C-O 3.49Å; A126-S139 WeakPolarHBondContact CA-O 3.47Å; A126-L140 HydrophobicContact CB-CD2 3.8Å; A126-L213 HydrophobicContact CB-CD2 3.98Å; A126-I215 HydrophobicContact CB-CD1 3.99Å |
| 127 | H | 87 | Confident | 87.4 | Confident | 96 Ų | 96 | 59 Ų | 59 | 44% | 0.444 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.9 | 175.2 | -175 | 78.9 | 0 | 0 | 0 | 110.7 | V138 S139 | H127-V138 WeakPolarHBondContact O-CG2 3.01Å; H127-S139 PolarHBondContact N-O 2.93Å; H127-S139 PolarHBondContact O-N 2.98Å |
| 128 | P | 87.2 | Confident | 87.1 | Confident | 101 Ų | 101 | 57.3 Ų | 57.3 | 66% | 0.656 | 33% | 0.331 | S | S | * | . | S | Bend | cis | -77.2 | -23.2 | 2.5 | 30.6 | -35.4 | 0 | 0 | 0 | 114.2 | ||
| 129 | S | 81.1 | Confident | 86.9 | Confident | 52 Ų | 52 | 56.5 Ų | 56.5 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | trans | -158.7 | 164.9 | 174.1 | 85.1 | 0 | 0 | 0 | 0 | 111.3 | L131 V138 | S129-L131 VanDerWaalsContact C-N 3.28Å; S129-L131 PolarHBondContact OG-N 2.88Å; S129-L131 PolarHBondContact OG-O 2.83Å; S129-V138 WeakPolarHBondContact O-CG2 3.3Å | ||
| 130 | S | 76.9 | Confident | 86.8 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -76.8 | -11.6 | 173.6 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | D214 V216 | S130-D214 WeakPolarHBondContact CB-O 3.37Å; S130-V216 PolarHBondContact O-N 2.81Å |
| 131 | L | 77.8 | Confident | 86.8 | Confident | 66 Ų | 66 | 53 Ų | 53 | 35% | 0.346 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 103.6 | 174.2 | -173.9 | 69.3 | 0 | 0 | 0 | 109.3 | S129 V216 T218 | S129-L131 VanDerWaalsContact C-N 3.28Å; S129-L131 PolarHBondContact OG-N 2.88Å; S129-L131 PolarHBondContact OG-O 2.83Å; L131-V216 HydrophobicContact CD1-CB 3.88Å; L131-V216 HydrophobicContact CD1-CG1 3.74Å; L131-T218 HydrophobicContact CD1-CG2 3.42Å; L131-T218 VanDerWaalsContact CD1-CG2 3.42Å; L131-T218 HydrophobicContact CG-CG2 4.04Å |
| 132 | V | 76.9 | Confident | 86.6 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 5% | 0.048 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 134.4 | -167.9 | -163.4 | 0 | 0 | 0 | 0 | 110.4 | A136 V138 V185 I215 V216 I217 T218 | V132-A136 HydrophobicContact CG1-CB 3.99Å; V132-V138 HydrophobicContact CG1-CB 4.14Å; V132-V138 HydrophobicContact CG2-CB 3.74Å; V132-V138 HydrophobicContact CG2-CG1 4.06Å; V132-V138 HydrophobicContact CG2-CG2 3.81Å; V132-V185 HydrophobicContact CB-CG2 4.13Å; V132-V185 HydrophobicContact CG1-CG1 4.31Å; V132-V185 HydrophobicContact CG1-CG2 3.54Å; V132-I215 HydrophobicContact CG2-CG2 4.33Å; V132-V216 PolarHBondContact N-O 2.96Å; V132-I217 HydrophobicContact CB-CD1 3.96Å; V132-I217 CarbonylContact O-C 3.57Å; V132-I217 VanDerWaalsContact O-CA 3.28Å; V132-I217 WeakPolarHBondContact O-CA 3.37Å; V132-T218 PolarHBondContact O-N 2.96Å; V132-T218 PolarHBondContact O-OG1 2.81Å |
| 133 | H | 74.9 | Confident | 86.4 | Confident | 110 Ų | 110 | 51.4 Ų | 51.4 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 141.2 | 174.1 | -166.6 | -80.8 | 0 | 0 | 0 | 110.4 | G135 A136 V185 T218 G219 | H133-G135 PolarHBondContact O-N 3.38Å; H133-A136 HydrophobicContact CB-CB 4.46Å; H133-A136 WeakPolarHBondContact O-CB 3.43Å; H133-A136 PolarHBondContact O-N 2.67Å; H133-V185 WeakPolarHBondContact O-CG2 3.34Å; H133-T218 CarbonylContact C-O 3.56Å; H133-G219 WeakPolarHBondContact NE2-CA 3.14Å |
| 134 | A | 79.8 | Confident | 86.2 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 134.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | A136 I217 T218 | A134-A136 VanDerWaalsContact C-N 3.3Å; A134-A136 PolarHBondContact O-N 2.97Å; A134-I217 HydrophobicContact CB-CG2 4.14Å; A134-T218 WeakPolarHBondContact CB-O 3.31Å; A134-T218 PolarHBondContact N-O 2.84Å |
| 135 | G | 79.9 | Confident | 86 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 55% | 0.546 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -12 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | H133 V185 | H133-G135 PolarHBondContact O-N 3.38Å; G135-V185 PolarHBondContact N-O 2.03Å |
| 136 | A | 84.8 | Confident | 85.8 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | trans | -80.2 | 174.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V132 H133 A134 P184 V185 | V132-A136 HydrophobicContact CG1-CB 3.99Å; H133-A136 HydrophobicContact CB-CB 4.46Å; H133-A136 WeakPolarHBondContact O-CB 3.43Å; H133-A136 PolarHBondContact O-N 2.67Å; A134-A136 VanDerWaalsContact C-N 3.3Å; A134-A136 PolarHBondContact O-N 2.97Å; A136-P184 CarbonylContact O-C 3.52Å; A136-P184 WeakPolarHBondContact O-CA 3.38Å; A136-V185 WeakPolarHBondContact O-CG2 3.31Å; A136-V185 PolarHBondContact O-N 2.89Å | ||
| 137 | R | 89.3 | Confident | 85.7 | Confident | 146 Ų | 146 | 58.7 Ų | 58.7 | 55% | 0.551 | 33% | 0.328 | S | S | * | . | trans | -110.6 | 145.8 | 173.7 | -61.4 | 178.3 | 66.9 | 75.7 | 1.2 | 109.7 | M182 G183 | R137-M182 WeakPolarHBondContact CA-O 3.38Å; R137-G183 PolarHBondContact NH1-O 3.05Å | ||
| 138 | V | 88.1 | Confident | 85.8 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 146.6 | 173.1 | 65.7 | 0 | 0 | 0 | 0 | 108.6 | A126 H127 S129 V132 L140 M182 V185 | A126-V138 HydrophobicContact CB-CG2 4.16Å; H127-V138 WeakPolarHBondContact O-CG2 3.01Å; S129-V138 WeakPolarHBondContact O-CG2 3.3Å; V132-V138 HydrophobicContact CG1-CB 4.14Å; V132-V138 HydrophobicContact CG2-CB 3.74Å; V132-V138 HydrophobicContact CG2-CG1 4.06Å; V132-V138 HydrophobicContact CG2-CG2 3.81Å; V138-L140 HydrophobicContact CG2-CD2 4.41Å; V138-M182 HydrophobicContact CG1-CB 3.92Å; V138-M182 HydrophobicContact CG1-CG 4.41Å; V138-M182 HydrophobicContact CG1-SD 4.19Å; V138-M182 PolarHBondContact N-O 2.78Å; V138-M182 WeakPolarHBondContact O-CA 3.43Å; V138-M182 PolarHBondContact O-N 3.27Å; V138-M182 VanDerWaalsContact O-O 3.05Å; V138-V185 HydrophobicContact CG1-CG1 3.94Å |
| 139 | S | 91.5 | Very high | 85.7 | Confident | 27 Ų | 27 | 52.9 Ų | 52.9 | 19% | 0.189 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127.8 | 173.1 | -57.2 | 0 | 0 | 0 | 0 | 109.4 | A126 H127 F180 | A126-S139 CarbonylContact C-O 3.49Å; A126-S139 WeakPolarHBondContact CA-O 3.47Å; H127-S139 PolarHBondContact N-O 2.93Å; H127-S139 PolarHBondContact O-N 2.98Å; S139-F180 CarbonylContact C-O 3.24Å; S139-F180 WeakPolarHBondContact CA-O 3.28Å |
| 140 | L | 92.8 | Very high | 86 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 124.9 | 171.5 | -54.5 | -172.4 | 0 | 0 | 0 | 108.3 | S125 A126 V138 L153 F180 M182 Y193 L213 I215 | S125-L140 CarbonylContact O-C 3.55Å; S125-L140 WeakPolarHBondContact O-CA 3.39Å; A126-L140 HydrophobicContact CB-CD2 3.8Å; V138-L140 HydrophobicContact CG2-CD2 4.41Å; L140-L153 HydrophobicContact CB-CD2 4.21Å; L140-L153 HydrophobicContact CD1-CD1 4.14Å; L140-L153 HydrophobicContact CD1-CD2 3.81Å; L140-L153 HydrophobicContact CG-CD2 4.49Å; L140-F180 HydrophobicContact CB-CB 4.38Å; L140-F180 PolarHBondContact N-O 2.81Å; L140-F180 WeakPolarHBondContact O-CD2 3.46Å; L140-F180 PolarHBondContact O-N 2.86Å; L140-M182 HydrophobicContact CD1-CE 3.59Å; L140-M182 HydrophobicContact CG-CE 4.25Å; L140-Y193 HydrophobicContact CD1-CD1 3.82Å; L140-Y193 HydrophobicContact CD1-CD2 4.28Å; L140-Y193 HydrophobicContact CD1-CE1 4.35Å; L140-Y193 HydrophobicContact CD1-CG 3.79Å; L140-L213 HydrophobicContact CD2-CD2 3.96Å; L140-I215 HydrophobicContact CD1-CG1 4.45Å; L140-I215 HydrophobicContact CD2-CD1 3.54Å; L140-I215 HydrophobicContact CD2-CG1 4.12Å |
| 141 | R | 92.4 | Very high | 86.7 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 126 | -178 | -53.5 | -171.4 | -176.4 | -168.9 | -0.6 | 109.7 | I124 S125 E177 A178 V179 | I124-R141 CarbonylContact C-O 3.56Å; I124-R141 VanDerWaalsContact CA-O 3.3Å; I124-R141 WeakPolarHBondContact CA-O 3.37Å; S125-R141 PolarHBondContact N-O 2.96Å; S125-R141 PolarHBondContact O-N 3.18Å; R141-E177 HydrophobicContact CB-CG 4.31Å; R141-E177 VanDerWaalsContact CB-OE1 3.24Å; R141-E177 WeakPolarHBondContact CB-OE1 3.19Å; R141-E177 VanDerWaalsContact CD-OE1 3.24Å; R141-E177 WeakPolarHBondContact CD-OE1 3.36Å; R141-E177 IonicContact NH1-OE2 2.71Å; R141-A178 WeakPolarHBondContact CA-O 3.21Å; R141-V179 HydrophobicContact CG-CG1 4.33Å; R141-V179 HydrophobicContact CG-CG2 4.17Å |
| 142 | C | 92.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.6 | 173.8 | -172.3 | 0 | 0 | 0 | 0 | 108.5 | S123 F151 E177 A178 F180 C195 | S123-C142 CarbonylContact O-C 3.52Å; S123-C142 VanDerWaalsContact O-CA 3.3Å; S123-C142 WeakPolarHBondContact O-CA 3.43Å; C142-F151 HydrophobicContact CB-CD1 4.03Å; C142-F151 HydrophobicContact CB-CE1 4.49Å; C142-F151 HydrophobicContact CB-CG 4.44Å; C142-F151 WeakPolarHBondContact SG-CD1 3.27Å; C142-E177 CarbonylContact O-C 3.57Å; C142-E177 VanDerWaalsContact O-CA 3.31Å; C142-E177 WeakPolarHBondContact O-CA 3.49Å; C142-A178 PolarHBondContact N-O 2.97Å; C142-A178 PolarHBondContact O-N 2.83Å; C142-F180 HydrophobicContact CB-CE2 4.02Å; C142-C195 HydrophobicContact CB-CB 3.65Å; C142-C195 WeakPolarHBondContact CB-SG 3.3Å; C142-C195 WeakPolarHBondContact SG-CB 3.47Å; C142-C195 CovalentContact SG-SG 2.03Å; C142-C195 PolarHBondContact SG-SG 3.47Å |
| 143 | H | 91.1 | Very high | 88.1 | Confident | 66 Ų | 66 | 47.4 Ų | 47.4 | 31% | 0.306 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 156.3 | 179.8 | 63.9 | -93.3 | 0 | 0 | 0 | 112.3 | P122 S123 V176 E177 | P122-H143 WeakPolarHBondContact CA-O 3.33Å; P122-H143 WeakPolarHBondContact CB-O 3.28Å; S123-H143 WeakPolarHBondContact CB-NE2 3.46Å; S123-H143 PolarHBondContact N-O 3.05Å; S123-H143 PolarHBondContact O-N 3.37Å; H143-V176 CarbonylContact C-O 3.5Å; H143-V176 WeakPolarHBondContact CA-O 3.34Å; H143-V176 VanDerWaalsContact CB-O 3.31Å; H143-V176 WeakPolarHBondContact CB-O 3.45Å; H143-E177 HydrophobicContact CB-CB 3.89Å; H143-E177 HydrophobicContact CB-CG 4.05Å |
| 144 | S | 91.2 | Very high | 88.6 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 6% | 0.056 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 148.6 | -178.3 | -174 | 0 | 0 | 0 | 0 | 110.4 | L146 F148 Y175 V176 | S144-L146 VanDerWaalsContact C-N 3.27Å; S144-L146 WeakPolarHBondContact CB-O 3.42Å; S144-L146 WeakPolarHBondContact OG-CB 3.44Å; S144-L146 PolarHBondContact OG-N 3.03Å; S144-L146 VanDerWaalsContact OG-N 3.07Å; S144-L146 PolarHBondContact OG-O 2.85Å; S144-F148 WeakPolarHBondContact OG-CE2 3.36Å; S144-Y175 WeakPolarHBondContact O-CA 3.34Å; S144-V176 PolarHBondContact N-O 2.91Å; S144-V176 PolarHBondContact O-N 2.8Å |
| 145 | E | 89.6 | Confident | 88.9 | Confident | 179 Ų | 179 | 45.3 Ų | 45.3 | 84% | 0.836 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -71.8 | -27.5 | 166.4 | -63.7 | -179.6 | 178.2 | 0 | 0 | 111.1 | A147 | E145-A147 PolarHBondContact O-N 2.89Š|
| 146 | L | 88.1 | Confident | 88.8 | Confident | 62 Ų | 62 | 47.7 Ų | 47.7 | 33% | 0.325 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -73.6 | 125.7 | 169 | -65.2 | -179.8 | 0 | 0 | 0 | 109.3 | F119 T120 S144 F148 V176 | F119-L146 HydrophobicContact CB-CD1 3.97Å; T120-L146 WeakPolarHBondContact OG1-CD1 3.22Å; S144-L146 VanDerWaalsContact C-N 3.27Å; S144-L146 WeakPolarHBondContact CB-O 3.42Å; S144-L146 WeakPolarHBondContact OG-CB 3.44Å; S144-L146 PolarHBondContact OG-N 3.03Å; S144-L146 VanDerWaalsContact OG-N 3.07Å; S144-L146 PolarHBondContact OG-O 2.85Å; L146-F148 HydrophobicContact CB-CD2 4.2Å; L146-F148 HydrophobicContact CB-CE1 4.3Å; L146-F148 HydrophobicContact CB-CE2 3.87Å; L146-F148 HydrophobicContact CB-CZ 3.92Å; L146-F148 HydrophobicContact CD1-CE1 4.2Å; L146-F148 HydrophobicContact CD1-CE2 4.26Å; L146-F148 HydrophobicContact CD1-CZ 3.65Å; L146-F148 HydrophobicContact CG-CZ 4.43Å; L146-F148 PolarHBondContact O-N 3.03Å; L146-V176 WeakPolarHBondContact O-CG2 3.46Å |
| 147 | A | 87.4 | Confident | 87.8 | Confident | 64 Ų | 64 | 49.3 Ų | 49.3 | 53% | 0.529 | 26% | 0.257 | S | S | . | . | trans | -71 | 61.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E145 V176 F199 | E145-A147 PolarHBondContact O-N 2.89Å; A147-V176 HydrophobicContact CB-CG1 4.15Å; A147-F199 VanDerWaalsContact O-CE1 3.29Å; A147-F199 WeakPolarHBondContact O-CE1 3.14Å | ||
| 148 | F | 88.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -59.6 | 138.6 | 172.9 | -66.2 | -57.4 | 0 | 0 | 0 | 110.5 | F119 S144 L146 F151 M169 F199 | F119-F148 HydrophobicContact CB-CE1 3.98Å; F119-F148 HydrophobicContact CB-CZ 3.75Å; F119-F148 AromaticContact CD2-CE1 4Å; F119-F148 HydrophobicContact CD2-CE1 4Å; F119-F148 HydrophobicContact CG-CE1 4.03Å; F119-F148 HydrophobicContact CG-CZ 4.32Å; S144-F148 WeakPolarHBondContact OG-CE2 3.36Å; L146-F148 HydrophobicContact CB-CD2 4.2Å; L146-F148 HydrophobicContact CB-CE1 4.3Å; L146-F148 HydrophobicContact CB-CE2 3.87Å; L146-F148 HydrophobicContact CB-CZ 3.92Å; L146-F148 HydrophobicContact CD1-CE1 4.2Å; L146-F148 HydrophobicContact CD1-CE2 4.26Å; L146-F148 HydrophobicContact CD1-CZ 3.65Å; L146-F148 HydrophobicContact CG-CZ 4.43Å; L146-F148 PolarHBondContact O-N 3.03Å; F148-F151 HydrophobicContact CB-CE2 4.24Å; F148-F151 HydrophobicContact CB-CZ 4.18Å; F148-F151 AromaticContact CD2-CE1 3.93Å; F148-F151 HydrophobicContact CD2-CE1 3.93Å; F148-F151 HydrophobicContact CD2-CZ 4.01Å; F148-M169 WeakPolarHBondContact O-CE 3.48Å; F148-F199 HydrophobicContact CD1-CD1 4.43Å; F148-F199 HydrophobicContact CD1-CD2 4.22Å; F148-F199 HydrophobicContact CD1-CE1 4.13Å; F148-F199 AromaticContact CD1-CE2 3.9Å; F148-F199 HydrophobicContact CD1-CE2 3.9Å; F148-F199 HydrophobicContact CD1-CG 4.48Å; F148-F199 AromaticContact CD1-CZ 3.85Å; F148-F199 HydrophobicContact CD1-CZ 3.85Å; F148-F199 HydrophobicContact CE1-CD2 4.37Å; F148-F199 AromaticContact CE1-CE2 3.8Å; F148-F199 HydrophobicContact CE1-CE2 3.8Å; F148-F199 AromaticContact CE1-CZ 4Å; F148-F199 HydrophobicContact CE1-CZ 4Å | ||
| 149 | D | 86.4 | Confident | 84.3 | Confident | 74 Ų | 74 | 52 Ų | 52 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -76.8 | -29.9 | 176.3 | -63 | -45.5 | 0 | 0 | 0 | 111.3 | C198 S200 | D149-C198 PolarHBondContact N-O 3.13Å; D149-C198 VanDerWaalsContact N-O 3.16Å; D149-S200 VanDerWaalsContact OD2-CB 3.25Å; D149-S200 WeakPolarHBondContact OD2-CB 3.06Å; D149-S200 PolarHBondContact OD2-N 2.9Å; D149-S200 PolarHBondContact OD2-OG 2.84Å |
| 150 | E | 87.7 | Confident | 81.9 | Confident | 31 Ų | 31 | 59 Ų | 59 | 15% | 0.145 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 138.9 | -174.3 | -171.4 | 175.5 | 166.7 | 0 | 0 | 110.8 | I152 Q164 G197 C198 | E150-I152 HydrophobicContact CG-CD1 4.46Å; E150-Q164 HydrophobicContact CG-CG 4.43Å; E150-Q164 VanDerWaalsContact OE1-CG 3.26Å; E150-Q164 WeakPolarHBondContact OE1-CG 3.13Å; E150-Q164 PolarHBondContact OE1-NE2 2.8Å; E150-Q164 PolarHBondContact OE1-OE1 2.81Å; E150-Q164 PolarHBondContact OE2-NE2 3.19Å; E150-Q164 VanDerWaalsContact OE2-NE2 3.13Å; E150-G197 WeakPolarHBondContact O-CA 2.98Å; E150-C198 PolarHBondContact N-O 3.33Å; E150-C198 VanDerWaalsContact N-O 3.12Å; E150-C198 PolarHBondContact O-N 3.47Å |
| 151 | F | 90.9 | Very high | 79.3 | Confident | 13 Ų | 13 | 66.3 Ų | 66.3 | 6% | 0.057 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 138.2 | 171 | -74.5 | -84.8 | 0 | 0 | 0 | 110.4 | P122 C142 F148 V176 A178 F180 C196 | P122-F151 HydrophobicContact CB-CE1 3.92Å; P122-F151 HydrophobicContact CG-CE1 4.48Å; C142-F151 HydrophobicContact CB-CD1 4.03Å; C142-F151 HydrophobicContact CB-CE1 4.49Å; C142-F151 HydrophobicContact CB-CG 4.44Å; C142-F151 WeakPolarHBondContact SG-CD1 3.27Å; F148-F151 HydrophobicContact CB-CE2 4.24Å; F148-F151 HydrophobicContact CB-CZ 4.18Å; F148-F151 AromaticContact CD2-CE1 3.93Å; F148-F151 HydrophobicContact CD2-CE1 3.93Å; F148-F151 HydrophobicContact CD2-CZ 4.01Å; F151-V176 HydrophobicContact CE2-CB 4.37Å; F151-V176 HydrophobicContact CE2-CG2 3.8Å; F151-V176 HydrophobicContact CZ-CG2 3.83Å; F151-A178 HydrophobicContact CB-CB 3.71Å; F151-A178 HydrophobicContact CD2-CB 3.58Å; F151-A178 HydrophobicContact CE2-CB 4.44Å; F151-A178 HydrophobicContact CG-CB 3.88Å; F151-F180 HydrophobicContact CB-CE2 4.33Å; F151-F180 HydrophobicContact CB-CZ 3.86Å; F151-C196 CarbonylContact C-O 3.6Å; F151-C196 WeakPolarHBondContact CA-O 3.43Å |
| 152 | I | 90.8 | Very high | 77.1 | Confident | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.036 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 117.1 | 178.9 | -56.6 | 88.6 | 0 | 0 | 0 | 108 | E150 C195 C196 W206 | E150-I152 HydrophobicContact CG-CD1 4.46Å; I152-C195 CarbonylContact O-C 3.6Å; I152-C195 WeakPolarHBondContact O-CA 3.44Å; I152-C196 PolarHBondContact N-O 3.2Å; I152-C196 PolarHBondContact O-N 2.99Å; I152-W206 HydrophobicContact CB-CH2 4.15Å; I152-W206 HydrophobicContact CB-CZ2 4.38Å; I152-W206 HydrophobicContact CB-CZ3 4.37Å; I152-W206 HydrophobicContact CD1-CD2 4.24Å; I152-W206 HydrophobicContact CD1-CZ2 4.01Å; I152-W206 HydrophobicContact CG1-CH2 4.07Å; I152-W206 HydrophobicContact CG1-CZ2 3.8Å; I152-W206 HydrophobicContact CG2-CH2 3.72Å; I152-W206 HydrophobicContact CG2-CZ2 4.3Å; I152-W206 HydrophobicContact CG2-CZ3 4.1Å |
| 153 | L | 92.4 | Very high | 74.8 | Confident | 10 Ų | 10 | 70.9 Ų | 70.9 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 137.2 | 170.2 | 179.6 | 73.1 | 0 | 0 | 0 | 109.5 | I124 L140 S162 F180 Y193 C195 | I124-L153 HydrophobicContact CD1-CD1 3.64Å; L140-L153 HydrophobicContact CB-CD2 4.21Å; L140-L153 HydrophobicContact CD1-CD1 4.14Å; L140-L153 HydrophobicContact CD1-CD2 3.81Å; L140-L153 HydrophobicContact CG-CD2 4.49Å; L153-S162 WeakPolarHBondContact O-CA 3.3Å; L153-F180 HydrophobicContact CB-CD1 4.12Å; L153-F180 HydrophobicContact CB-CD2 3.85Å; L153-F180 HydrophobicContact CB-CE1 4.14Å; L153-F180 HydrophobicContact CB-CE2 3.87Å; L153-F180 HydrophobicContact CB-CG 3.98Å; L153-F180 HydrophobicContact CB-CZ 4.01Å; L153-F180 HydrophobicContact CD2-CB 3.59Å; L153-F180 HydrophobicContact CD2-CD1 4.32Å; L153-F180 HydrophobicContact CD2-CD2 3.9Å; L153-F180 HydrophobicContact CD2-CG 3.66Å; L153-F180 HydrophobicContact CG-CD2 4.31Å; L153-F180 HydrophobicContact CG-CG 4.41Å; L153-Y193 HydrophobicContact CD1-CD1 4.26Å; L153-Y193 HydrophobicContact CD2-CD1 4.36Å; L153-Y193 HydrophobicContact CG-CD1 4.27Å; L153-C195 HydrophobicContact CD1-CB 4.41Å |
| 154 | Y | 87.3 | Confident | 72.8 | Confident | 47 Ų | 47 | 73 Ų | 73 | 18% | 0.184 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 159.2 | 171.2 | 62.1 | -87.4 | 0 | 0 | 0 | 111.4 | Y193 R194 P209 | Y154-Y193 CarbonylContact O-C 3.58Å; Y154-Y193 WeakPolarHBondContact O-CA 3.32Å; Y154-R194 HydrophobicContact CE1-CB 4.13Å; Y154-R194 HydrophobicContact CE2-CB 3.97Å; Y154-R194 PolarHBondContact N-O 3.26Å; Y154-R194 PolarHBondContact O-N 2.81Å; Y154-P209 WeakPolarHBondContact OH-CB 3.44Å |
| 155 | K | 85.4 | Confident | 70.6 | Confident | 46 Ų | 46 | 75.6 Ų | 75.6 | 20% | 0.2 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 132.6 | 174.3 | -170.7 | -174.4 | -178.8 | -174.4 | 0 | 108.9 | G157 H158 A188 A190 A192 Y193 | K155-G157 PolarHBondContact O-N 3.31Å; K155-H158 CarbonylContact O-C 3.38Å; K155-H158 PolarHBondContact O-N 2.77Å; K155-A188 PolarHBondContact NZ-O 2.92Å; K155-A190 WeakPolarHBondContact CE-O 3.41Å; K155-A190 PolarHBondContact NZ-O 2.83Å; K155-A192 CarbonylContact C-O 3.56Å; K155-A192 WeakPolarHBondContact CA-O 3.34Å; K155-Y193 HydrophobicContact CB-CD1 4.11Å; K155-Y193 HydrophobicContact CB-CE1 3.82Å; K155-Y193 HydrophobicContact CD-CE2 4.45Å; K155-Y193 HydrophobicContact CG-CE1 4.19Å; K155-Y193 HydrophobicContact CG-CE2 4.2Å |
| 156 | E | 77.4 | Confident | 68.3 | Low | 102 Ų | 102 | 73.3 Ų | 73.3 | 48% | 0.477 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 136.3 | 177.6 | -169.5 | 157.2 | -135.4 | 0 | 0 | 110.8 | H158 A192 R194 | E156-H158 VanDerWaalsContact C-N 3.31Å; E156-H158 PolarHBondContact O-N 2.89Å; E156-A192 HydrophobicContact CB-CB 4.13Å; E156-A192 PolarHBondContact N-O 2.83Å; E156-R194 IonicContact OE1-CZ 3.88Å; E156-R194 IonicContact OE1-NH1 2.64Å; E156-R194 PolarHBondContact OE1-NH1 3.45Å; E156-R194 IonicContact OE1-NH2 3.58Å; E156-R194 PolarHBondContact OE1-NH2 2.82Å; E156-R194 IonicContact OE2-CZ 2.67Å; E156-R194 IonicContact OE2-NH1 2.67Å; E156-R194 PolarHBondContact OE2-NH1 2.76Å; E156-R194 IonicContact OE2-NH2 2.78Å; E156-R194 PolarHBondContact OE2-NH2 3.43Å |
| 157 | G | 64.4 | Low | 66.1 | Low | 73 Ų | 73 | 78.4 Ų | 78.4 | 75% | 0.753 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -11.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | K155 | K155-G157 PolarHBondContact O-N 3.31Š|
| 158 | H | 55.3 | Low | 64 | Low | 115 Ų | 115 | 77.5 Ų | 77.5 | 53% | 0.532 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 103.2 | 175.3 | -68.6 | -83.1 | 0 | 0 | 0 | 111.8 | K155 E156 Q160 | K155-H158 CarbonylContact O-C 3.38Å; K155-H158 PolarHBondContact O-N 2.77Å; E156-H158 VanDerWaalsContact C-N 3.31Å; E156-H158 PolarHBondContact O-N 2.89Å; H158-Q160 PolarHBondContact O-N 3.02Å |
| 159 | I | 47.8 | Very low | 62.1 | Low | 90 Ų | 90 | 82.6 Ų | 82.6 | 46% | 0.462 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -10.2 | 177.4 | -55.3 | 177.8 | 0 | 0 | 0 | 112 | S36 V38 H161 | S36-I159 WeakPolarHBondContact OG-CD1 3.35Å; V38-I159 HydrophobicContact CG2-CD1 4.35Å; V38-I159 HydrophobicContact CG2-CG2 4.06Å; I159-H161 PolarHBondContact O-N 3.11Å |
| 160 | Q | 40.8 | Very low | 60.3 | Low | 175 Ų | 175 | 86.7 Ų | 86.7 | 82% | 0.818 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -9.7 | -164.5 | -72.8 | -170.1 | -36.9 | 0 | 0 | 116.7 | H158 | H158-Q160 PolarHBondContact O-N 3.02Å |
| 161 | H | 38.7 | Very low | 58.4 | Low | 152 Ų | 152 | 89.1 Ų | 89.1 | 70% | 0.704 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 55.6 | 179.1 | -78.6 | -75.5 | 0 | 0 | 0 | 112 | I159 Q163 | I159-H161 PolarHBondContact O-N 3.11Å; H161-Q163 PolarHBondContact O-N 2.9Å; H161-Q163 VanDerWaalsContact O-N 3.13Å |
| 162 | S | 45.5 | Very low | 56.6 | Low | 73 Ų | 73 | 89.6 Ų | 89.6 | 51% | 0.51 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 95.9 | 163.1 | 61.3 | 0 | 0 | 0 | 0 | 108.4 | L153 Q164 | L153-S162 WeakPolarHBondContact O-CA 3.3Å; S162-Q164 PolarHBondContact O-N 2.92Å |
| 163 | Q | 44.7 | Very low | 55 | Low | 101 Ų | 101 | 96.9 Ų | 96.9 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 106.8 | 163.2 | -171.2 | 167.3 | 3 | 0 | 0 | 106.5 | H161 L165 F180 | H161-Q163 PolarHBondContact O-N 2.9Å; H161-Q163 VanDerWaalsContact O-N 3.13Å; Q163-L165 PolarHBondContact O-N 2.91Å; Q163-F180 HydrophobicContact CB-CD1 4.22Å; Q163-F180 HydrophobicContact CG-CD1 4.45Å; Q163-F180 WeakPolarHBondContact O-CE1 3.4Å |
| 164 | Q | 49.3 | Very low | 53.5 | Low | 112 Ų | 112 | 103.8 Ų | 103.8 | 52% | 0.523 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.3 | 110.8 | 168 | 179.6 | 163.2 | 7.3 | 0 | 0 | 106.3 | E150 S162 D166 | E150-Q164 HydrophobicContact CG-CG 4.43Å; E150-Q164 VanDerWaalsContact OE1-CG 3.26Å; E150-Q164 WeakPolarHBondContact OE1-CG 3.13Å; E150-Q164 PolarHBondContact OE1-NE2 2.8Å; E150-Q164 PolarHBondContact OE1-OE1 2.81Å; E150-Q164 PolarHBondContact OE2-NE2 3.19Å; E150-Q164 VanDerWaalsContact OE2-NE2 3.13Å; S162-Q164 PolarHBondContact O-N 2.92Å; Q164-D166 PolarHBondContact O-N 3.22Å |
| 165 | L | 44.7 | Very low | 52.8 | Low | 61 Ų | 61 | 107.3 Ų | 107.3 | 32% | 0.319 | 57% | 0.568 | S | S | . | * | trans | -85.1 | 113.4 | 171.2 | -172.8 | 72.9 | 0 | 0 | 0 | 107.9 | Q163 V179 F180 | Q163-L165 PolarHBondContact O-N 2.91Å; L165-V179 WeakPolarHBondContact CD2-O 3.38Å; L165-F180 HydrophobicContact CB-CD1 4.46Å; L165-F180 HydrophobicContact CB-CE1 4.08Å | ||
| 166 | D | 41 | Very low | 52.7 | Low | 132 Ų | 132 | 105.8 Ų | 105.8 | 71% | 0.706 | 56% | 0.563 | S | S | * | * | trans | -83.5 | 122.8 | 160.9 | -159 | 5.6 | 0 | 0 | 0 | 107.3 | Q164 | Q164-D166 PolarHBondContact O-N 3.22Š| ||
| 167 | Q | 43.1 | Very low | 53.2 | Low | 169 Ų | 169 | 102.8 Ų | 102.8 | 79% | 0.79 | 55% | 0.549 | S | S | * | . | S | Bend | trans | 68.8 | 104.1 | 170.8 | -65.5 | 168.4 | 28 | 0 | 0 | 118.3 | ||
| 168 | G | 42.4 | Very low | 54.3 | Low | 45 Ų | 45 | 99.8 Ų | 99.8 | 46% | 0.464 | 52% | 0.517 | S | S | . | . | trans | 179.9 | 38.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E170 | G168-E170 PolarHBondContact O-N 3.23Š| ||
| 169 | M | 49 | Very low | 56 | Low | 107 Ų | 107 | 96.6 Ų | 96.6 | 53% | 0.527 | 51% | 0.505 | S | S | . | . | trans | -73.8 | 92.7 | 173 | -73.9 | 178 | 174.6 | 0 | 0 | 108.6 | F148 A171 | F148-M169 WeakPolarHBondContact O-CE 3.48Å; M169-A171 PolarHBondContact O-N 2.89Å | ||
| 170 | E | 47.2 | Very low | 58 | Low | 160 Ų | 160 | 92.5 Ų | 92.5 | 75% | 0.748 | 48% | 0.484 | S | S | * | . | trans | -74.4 | 90.3 | 154.3 | -75.3 | -141.6 | 157 | 0 | 0 | 107.3 | G168 G172 | G168-E170 PolarHBondContact O-N 3.23Å; E170-G172 VanDerWaalsContact C-N 3.32Å; E170-G172 PolarHBondContact O-N 2.91Å | ||
| 171 | A | 47.6 | Very low | 60.4 | Low | 81 Ų | 81 | 87 Ų | 87 | 67% | 0.669 | 47% | 0.465 | S | S | * | . | trans | -70.6 | 90.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | M169 | M169-A171 PolarHBondContact O-N 2.89Š| ||
| 172 | G | 53.2 | Low | 62.8 | Low | 24 Ų | 24 | 80.8 Ų | 80.8 | 25% | 0.247 | 44% | 0.437 | C | S | . | . | B | Isolated β-bridge | trans | -64.1 | 152.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | E170 H174 Y175 | E170-G172 VanDerWaalsContact C-N 3.32Å; E170-G172 PolarHBondContact O-N 2.91Å; G172-H174 PolarHBondContact O-N 2.86Å; G172-Y175 PolarHBondContact O-N 2.82Å |
| 173 | I | 57.1 | Low | 64.5 | Low | 160 Ų | 160 | 78.5 Ų | 78.5 | 82% | 0.821 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -15.1 | -171.4 | -55.9 | 173.3 | 0 | 0 | 0 | 113 | ||
| 174 | H | 60.6 | Low | 66.7 | Low | 154 Ų | 154 | 77.8 Ų | 77.8 | 71% | 0.713 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.4 | 14.6 | -177.4 | -60.6 | -63.4 | 0 | 0 | 0 | 116.4 | G172 | G172-H174 PolarHBondContact O-N 2.86Š|
| 175 | Y | 72.6 | Confident | 68.2 | Low | 121 Ų | 121 | 72.6 Ų | 72.6 | 48% | 0.475 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -152.6 | 143.5 | 177.8 | 66.1 | -85.2 | 0 | 0 | 0 | 111.7 | S144 G172 | S144-Y175 WeakPolarHBondContact O-CA 3.34Å; G172-Y175 PolarHBondContact O-N 2.82Å |
| 176 | V | 84.3 | Confident | 69.8 | Low | 15 Ų | 15 | 72.7 Ų | 72.7 | 9% | 0.091 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 141.1 | 171 | -66.9 | 0 | 0 | 0 | 0 | 109.5 | H143 S144 L146 A147 F151 | H143-V176 CarbonylContact C-O 3.5Å; H143-V176 WeakPolarHBondContact CA-O 3.34Å; H143-V176 VanDerWaalsContact CB-O 3.31Å; H143-V176 WeakPolarHBondContact CB-O 3.45Å; S144-V176 PolarHBondContact N-O 2.91Å; S144-V176 PolarHBondContact O-N 2.8Å; L146-V176 WeakPolarHBondContact O-CG2 3.46Å; A147-V176 HydrophobicContact CB-CG1 4.15Å; F151-V176 HydrophobicContact CE2-CB 4.37Å; F151-V176 HydrophobicContact CE2-CG2 3.8Å; F151-V176 HydrophobicContact CZ-CG2 3.83Å |
| 177 | E | 87.9 | Confident | 71.4 | Confident | 38 Ų | 38 | 68.7 Ų | 68.7 | 18% | 0.178 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 145.6 | 179.2 | -177.8 | 172.8 | -121.5 | 0 | 0 | 110.2 | R141 C142 H143 V179 | R141-E177 HydrophobicContact CB-CG 4.31Å; R141-E177 VanDerWaalsContact CB-OE1 3.24Å; R141-E177 WeakPolarHBondContact CB-OE1 3.19Å; R141-E177 VanDerWaalsContact CD-OE1 3.24Å; R141-E177 WeakPolarHBondContact CD-OE1 3.36Å; R141-E177 IonicContact NH1-OE2 2.71Å; C142-E177 CarbonylContact O-C 3.57Å; C142-E177 VanDerWaalsContact O-CA 3.31Å; C142-E177 WeakPolarHBondContact O-CA 3.49Å; H143-E177 HydrophobicContact CB-CB 3.89Å; H143-E177 HydrophobicContact CB-CG 4.05Å; E177-V179 HydrophobicContact CG-CG2 4.3Å |
| 178 | A | 87.8 | Confident | 73 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 138.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | R141 C142 F151 F180 | R141-A178 WeakPolarHBondContact CA-O 3.21Å; C142-A178 PolarHBondContact N-O 2.97Å; C142-A178 PolarHBondContact O-N 2.83Å; F151-A178 HydrophobicContact CB-CB 3.71Å; F151-A178 HydrophobicContact CD2-CB 3.58Å; F151-A178 HydrophobicContact CE2-CB 4.44Å; F151-A178 HydrophobicContact CG-CB 3.88Å; A178-F180 HydrophobicContact CB-CE2 3.94Å; A178-F180 HydrophobicContact CB-CZ 3.91Å |
| 179 | V | 90.7 | Very high | 74.9 | Confident | 49 Ų | 49 | 64.7 Ų | 64.7 | 30% | 0.297 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 109.1 | -176.6 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | R141 L165 E177 | R141-V179 HydrophobicContact CG-CG1 4.33Å; R141-V179 HydrophobicContact CG-CG2 4.17Å; L165-V179 WeakPolarHBondContact CD2-O 3.38Å; E177-V179 HydrophobicContact CG-CG2 4.3Å |
| 180 | F | 90.3 | Very high | 76.4 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.013 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 105.4 | 178 | -54.2 | -80.2 | 0 | 0 | 0 | 110.3 | S139 L140 C142 F151 L153 Q163 L165 A178 | S139-F180 CarbonylContact C-O 3.24Å; S139-F180 WeakPolarHBondContact CA-O 3.28Å; L140-F180 HydrophobicContact CB-CB 4.38Å; L140-F180 PolarHBondContact N-O 2.81Å; L140-F180 WeakPolarHBondContact O-CD2 3.46Å; L140-F180 PolarHBondContact O-N 2.86Å; C142-F180 HydrophobicContact CB-CE2 4.02Å; F151-F180 HydrophobicContact CB-CE2 4.33Å; F151-F180 HydrophobicContact CB-CZ 3.86Å; L153-F180 HydrophobicContact CB-CD1 4.12Å; L153-F180 HydrophobicContact CB-CD2 3.85Å; L153-F180 HydrophobicContact CB-CE1 4.14Å; L153-F180 HydrophobicContact CB-CE2 3.87Å; L153-F180 HydrophobicContact CB-CG 3.98Å; L153-F180 HydrophobicContact CB-CZ 4.01Å; L153-F180 HydrophobicContact CD2-CB 3.59Å; L153-F180 HydrophobicContact CD2-CD1 4.32Å; L153-F180 HydrophobicContact CD2-CD2 3.9Å; L153-F180 HydrophobicContact CD2-CG 3.66Å; L153-F180 HydrophobicContact CG-CD2 4.31Å; L153-F180 HydrophobicContact CG-CG 4.41Å; Q163-F180 HydrophobicContact CB-CD1 4.22Å; Q163-F180 HydrophobicContact CG-CD1 4.45Å; Q163-F180 WeakPolarHBondContact O-CE1 3.4Å; L165-F180 HydrophobicContact CB-CD1 4.46Å; L165-F180 HydrophobicContact CB-CE1 4.08Å; A178-F180 HydrophobicContact CB-CE2 3.94Å; A178-F180 HydrophobicContact CB-CZ 3.91Å |
| 181 | S | 91 | Very high | 78 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 41% | 0.413 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 122.9 | 175.9 | -75.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 182 | M | 88.3 | Confident | 79.6 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.6 | 179.6 | -172.7 | -170.3 | -63 | 0 | 0 | 111.4 | R137 V138 L140 V185 H189 Y193 | R137-M182 WeakPolarHBondContact CA-O 3.38Å; V138-M182 HydrophobicContact CG1-CB 3.92Å; V138-M182 HydrophobicContact CG1-CG 4.41Å; V138-M182 HydrophobicContact CG1-SD 4.19Å; V138-M182 PolarHBondContact N-O 2.78Å; V138-M182 WeakPolarHBondContact O-CA 3.43Å; V138-M182 PolarHBondContact O-N 3.27Å; V138-M182 VanDerWaalsContact O-O 3.05Å; L140-M182 HydrophobicContact CD1-CE 3.59Å; L140-M182 HydrophobicContact CG-CE 4.25Å; M182-V185 HydrophobicContact CG-CG1 4.2Å; M182-V185 HydrophobicContact SD-CG1 4.39Å; M182-H189 HydrophobicContact SD-CB 3.83Å; M182-Y193 HydrophobicContact CE-CD1 4.2Å; M182-Y193 HydrophobicContact CE-CE1 3.46Å; M182-Y193 VanDerWaalsContact CE-CE1 3.46Å; M182-Y193 HydrophobicContact CE-CE2 4.17Å; M182-Y193 VanDerWaalsContact CE-CZ 3.45Å; M182-Y193 WeakPolarHBondContact CE-OH 3.32Å |
| 183 | G | 82.7 | Confident | 81.3 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 25% | 0.247 | 28% | 0.282 | C | S | . | . | trans | 124.3 | 178.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115 | R137 V185 | R137-G183 PolarHBondContact NH1-O 3.05Å; G183-V185 VanDerWaalsContact CA-N 3.31Å | ||
| 184 | P | 89.8 | Confident | 83 | Confident | 87 Ų | 87 | 43.6 Ų | 43.6 | 57% | 0.565 | 25% | 0.25 | S | S | * | . | S | Bend | cis | -55.4 | 123.7 | 8.8 | -26.5 | 35.7 | 0 | 0 | 0 | 114 | A136 | A136-P184 CarbonylContact O-C 3.52Å; A136-P184 WeakPolarHBondContact O-CA 3.38Å |
| 185 | V | 81.5 | Confident | 84.5 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | trans | -74.5 | 138.7 | -170.7 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | V132 H133 G135 A136 V138 M182 G183 H189 I217 | V132-V185 HydrophobicContact CB-CG2 4.13Å; V132-V185 HydrophobicContact CG1-CG1 4.31Å; V132-V185 HydrophobicContact CG1-CG2 3.54Å; H133-V185 WeakPolarHBondContact O-CG2 3.34Å; G135-V185 PolarHBondContact N-O 2.03Å; A136-V185 WeakPolarHBondContact O-CG2 3.31Å; A136-V185 PolarHBondContact O-N 2.89Å; V138-V185 HydrophobicContact CG1-CG1 3.94Å; M182-V185 HydrophobicContact CG-CG1 4.2Å; M182-V185 HydrophobicContact SD-CG1 4.39Å; G183-V185 VanDerWaalsContact CA-N 3.31Å; V185-H189 HydrophobicContact CB-CB 4.48Å; V185-I217 HydrophobicContact CB-CD1 3.9Å; V185-I217 HydrophobicContact CG1-CD1 4.49Å; V185-I217 HydrophobicContact CG2-CD1 3.75Å; V185-I217 HydrophobicContact CG2-CG2 4.47Å | ||
| 186 | T | 78.6 | Confident | 85.5 | Confident | 63 Ų | 63 | 30.5 Ų | 30.5 | 39% | 0.387 | 19% | 0.194 | S | C | . | . | trans | -117.9 | 165 | 173.1 | 72.3 | 0 | 0 | 0 | 0 | 108.7 | A188 H189 | T186-A188 PolarHBondContact O-N 2.76Å; T186-H189 PolarHBondContact N-ND1 2.85Å; T186-H189 VanDerWaalsContact O-CB 3.28Å; T186-H189 WeakPolarHBondContact O-CB 3.16Å; T186-H189 PolarHBondContact O-N 3.09Å; T186-H189 PolarHBondContact O-ND1 3Å; T186-H189 PolarHBondContact OG1-CE1 2.92Å; T186-H189 PolarHBondContact OG1-ND1 2.92Å | ||
| 187 | P | 74.1 | Confident | 85.9 | Confident | 49 Ų | 49 | 29.8 Ų | 29.8 | 32% | 0.318 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -54.7 | -25.1 | 177.5 | -24.6 | 33.4 | 0 | 0 | 0 | 114.4 | H189 A190 K220 | P187-H189 PolarHBondContact O-N 2.91Å; P187-A190 WeakPolarHBondContact O-CB 3.36Å; P187-A190 PolarHBondContact O-N 2.76Å; P187-A190 VanDerWaalsContact O-N 3.1Å; P187-K220 HydrophobicContact CB-CD 3.85Å; P187-K220 HydrophobicContact CG-CB 4.01Å; P187-K220 HydrophobicContact CG-CD 3.16Å; P187-K220 HydrophobicContact CG-CG 3.5Å |
| 188 | A | 77.4 | Confident | 86.1 | Confident | 74 Ų | 74 | 28 Ų | 28 | 61% | 0.612 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -63.8 | -22.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | K155 T186 A190 | K155-A188 PolarHBondContact NZ-O 2.92Å; T186-A188 PolarHBondContact O-N 2.76Å; A188-A190 VanDerWaalsContact C-N 3.29Å |
| 189 | H | 82.3 | Confident | 86.2 | Confident | 55 Ų | 55 | 29.6 Ų | 29.6 | 26% | 0.255 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -80.2 | -6.7 | 176.2 | -59.2 | 84.7 | 0 | 0 | 0 | 112.9 | M182 V185 T186 P187 Y193 | M182-H189 HydrophobicContact SD-CB 3.83Å; V185-H189 HydrophobicContact CB-CB 4.48Å; T186-H189 PolarHBondContact N-ND1 2.85Å; T186-H189 VanDerWaalsContact O-CB 3.28Å; T186-H189 WeakPolarHBondContact O-CB 3.16Å; T186-H189 PolarHBondContact O-N 3.09Å; T186-H189 PolarHBondContact O-ND1 3Å; T186-H189 PolarHBondContact OG1-CE1 2.92Å; T186-H189 PolarHBondContact OG1-ND1 2.92Å; P187-H189 PolarHBondContact O-N 2.91Å; H189-Y193 WeakPolarHBondContact O-CE2 3.42Å; H189-Y193 PolarHBondContact O-OH 3.37Å; H189-Y193 VanDerWaalsContact O-OH 3.05Å |
| 190 | A | 80.3 | Confident | 86 | Confident | 14 Ų | 14 | 30.9 Ų | 30.9 | 12% | 0.116 | 20% | 0.197 | C | C | . | . | trans | -70.8 | 138.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K155 P187 A188 I215 I217 P303 | K155-A190 WeakPolarHBondContact CE-O 3.41Å; K155-A190 PolarHBondContact NZ-O 2.83Å; P187-A190 WeakPolarHBondContact O-CB 3.36Å; P187-A190 PolarHBondContact O-N 2.76Å; P187-A190 VanDerWaalsContact O-N 3.1Å; A188-A190 VanDerWaalsContact C-N 3.29Å; A190-I215 CarbonylContact C-O 3.53Å; A190-I215 VanDerWaalsContact CA-O 3.22Å; A190-I215 WeakPolarHBondContact CA-O 3.36Å; A190-I217 HydrophobicContact CB-CB 4.46Å; A190-I217 HydrophobicContact CB-CG1 3.94Å; A190-P303 HydrophobicContact CB-CG 4.33Å | ||
| 191 | G | 79.1 | Confident | 85.8 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.9 | 179.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y193 I215 | G191-Y193 VanDerWaalsContact O-CD2 3.3Å; G191-Y193 WeakPolarHBondContact O-CD2 3.3Å; G191-I215 PolarHBondContact N-O 2.8Å; G191-I215 PolarHBondContact O-N 2.98Å |
| 192 | A | 82.6 | Confident | 85.6 | Confident | 10 Ų | 10 | 35.9 Ų | 35.9 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 127.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K155 E156 P212 D214 Y304 | K155-A192 CarbonylContact C-O 3.56Å; K155-A192 WeakPolarHBondContact CA-O 3.34Å; E156-A192 HydrophobicContact CB-CB 4.13Å; E156-A192 PolarHBondContact N-O 2.83Å; A192-P212 HydrophobicContact CB-CB 4.22Å; A192-D214 WeakPolarHBondContact CB-OD1 3.38Å; A192-Y304 PolarHBondContact N-OH 2.73Å |
| 193 | Y | 89.2 | Confident | 85.5 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 8% | 0.075 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 144 | 175.2 | -71.4 | -99.3 | 0 | 0 | 0 | 110.5 | L140 L153 Y154 K155 M182 H189 G191 P212 L213 I215 | L140-Y193 HydrophobicContact CD1-CD1 3.82Å; L140-Y193 HydrophobicContact CD1-CD2 4.28Å; L140-Y193 HydrophobicContact CD1-CE1 4.35Å; L140-Y193 HydrophobicContact CD1-CG 3.79Å; L153-Y193 HydrophobicContact CD1-CD1 4.26Å; L153-Y193 HydrophobicContact CD2-CD1 4.36Å; L153-Y193 HydrophobicContact CG-CD1 4.27Å; Y154-Y193 CarbonylContact O-C 3.58Å; Y154-Y193 WeakPolarHBondContact O-CA 3.32Å; K155-Y193 HydrophobicContact CB-CD1 4.11Å; K155-Y193 HydrophobicContact CB-CE1 3.82Å; K155-Y193 HydrophobicContact CD-CE2 4.45Å; K155-Y193 HydrophobicContact CG-CE1 4.19Å; K155-Y193 HydrophobicContact CG-CE2 4.2Å; M182-Y193 HydrophobicContact CE-CD1 4.2Å; M182-Y193 HydrophobicContact CE-CE1 3.46Å; M182-Y193 VanDerWaalsContact CE-CE1 3.46Å; M182-Y193 HydrophobicContact CE-CE2 4.17Å; M182-Y193 VanDerWaalsContact CE-CZ 3.45Å; M182-Y193 WeakPolarHBondContact CE-OH 3.32Å; H189-Y193 WeakPolarHBondContact O-CE2 3.42Å; H189-Y193 PolarHBondContact O-OH 3.37Å; H189-Y193 VanDerWaalsContact O-OH 3.05Å; G191-Y193 VanDerWaalsContact O-CD2 3.3Å; G191-Y193 WeakPolarHBondContact O-CD2 3.3Å; Y193-P212 CarbonylContact O-C 3.55Å; Y193-P212 WeakPolarHBondContact O-CA 3.39Å; Y193-L213 PolarHBondContact N-O 3.43Å; Y193-L213 PolarHBondContact O-N 3.08Å; Y193-I215 HydrophobicContact CD2-CB 4.2Å; Y193-I215 HydrophobicContact CD2-CG1 3.63Å; Y193-I215 HydrophobicContact CE2-CB 4.02Å; Y193-I215 HydrophobicContact CE2-CG1 3.84Å |
| 194 | R | 92.4 | Very high | 86 | Confident | 41 Ų | 41 | 43 Ų | 43 | 16% | 0.155 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 155.1 | 171.4 | -71.6 | -169.6 | -178.9 | 79.2 | -1.7 | 110.2 | Y154 E156 S210 P212 | Y154-R194 HydrophobicContact CE1-CB 4.13Å; Y154-R194 HydrophobicContact CE2-CB 3.97Å; Y154-R194 PolarHBondContact N-O 3.26Å; Y154-R194 PolarHBondContact O-N 2.81Å; E156-R194 IonicContact OE1-CZ 3.88Å; E156-R194 IonicContact OE1-NH1 2.64Å; E156-R194 PolarHBondContact OE1-NH1 3.45Å; E156-R194 IonicContact OE1-NH2 3.58Å; E156-R194 PolarHBondContact OE1-NH2 2.82Å; E156-R194 IonicContact OE2-CZ 2.67Å; E156-R194 IonicContact OE2-NH1 2.67Å; E156-R194 PolarHBondContact OE2-NH1 2.76Å; E156-R194 IonicContact OE2-NH2 2.78Å; E156-R194 PolarHBondContact OE2-NH2 3.43Å; R194-S210 WeakPolarHBondContact CA-OG 3.32Å; R194-S210 VanDerWaalsContact CD-O 3.27Å; R194-S210 WeakPolarHBondContact CD-O 3.24Å; R194-P212 HydrophobicContact CG-CB 4.37Å |
| 195 | C | 92.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 154.2 | 171.2 | 67.9 | 0 | 0 | 0 | 0 | 113.1 | I124 C142 I152 L153 S210 | I124-C195 HydrophobicContact CD1-CB 4.32Å; C142-C195 HydrophobicContact CB-CB 3.65Å; C142-C195 WeakPolarHBondContact CB-SG 3.3Å; C142-C195 WeakPolarHBondContact SG-CB 3.47Å; C142-C195 CovalentContact SG-SG 2.03Å; C142-C195 PolarHBondContact SG-SG 3.47Å; I152-C195 CarbonylContact O-C 3.6Å; I152-C195 WeakPolarHBondContact O-CA 3.44Å; L153-C195 HydrophobicContact CD1-CB 4.41Å; C195-S210 PolarHBondContact N-OG 2.93Å; C195-S210 PolarHBondContact O-N 2.96Å |
| 196 | C | 93.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 156 | 171.5 | -59.7 | 0 | 0 | 0 | 0 | 109 | F151 I152 W206 S207 | F151-C196 CarbonylContact C-O 3.6Å; F151-C196 WeakPolarHBondContact CA-O 3.43Å; I152-C196 PolarHBondContact N-O 3.2Å; I152-C196 PolarHBondContact O-N 2.99Å; C196-W206 HydrophobicContact CB-CB 4.32Å; C196-W206 HydrophobicContact CB-CD2 4.31Å; C196-W206 HydrophobicContact CB-CE3 3.85Å; C196-S207 WeakPolarHBondContact CA-OG 3.41Å |
| 197 | G | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 150.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E150 S207 | E150-G197 WeakPolarHBondContact O-CA 2.98Å; G197-S207 PolarHBondContact N-OG 2.95Å; G197-S207 PolarHBondContact O-N 2.93Å |
| 198 | C | 91.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 163.9 | 170.6 | 69.5 | 0 | 0 | 0 | 0 | 111.4 | D149 E150 E205 W206 | D149-C198 PolarHBondContact N-O 3.13Å; D149-C198 VanDerWaalsContact N-O 3.16Å; E150-C198 PolarHBondContact N-O 3.33Å; E150-C198 VanDerWaalsContact N-O 3.12Å; E150-C198 PolarHBondContact O-N 3.47Å; C198-E205 VanDerWaalsContact CB-O 3.27Å; C198-E205 WeakPolarHBondContact CB-O 3.45Å; C198-W206 HydrophobicContact CB-CG 4.41Å |
| 199 | F | 89.6 | Confident | 89.5 | Confident | 42 Ų | 42 | 37.8 Ų | 37.8 | 18% | 0.184 | 19% | 0.189 | C | C | . | . | trans | -94.8 | 149.7 | 173.5 | -59.1 | -79.8 | 0 | 0 | 0 | 110.4 | F119 A147 F148 H201 S202 R203 | F119-F199 HydrophobicContact CD1-CE2 4.22Å; F119-F199 HydrophobicContact CE1-CD2 4.41Å; F119-F199 AromaticContact CE1-CE2 3.96Å; F119-F199 HydrophobicContact CE1-CE2 3.96Å; F119-F199 HydrophobicContact CE2-CD2 4.19Å; F119-F199 HydrophobicContact CE2-CE2 4.29Å; F119-F199 HydrophobicContact CG-CE2 4.5Å; F119-F199 HydrophobicContact CZ-CD2 4.01Å; F119-F199 HydrophobicContact CZ-CE2 4.01Å; A147-F199 VanDerWaalsContact O-CE1 3.29Å; A147-F199 WeakPolarHBondContact O-CE1 3.14Å; F148-F199 HydrophobicContact CD1-CD1 4.43Å; F148-F199 HydrophobicContact CD1-CD2 4.22Å; F148-F199 HydrophobicContact CD1-CE1 4.13Å; F148-F199 AromaticContact CD1-CE2 3.9Å; F148-F199 HydrophobicContact CD1-CE2 3.9Å; F148-F199 HydrophobicContact CD1-CG 4.48Å; F148-F199 AromaticContact CD1-CZ 3.85Å; F148-F199 HydrophobicContact CD1-CZ 3.85Å; F148-F199 HydrophobicContact CE1-CD2 4.37Å; F148-F199 AromaticContact CE1-CE2 3.8Å; F148-F199 HydrophobicContact CE1-CE2 3.8Å; F148-F199 AromaticContact CE1-CZ 4Å; F148-F199 HydrophobicContact CE1-CZ 4Å; F199-H201 WeakPolarHBondContact CB-CE1 3.36Å; F199-H201 WeakPolarHBondContact CB-ND1 3.24Å; F199-H201 AromaticContact CG-CE1 3.73Å; F199-H201 PolarHBondContact O-N 3.24Å; F199-S202 CarbonylContact O-C 3.59Å; F199-S202 VanDerWaalsContact O-C 3.24Å; F199-S202 PolarHBondContact O-N 2.81Å; F199-R203 PolarHBondContact O-N 3.24Å | ||
| 200 | S | 86.4 | Confident | 90.1 | Very high | 76 Ų | 76 | 35.3 Ų | 35.3 | 53% | 0.531 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -58 | -33.7 | -179.4 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | D149 S202 R203 | D149-S200 VanDerWaalsContact OD2-CB 3.25Å; D149-S200 WeakPolarHBondContact OD2-CB 3.06Å; D149-S200 PolarHBondContact OD2-N 2.9Å; D149-S200 PolarHBondContact OD2-OG 2.84Å; S200-S202 VanDerWaalsContact C-N 3.31Å; S200-R203 VanDerWaalsContact O-CG 3.27Å; S200-R203 WeakPolarHBondContact O-CG 3.29Å |
| 201 | H | 85.9 | Confident | 90.6 | Very high | 156 Ų | 156 | 39.3 Ų | 39.3 | 72% | 0.722 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -78.7 | -10.9 | 177.2 | 66.2 | -88.2 | 0 | 0 | 0 | 113.8 | F199 | F199-H201 WeakPolarHBondContact CB-CE1 3.36Å; F199-H201 WeakPolarHBondContact CB-ND1 3.24Å; F199-H201 AromaticContact CG-CE1 3.73Å; F199-H201 PolarHBondContact O-N 3.24Å |
| 202 | S | 87.2 | Confident | 91 | Very high | 12 Ų | 12 | 42 Ų | 42 | 8% | 0.084 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -140.1 | 52.3 | -175.9 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | F199 S200 Y204 E205 | F199-S202 CarbonylContact O-C 3.59Å; F199-S202 VanDerWaalsContact O-C 3.24Å; F199-S202 PolarHBondContact O-N 2.81Å; S200-S202 VanDerWaalsContact C-N 3.31Å; S202-Y204 PolarHBondContact O-N 3.17Å; S202-E205 WeakPolarHBondContact O-CB 3.21Å; S202-E205 PolarHBondContact O-N 2.86Å |
| 203 | R | 87.3 | Confident | 91.2 | Very high | 132 Ų | 132 | 42.9 Ų | 42.9 | 50% | 0.498 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -14.8 | -172.3 | -58 | -145 | -69.7 | -168.4 | -5.2 | 116.7 | F199 S200 W206 | F199-R203 PolarHBondContact O-N 3.24Å; S200-R203 VanDerWaalsContact O-CG 3.27Å; S200-R203 WeakPolarHBondContact O-CG 3.29Å; R203-W206 PolarHBondContact O-NE1 3.19Å |
| 204 | Y | 91.5 | Very high | 90.9 | Very high | 65 Ų | 65 | 45.1 Ų | 45.1 | 26% | 0.255 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -4.1 | 176.6 | -53.7 | -62.7 | 0 | 0 | 0 | 113 | T91 K112 I114 V115 S202 | T91-Y204 PolarHBondContact OG1-OH 3.4Å; K112-Y204 HydrophobicContact CB-CD1 4.34Å; K112-Y204 HydrophobicContact CB-CE1 4.01Å; K112-Y204 HydrophobicContact CD-CE1 3.89Å; K112-Y204 HydrophobicContact CG-CE1 3.77Å; I114-Y204 CarbonylContact C-O 3.6Å; I114-Y204 WeakPolarHBondContact CA-O 3.24Å; V115-Y204 PolarHBondContact N-O 3.19Å; S202-Y204 PolarHBondContact O-N 3.17Å |
| 205 | E | 94.3 | Very high | 90.3 | Very high | 61 Ų | 61 | 43.1 Ų | 43.1 | 29% | 0.285 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 109.7 | -178.9 | -68.9 | 178.2 | -137.8 | 0 | 0 | 108.9 | A89 L118 F119 C198 S202 | A89-E205 HydrophobicContact CB-CG 3.97Å; L118-E205 HydrophobicContact CD1-CB 3.49Å; L118-E205 VanDerWaalsContact CD1-CB 3.49Å; L118-E205 HydrophobicContact CD1-CG 3.59Å; F119-E205 HydrophobicContact CE2-CB 4.34Å; C198-E205 VanDerWaalsContact CB-O 3.27Å; C198-E205 WeakPolarHBondContact CB-O 3.45Å; S202-E205 WeakPolarHBondContact O-CB 3.21Å; S202-E205 PolarHBondContact O-N 2.86Å |
| 206 | W | 94.9 | Very high | 89.6 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 10% | 0.102 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 155.1 | -172.4 | -70.2 | 10.2 | 0 | 0 | 0 | 111.4 | I114 V115 T116 G117 L118 I152 C196 C198 R203 | I114-W206 HydrophobicContact CD1-CH2 3.82Å; I114-W206 HydrophobicContact CD1-CZ2 3.6Å; I114-W206 HydrophobicContact CG1-CZ2 4.2Å; I114-W206 HydrophobicContact CG2-CB 4.26Å; I114-W206 HydrophobicContact CG2-CD2 3.32Å; I114-W206 VanDerWaalsContact CG2-CE2 3.48Å; I114-W206 HydrophobicContact CG2-CE3 3.72Å; I114-W206 HydrophobicContact CG2-CG 3.58Å; I114-W206 HydrophobicContact CG2-CH2 4.32Å; I114-W206 HydrophobicContact CG2-CZ2 4Å; I114-W206 HydrophobicContact CG2-CZ3 4.2Å; V115-W206 PolarHBondContact O-N 2.87Å; T116-W206 HydrophobicContact CG2-CB 4.07Å; T116-W206 HydrophobicContact CG2-CE3 4.16Å; G117-W206 PolarHBondContact N-O 3.25Å; L118-W206 PolarHBondContact N-O 2.87Å; I152-W206 HydrophobicContact CB-CH2 4.15Å; I152-W206 HydrophobicContact CB-CZ2 4.38Å; I152-W206 HydrophobicContact CB-CZ3 4.37Å; I152-W206 HydrophobicContact CD1-CD2 4.24Å; I152-W206 HydrophobicContact CD1-CZ2 4.01Å; I152-W206 HydrophobicContact CG1-CH2 4.07Å; I152-W206 HydrophobicContact CG1-CZ2 3.8Å; I152-W206 HydrophobicContact CG2-CH2 3.72Å; I152-W206 HydrophobicContact CG2-CZ2 4.3Å; I152-W206 HydrophobicContact CG2-CZ3 4.1Å; C196-W206 HydrophobicContact CB-CB 4.32Å; C196-W206 HydrophobicContact CB-CD2 4.31Å; C196-W206 HydrophobicContact CB-CE3 3.85Å; C198-W206 HydrophobicContact CB-CG 4.41Å; R203-W206 PolarHBondContact O-NE1 3.19Å |
| 207 | S | 95.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 166.4 | 166.8 | 72 | 0 | 0 | 0 | 0 | 112.1 | G117 T120 P122 C196 G197 | G117-S207 PolarHBondContact N-O 3.31Å; T120-S207 WeakPolarHBondContact O-CB 3.41Å; P122-S207 WeakPolarHBondContact CD-OG 3.45Å; C196-S207 WeakPolarHBondContact CA-OG 3.41Å; G197-S207 PolarHBondContact N-OG 2.95Å; G197-S207 PolarHBondContact O-N 2.93Å |
| 208 | A | 95.8 | Very high | 87.7 | Confident | 28 Ų | 28 | 49.4 Ų | 49.4 | 23% | 0.231 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 145.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | F119 K121 P122 | F119-A208 PolarHBondContact O-N 2.72Å; K121-A208 WeakPolarHBondContact CA-O 3.41Å; K121-A208 HydrophobicContact CB-CB 3.84Å; K121-A208 WeakPolarHBondContact CB-O 3.44Å; P122-A208 WeakPolarHBondContact CD-O 3.47Å |
| 209 | P | 93.8 | Very high | 86.4 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 32% | 0.318 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 146.8 | 177.2 | 30.5 | -36 | 0 | 0 | 0 | 111 | K121 Y154 | K121-P209 WeakPolarHBondContact CB-O 3.35Å; Y154-P209 WeakPolarHBondContact OH-CB 3.44Å |
| 210 | S | 95.5 | Very high | 85.1 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 167.8 | 172.6 | 73.8 | 0 | 0 | 0 | 0 | 111.7 | P122 I124 R194 C195 | P122-S210 WeakPolarHBondContact O-CA 3.49Å; P122-S210 WeakPolarHBondContact O-CB 3.37Å; I124-S210 WeakPolarHBondContact CG2-OG 3.35Å; R194-S210 WeakPolarHBondContact CA-OG 3.32Å; R194-S210 VanDerWaalsContact CD-O 3.27Å; R194-S210 WeakPolarHBondContact CD-O 3.24Å; C195-S210 PolarHBondContact N-OG 2.93Å; C195-S210 PolarHBondContact O-N 2.96Å |
| 211 | D | 90.8 | Very high | 83.9 | Confident | 98 Ų | 98 | 55.1 Ų | 55.1 | 52% | 0.524 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 148.6 | 163.7 | -65.4 | -34.2 | 0 | 0 | 0 | 110 | K121 I124 | K121-D211 IonicContact NZ-OD1 3.06Å; K121-D211 PolarHBondContact NZ-OD1 2.87Å; K121-D211 IonicContact NZ-OD2 2.7Å; K121-D211 PolarHBondContact NZ-OD2 3.1Å; I124-D211 WeakPolarHBondContact CG2-O 3.18Å |
| 212 | P | 88.6 | Confident | 82.9 | Confident | 64 Ų | 64 | 53.2 Ų | 53.2 | 42% | 0.416 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 140 | 178.6 | 26 | -32.2 | 0 | 0 | 0 | 111.5 | A192 Y193 R194 | A192-P212 HydrophobicContact CB-CB 4.22Å; Y193-P212 CarbonylContact O-C 3.55Å; Y193-P212 WeakPolarHBondContact O-CA 3.39Å; R194-P212 HydrophobicContact CG-CB 4.37Å |
| 213 | L | 86.7 | Confident | 82 | Confident | 27 Ų | 27 | 58 Ų | 58 | 14% | 0.141 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 110.7 | 170.8 | 176.8 | 63.1 | 0 | 0 | 0 | 110 | I124 A126 L140 Y193 I215 | I124-L213 HydrophobicContact CD1-CB 4.17Å; I124-L213 HydrophobicContact CD1-CD2 4.17Å; I124-L213 HydrophobicContact CG1-CB 4.32Å; I124-L213 HydrophobicContact CG1-CD2 3.84Å; I124-L213 HydrophobicContact CG2-CB 3.85Å; A126-L213 HydrophobicContact CB-CD2 3.98Å; L140-L213 HydrophobicContact CD2-CD2 3.96Å; Y193-L213 PolarHBondContact N-O 3.43Å; Y193-L213 PolarHBondContact O-N 3.08Å; L213-I215 HydrophobicContact CD2-CD1 4.34Å; L213-I215 HydrophobicContact CG-CD1 4.17Å; L213-I215 PolarHBondContact O-N 2.81Å |
| 214 | D | 81.8 | Confident | 81.4 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 35% | 0.353 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 117.6 | 179.7 | -63.2 | -40.6 | 0 | 0 | 0 | 111.3 | S130 A192 Y304 | S130-D214 WeakPolarHBondContact CB-O 3.37Å; A192-D214 WeakPolarHBondContact CB-OD1 3.38Å; D214-Y304 HydrophobicContact CB-CE1 4.07Å; D214-Y304 VanDerWaalsContact CG-CE1 3.5Å; D214-Y304 VanDerWaalsContact CG-OH 3.26Å; D214-Y304 VanDerWaalsContact OD1-CZ 3.32Å; D214-Y304 PolarHBondContact OD1-OH 2.89Å |
| 215 | I | 81.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 122 | 171.9 | -58 | -57 | 0 | 0 | 0 | 109.5 | A126 V132 L140 A190 G191 Y193 L213 I217 | A126-I215 HydrophobicContact CB-CD1 3.99Å; V132-I215 HydrophobicContact CG2-CG2 4.33Å; L140-I215 HydrophobicContact CD1-CG1 4.45Å; L140-I215 HydrophobicContact CD2-CD1 3.54Å; L140-I215 HydrophobicContact CD2-CG1 4.12Å; A190-I215 CarbonylContact C-O 3.53Å; A190-I215 VanDerWaalsContact CA-O 3.22Å; A190-I215 WeakPolarHBondContact CA-O 3.36Å; G191-I215 PolarHBondContact N-O 2.8Å; G191-I215 PolarHBondContact O-N 2.98Å; Y193-I215 HydrophobicContact CD2-CB 4.2Å; Y193-I215 HydrophobicContact CD2-CG1 3.63Å; Y193-I215 HydrophobicContact CE2-CB 4.02Å; Y193-I215 HydrophobicContact CE2-CG1 3.84Å; L213-I215 HydrophobicContact CD2-CD1 4.34Å; L213-I215 HydrophobicContact CG-CD1 4.17Å; L213-I215 PolarHBondContact O-N 2.81Å; I215-I217 HydrophobicContact CG2-CD1 3.8Å |
| 216 | V | 77.8 | Confident | 80.4 | Confident | 55 Ų | 55 | 50.3 Ų | 50.3 | 33% | 0.333 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122.2 | -178.2 | -178 | 0 | 0 | 0 | 0 | 109.3 | S130 L131 V132 | S130-V216 PolarHBondContact O-N 2.81Å; L131-V216 HydrophobicContact CD1-CB 3.88Å; L131-V216 HydrophobicContact CD1-CG1 3.74Å; V132-V216 PolarHBondContact N-O 2.96Å |
| 217 | I | 74.2 | Confident | 79.8 | Confident | 26 Ų | 26 | 51.3 Ų | 51.3 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 121.2 | -178.8 | -52.4 | -57.3 | 0 | 0 | 0 | 110.6 | V132 A134 V185 A190 I215 | V132-I217 HydrophobicContact CB-CD1 3.96Å; V132-I217 CarbonylContact O-C 3.57Å; V132-I217 VanDerWaalsContact O-CA 3.28Å; V132-I217 WeakPolarHBondContact O-CA 3.37Å; A134-I217 HydrophobicContact CB-CG2 4.14Å; V185-I217 HydrophobicContact CB-CD1 3.9Å; V185-I217 HydrophobicContact CG1-CD1 4.49Å; V185-I217 HydrophobicContact CG2-CD1 3.75Å; V185-I217 HydrophobicContact CG2-CG2 4.47Å; A190-I217 HydrophobicContact CB-CB 4.46Å; A190-I217 HydrophobicContact CB-CG1 3.94Å; I215-I217 HydrophobicContact CG2-CD1 3.8Å |
| 218 | T | 70.3 | Confident | 78.8 | Confident | 51 Ų | 51 | 53.1 Ų | 53.1 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 167.3 | 178.3 | 59 | 0 | 0 | 0 | 0 | 111.6 | L131 V132 H133 A134 K220 | L131-T218 HydrophobicContact CD1-CG2 3.42Å; L131-T218 VanDerWaalsContact CD1-CG2 3.42Å; L131-T218 HydrophobicContact CG-CG2 4.04Å; V132-T218 PolarHBondContact O-N 2.96Å; V132-T218 PolarHBondContact O-OG1 2.81Å; H133-T218 CarbonylContact C-O 3.56Å; A134-T218 WeakPolarHBondContact CB-O 3.31Å; A134-T218 PolarHBondContact N-O 2.84Å; T218-K220 PolarHBondContact O-N 2.73Å |
| 219 | G | 66.1 | Low | 77.4 | Confident | 42 Ų | 42 | 59.8 Ų | 59.8 | 43% | 0.433 | 32% | 0.322 | S | S | . | . | trans | 76.7 | 12.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | H133 Y221 | H133-G219 WeakPolarHBondContact NE2-CA 3.14Å; G219-Y221 PolarHBondContact O-N 2.97Å | ||
| 220 | K | 60.5 | Low | 75.8 | Confident | 112 Ų | 112 | 60.1 Ų | 60.1 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -63.2 | -31.4 | 173.3 | -172.1 | -171.6 | -179.8 | -178.2 | 0 | 112.4 | P187 T218 | P187-K220 HydrophobicContact CB-CD 3.85Å; P187-K220 HydrophobicContact CG-CB 4.01Å; P187-K220 HydrophobicContact CG-CD 3.16Å; P187-K220 HydrophobicContact CG-CG 3.5Å; T218-K220 PolarHBondContact O-N 2.73Å |
| 221 | Y | 62.3 | Low | 73.9 | Confident | 84 Ų | 84 | 66.4 Ų | 66.4 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -126.3 | 148.7 | -170.5 | -57.5 | -64.8 | 0 | 0 | 0 | 110.5 | G219 K223 I248 F250 F299 | G219-Y221 PolarHBondContact O-N 2.97Å; Y221-K223 PolarHBondContact O-N 2.94Å; Y221-I248 HydrophobicContact CD1-CD1 3.76Å; Y221-I248 HydrophobicContact CD1-CG2 4.33Å; Y221-I248 HydrophobicContact CG-CD1 4.18Å; Y221-F250 HydrophobicContact CD2-CE1 4.14Å; Y221-F250 HydrophobicContact CG-CE1 4.41Å; Y221-F299 HydrophobicContact CD1-CE2 4.45Å; Y221-F299 AromaticContact CD2-CD2 3.97Å; Y221-F299 HydrophobicContact CD2-CD2 3.97Å; Y221-F299 AromaticContact CD2-CE2 3.34Å; Y221-F299 HydrophobicContact CD2-CE2 3.34Å; Y221-F299 HydrophobicContact CD2-CZ 4.28Å; Y221-F299 HydrophobicContact CE1-CE2 4.2Å; Y221-F299 HydrophobicContact CE1-CZ 4.31Å; Y221-F299 AromaticContact CE2-CD2 3.38Å; Y221-F299 HydrophobicContact CE2-CD2 3.38Å; Y221-F299 AromaticContact CE2-CE2 3.01Å; Y221-F299 HydrophobicContact CE2-CE2 3.01Å; Y221-F299 HydrophobicContact CE2-CG 4.48Å; Y221-F299 AromaticContact CE2-CZ 3.87Å; Y221-F299 HydrophobicContact CE2-CZ 3.87Å; Y221-F299 HydrophobicContact CG-CE2 4.03Å; Y221-F299 AromaticContact CZ-CE2 3.47Å; Y221-F299 VanDerWaalsContact CZ-CE2 3.47Å; Y221-F299 AromaticContact CZ-CZ 3.86Å |
| 222 | K | 64.6 | Low | 72.2 | Confident | 117 Ų | 117 | 64.9 Ų | 64.9 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 130 | 173.8 | -166.3 | -179.7 | -173.5 | 177.9 | 0 | 109.1 | E247 | K222-E247 WeakPolarHBondContact CD-OE2 3.45Å; K222-E247 IonicContact NZ-OE1 3.41Å; K222-E247 PolarHBondContact NZ-OE1 2.76Å; K222-E247 IonicContact NZ-OE2 3.33Å; K222-E247 PolarHBondContact NZ-OE2 3.12Å |
| 223 | K | 69.1 | Low | 70.5 | Confident | 111 Ų | 111 | 68.4 Ų | 68.4 | 48% | 0.483 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 142.8 | 179.4 | 57.5 | 173.2 | 175.4 | 168.2 | 0 | 111.3 | Y221 E317 | Y221-K223 PolarHBondContact O-N 2.94Å; K223-E317 WeakPolarHBondContact CE-OE1 3.28Å; K223-E317 IonicContact NZ-OE1 3.35Å; K223-E317 PolarHBondContact NZ-OE1 3.14Å |
| 224 | P | 74.6 | Confident | 68.9 | Low | 15 Ų | 15 | 67.8 Ų | 67.8 | 10% | 0.097 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 146.2 | 165.9 | 29.8 | -32.3 | 0 | 0 | 0 | 110.1 | C244 S245 | P224-C244 VanDerWaalsContact CB-SG 3.58Å; P224-S245 CarbonylContact C-O 3.5Å; P224-S245 WeakPolarHBondContact CA-O 3.44Å; P224-S245 WeakPolarHBondContact CB-O 3.49Å |
| 225 | S | 81.3 | Confident | 67.7 | Low | 56 Ų | 56 | 74.1 Ų | 74.1 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 146.1 | 171.9 | 56.8 | 0 | 0 | 0 | 0 | 110.6 | C244 S245 | S225-C244 CarbonylContact O-C 3.6Å; S225-C244 WeakPolarHBondContact O-CA 3.06Å; S225-S245 PolarHBondContact N-O 3.07Å; S225-S245 PolarHBondContact O-N 2.64Å; S225-S245 PolarHBondContact OG-O 3.48Å |
| 226 | L | 83.5 | Confident | 66.4 | Low | 27 Ų | 27 | 80.5 Ų | 80.5 | 14% | 0.141 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.6 | 176.2 | -171.5 | 63.3 | 0 | 0 | 0 | 110.1 | L242 F243 C244 L255 C295 | L226-L242 HydrophobicContact CD1-CB 4.02Å; L226-F243 CarbonylContact C-O 3.56Å; L226-F243 WeakPolarHBondContact CA-O 3.31Å; L226-C244 HydrophobicContact CD1-CB 4.36Å; L226-L255 HydrophobicContact CD1-CD1 3.98Å; L226-L255 HydrophobicContact CD2-CD1 4.27Å; L226-C295 HydrophobicContact CD1-CB 4Å |
| 227 | S | 80.9 | Confident | 65.5 | Low | 48 Ų | 48 | 79.6 Ų | 79.6 | 34% | 0.336 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 172.5 | -179.5 | 63.5 | 0 | 0 | 0 | 0 | 112.1 | F243 | S227-F243 PolarHBondContact N-O 3.24Å; S227-F243 PolarHBondContact O-N 2.84Å |
| 228 | T | 76 | Confident | 65.1 | Low | 37 Ų | 37 | 82.3 Ų | 82.3 | 23% | 0.227 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 147.9 | -179.9 | 162.4 | 0 | 0 | 0 | 0 | 108.7 | V230 L319 | T228-V230 VanDerWaalsContact C-N 3.28Å; T228-V230 WeakPolarHBondContact CG2-O 3.32Å; T228-V230 PolarHBondContact OG1-N 2.03Å; T228-V230 VanDerWaalsContact OG1-N 3.08Å; T228-V230 PolarHBondContact OG1-O 2.88Å; T228-V230 VanDerWaalsContact OG1-O 3.07Å; T228-L319 HydrophobicContact CG2-CD1 4.5Å; T228-L319 HydrophobicContact CG2-CD2 3.65Å |
| 229 | Q | 65.4 | Low | 65.1 | Low | 169 Ų | 169 | 85.8 Ų | 85.8 | 79% | 0.79 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -76.2 | -19.7 | 174.8 | -147.1 | 167.5 | 24 | 0 | 0 | 112.8 | F243 | Q229-F243 HydrophobicContact CB-CE2 3.69Å; Q229-F243 HydrophobicContact CB-CZ 4.11Å; Q229-F243 HydrophobicContact CG-CE2 4.36Å |
| 230 | V | 60.7 | Low | 65.4 | Low | 55 Ų | 55 | 84.2 Ų | 84.2 | 33% | 0.333 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -107.6 | 135.2 | -171.2 | -157.1 | 0 | 0 | 0 | 0 | 109 | T228 | T228-V230 VanDerWaalsContact C-N 3.28Å; T228-V230 WeakPolarHBondContact CG2-O 3.32Å; T228-V230 PolarHBondContact OG1-N 2.03Å; T228-V230 VanDerWaalsContact OG1-N 3.08Å; T228-V230 PolarHBondContact OG1-O 2.88Å; T228-V230 VanDerWaalsContact OG1-O 3.07Å |
| 231 | D | 56.2 | Low | 66.3 | Low | 134 Ų | 134 | 80.4 Ų | 80.4 | 72% | 0.717 | 41% | 0.406 | S | S | * | . | trans | -52.3 | 145.8 | 173.7 | -143.1 | -7.2 | 0 | 0 | 0 | 109.8 | M233 | D231-M233 PolarHBondContact O-N 2.87Š| ||
| 232 | P | 54.9 | Low | 67.2 | Low | 66 Ų | 66 | 76.4 Ų | 76.4 | 43% | 0.429 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -62.1 | 5.5 | -172.5 | -23.1 | 34.1 | 0 | 0 | 0 | 116.7 | ||
| 233 | M | 52.2 | Low | 68.3 | Low | 139 Ų | 139 | 72.3 Ų | 72.3 | 69% | 0.685 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 89.3 | -178.8 | -164.5 | 144.3 | 63.2 | 0 | 0 | 109.5 | D231 | D231-M233 PolarHBondContact O-N 2.87Å |
| 234 | M | 53.9 | Low | 68.9 | Low | 14 Ų | 14 | 67 Ų | 67 | 7% | 0.069 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 142.6 | -169.4 | -167.7 | 174.7 | -179.1 | 0 | 0 | 112.2 | E238 L240 A285 | M234-E238 HydrophobicContact CE-CB 3.28Å; M234-E238 WeakPolarHBondContact CE-O 3.34Å; M234-E238 HydrophobicContact CG-CB 4.03Å; M234-E238 WeakPolarHBondContact CG-OE2 3.34Å; M234-L240 HydrophobicContact CE-CB 3.96Å; M234-L240 HydrophobicContact SD-CB 4.17Å; M234-L240 HydrophobicContact SD-CD1 4.42Å; M234-A285 HydrophobicContact CE-CB 4.17Å; M234-A285 HydrophobicContact SD-CB 4.43Å |
| 235 | R | 55.5 | Low | 69.4 | Low | 198 Ų | 198 | 66.9 Ų | 66.9 | 75% | 0.747 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -85.4 | 148.1 | 173.6 | -71.9 | -179.9 | 133.3 | 154.7 | -2.9 | 110.9 | G237 E238 | R235-G237 PolarHBondContact O-N 3.25Å; R235-E238 HydrophobicContact CB-CG 4.43Å; R235-E238 PolarHBondContact N-OE2 3.5Å; R235-E238 VanDerWaalsContact N-OE2 3.1Å; R235-E238 PolarHBondContact O-N 3.43Å |
| 236 | L | 55.5 | Low | 69.2 | Low | 134 Ų | 134 | 64.5 Ų | 64.5 | 70% | 0.702 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 128.1 | 178.1 | -168.3 | 74.4 | 0 | 0 | 0 | 110.4 | A285 T286 | L236-A285 WeakPolarHBondContact CD1-O 3.29Å; L236-T286 HydrophobicContact CD1-CG2 4.27Å; L236-T286 HydrophobicContact CG-CG2 4.33Å |
| 237 | G | 58.9 | Low | 68.9 | Low | 36 Ų | 36 | 69 Ų | 69 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -9.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | R235 A285 | R235-G237 PolarHBondContact O-N 3.25Å; G237-A285 PolarHBondContact N-O 3.16Å; G237-A285 VanDerWaalsContact N-O 3.13Å |
| 238 | E | 64.9 | Low | 68.4 | Low | 83 Ų | 83 | 69.2 Ų | 69.2 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 156.2 | 175.3 | -70.5 | 176 | 157 | 0 | 0 | 111.4 | M234 R235 R284 A285 | M234-E238 HydrophobicContact CE-CB 3.28Å; M234-E238 WeakPolarHBondContact CE-O 3.34Å; M234-E238 HydrophobicContact CG-CB 4.03Å; M234-E238 WeakPolarHBondContact CG-OE2 3.34Å; R235-E238 HydrophobicContact CB-CG 4.43Å; R235-E238 PolarHBondContact N-OE2 3.5Å; R235-E238 VanDerWaalsContact N-OE2 3.1Å; R235-E238 PolarHBondContact O-N 3.43Å; E238-R284 WeakPolarHBondContact O-CA 3.33Å; E238-A285 PolarHBondContact O-N 3.48Å |
| 239 | K | 69.2 | Low | 68.5 | Low | 125 Ų | 125 | 70 Ų | 70 | 54% | 0.543 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118.1 | 178.5 | -176.9 | -177.7 | 175.7 | -173.8 | 0 | 110 | S281 | K239-S281 VanDerWaalsContact CE-OG 3.22Å; K239-S281 WeakPolarHBondContact CE-OG 3.2Å; K239-S281 PolarHBondContact NZ-OG 3.02Å |
| 240 | L | 73.3 | Confident | 68.9 | Low | 9 Ų | 9 | 62.3 Ų | 62.3 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 124.1 | 177.1 | -178.7 | 63.1 | 0 | 0 | 0 | 110.2 | M234 L242 V282 G283 V321 | M234-L240 HydrophobicContact CE-CB 3.96Å; M234-L240 HydrophobicContact SD-CB 4.17Å; M234-L240 HydrophobicContact SD-CD1 4.42Å; L240-L242 HydrophobicContact CD1-CD2 4.31Å; L240-L242 HydrophobicContact CG-CD2 4.49Å; L240-L242 HydrophobicContact CG-CG 4.48Å; L240-V282 HydrophobicContact CB-CB 4.37Å; L240-V282 HydrophobicContact CD2-CB 4.26Å; L240-V282 HydrophobicContact CD2-CG2 4.41Å; L240-V282 HydrophobicContact CG-CB 4.4Å; L240-V282 HydrophobicContact CG-CG2 4.48Å; L240-V282 PolarHBondContact O-N 3.13Å; L240-G283 PolarHBondContact N-O 3.1Å; L240-G283 VanDerWaalsContact N-O 3.16Å; L240-V321 HydrophobicContact CD2-CG2 4.44Å |
| 241 | T | 78.6 | Confident | 69.3 | Low | 32 Ų | 32 | 62.5 Ų | 62.5 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.7 | 171.4 | -52.3 | 0 | 0 | 0 | 0 | 109.2 | F243 N279 F280 | T241-F243 HydrophobicContact CG2-CD1 4.23Å; T241-F243 HydrophobicContact CG2-CE1 3.72Å; T241-F243 HydrophobicContact CG2-CZ 4.24Å; T241-N279 HydrophobicContact CG2-CB 4.42Å; T241-F280 CarbonylContact C-O 3.59Å; T241-F280 WeakPolarHBondContact CA-O 3.26Å |
| 242 | L | 82.6 | Confident | 70.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 133.8 | 175 | -64.5 | 177.3 | 0 | 0 | 0 | 109.5 | L226 L240 L255 F280 V282 Y293 L319 | L226-L242 HydrophobicContact CD1-CB 4.02Å; L240-L242 HydrophobicContact CD1-CD2 4.31Å; L240-L242 HydrophobicContact CG-CD2 4.49Å; L240-L242 HydrophobicContact CG-CG 4.48Å; L242-L255 HydrophobicContact CD1-CD1 3.98Å; L242-L255 HydrophobicContact CD1-CD2 3.92Å; L242-F280 PolarHBondContact N-O 3.17Å; L242-F280 PolarHBondContact O-N 2.89Å; L242-V282 HydrophobicContact CD1-CG2 3.96Å; L242-V282 HydrophobicContact CG-CG2 4.11Å; L242-Y293 HydrophobicContact CD1-CD1 3.64Å; L242-Y293 HydrophobicContact CD1-CD2 4.15Å; L242-Y293 HydrophobicContact CD1-CE1 4.22Å; L242-Y293 HydrophobicContact CD1-CG 3.6Å; L242-L319 HydrophobicContact CD2-CD2 3.86Å |
| 243 | F | 86.2 | Confident | 71.1 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 13% | 0.132 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.9 | 178.7 | -52.7 | -60.9 | 0 | 0 | 0 | 109.6 | L226 S227 Q229 T241 Q277 N279 | L226-F243 CarbonylContact C-O 3.56Å; L226-F243 WeakPolarHBondContact CA-O 3.31Å; S227-F243 PolarHBondContact N-O 3.24Å; S227-F243 PolarHBondContact O-N 2.84Å; Q229-F243 HydrophobicContact CB-CE2 3.69Å; Q229-F243 HydrophobicContact CB-CZ 4.11Å; Q229-F243 HydrophobicContact CG-CE2 4.36Å; T241-F243 HydrophobicContact CG2-CD1 4.23Å; T241-F243 HydrophobicContact CG2-CE1 3.72Å; T241-F243 HydrophobicContact CG2-CZ 4.24Å; F243-Q277 HydrophobicContact CB-CG 4.14Å; F243-N279 HydrophobicContact CD1-CB 4.34Å; F243-N279 VanDerWaalsContact CD1-OD1 3.27Å; F243-N279 WeakPolarHBondContact CD1-OD1 3.47Å |
| 244 | C | 83 | Confident | 72.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 112.8 | 173.8 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | P224 S225 L226 Y253 Q277 A278 F280 C295 | P224-C244 VanDerWaalsContact CB-SG 3.58Å; S225-C244 CarbonylContact O-C 3.6Å; S225-C244 WeakPolarHBondContact O-CA 3.06Å; L226-C244 HydrophobicContact CD1-CB 4.36Å; C244-Y253 HydrophobicContact CB-CD1 4.34Å; C244-Q277 CarbonylContact O-C 3.5Å; C244-Q277 VanDerWaalsContact O-CA 3.28Å; C244-Q277 WeakPolarHBondContact O-CA 3.21Å; C244-A278 PolarHBondContact N-O 2.94Å; C244-A278 PolarHBondContact O-N 2.91Å; C244-F280 HydrophobicContact CB-CD2 4.4Å; C244-F280 HydrophobicContact CB-CE2 4.02Å; C244-C295 HydrophobicContact CB-CB 3.74Å; C244-C295 WeakPolarHBondContact CB-SG 3.46Å; C244-C295 WeakPolarHBondContact SG-CB 2.93Å; C244-C295 CovalentContact SG-SG 1.99Å; C244-C295 PolarHBondContact SG-SG 2.84Å |
| 245 | S | 84.5 | Confident | 73.3 | Confident | 13 Ų | 13 | 48.6 Ų | 48.6 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139.8 | -168.3 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | P224 S225 F276 Q277 | P224-S245 CarbonylContact C-O 3.5Å; P224-S245 WeakPolarHBondContact CA-O 3.44Å; P224-S245 WeakPolarHBondContact CB-O 3.49Å; S225-S245 PolarHBondContact N-O 3.07Å; S225-S245 PolarHBondContact O-N 2.64Å; S225-S245 PolarHBondContact OG-O 3.48Å; S245-F276 CarbonylContact C-O 3.54Å; S245-F276 VanDerWaalsContact CA-O 3.31Å; S245-F276 WeakPolarHBondContact CA-O 3.46Å; S245-Q277 WeakPolarHBondContact OG-CG 3.25Å; S245-Q277 PolarHBondContact OG-OE1 2.82Å |
| 246 | S | 76.5 | Confident | 74 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 151.1 | 174.4 | -174.3 | 0 | 0 | 0 | 0 | 111.3 | I248 F250 A275 F276 | S246-I248 WeakPolarHBondContact CB-O 3.11Å; S246-I248 PolarHBondContact O-N 3Å; S246-I248 PolarHBondContact OG-N 2.78Å; S246-I248 PolarHBondContact OG-O 3.36Å; S246-F250 WeakPolarHBondContact OG-CE2 3.29Å; S246-A275 CarbonylContact O-C 3.59Å; S246-A275 WeakPolarHBondContact O-CA 3.27Å; S246-A275 WeakPolarHBondContact O-CB 3.49Å; S246-F276 PolarHBondContact N-O 2.92Å; S246-F276 PolarHBondContact O-N 3.44Å |
| 247 | E | 78.2 | Confident | 74.8 | Confident | 121 Ų | 121 | 39.2 Ų | 39.2 | 57% | 0.565 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -66.6 | -17.5 | 169.9 | -70.9 | 165.1 | -163.4 | 0 | 0 | 112.1 | K222 | K222-E247 WeakPolarHBondContact CD-OE2 3.45Å; K222-E247 IonicContact NZ-OE1 3.41Å; K222-E247 PolarHBondContact NZ-OE1 2.76Å; K222-E247 IonicContact NZ-OE2 3.33Å; K222-E247 PolarHBondContact NZ-OE2 3.12Å |
| 248 | I | 70.5 | Confident | 75.2 | Confident | 54 Ų | 54 | 43.2 Ų | 43.2 | 28% | 0.277 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -113.1 | 135.2 | -176.2 | -56.2 | 167.7 | 0 | 0 | 0 | 108.8 | Y221 S246 F250 Y253 F276 F299 | Y221-I248 HydrophobicContact CD1-CD1 3.76Å; Y221-I248 HydrophobicContact CD1-CG2 4.33Å; Y221-I248 HydrophobicContact CG-CD1 4.18Å; S246-I248 WeakPolarHBondContact CB-O 3.11Å; S246-I248 PolarHBondContact O-N 3Å; S246-I248 PolarHBondContact OG-N 2.78Å; S246-I248 PolarHBondContact OG-O 3.36Å; I248-F250 WeakPolarHBondContact O-CD2 3.32Å; I248-F250 PolarHBondContact O-N 2.96Å; I248-Y253 PolarHBondContact O-OH 2.69Å; I248-F276 VanDerWaalsContact C-CD2 3.47Å; I248-F299 HydrophobicContact CG2-CZ 3.81Å |
| 249 | S | 78.6 | Confident | 75 | Confident | 52 Ų | 52 | 43.1 Ų | 43.1 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | trans | -71.6 | 110.2 | 174 | 172.2 | 0 | 0 | 0 | 0 | 109.6 | F299 | S249-F299 WeakPolarHBondContact O-CE1 3.42Å; S249-F299 VanDerWaalsContact O-CZ 3.25Å; S249-F299 WeakPolarHBondContact O-CZ 3.07Å | ||
| 250 | F | 72.8 | Confident | 74.7 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 4% | 0.039 | 22% | 0.223 | C | C | . | . | trans | -90.1 | 148.1 | 167.2 | -64.5 | -82.4 | 0 | 0 | 0 | 110.6 | Y221 S246 I248 Q252 Y253 G297 F299 | Y221-F250 HydrophobicContact CD2-CE1 4.14Å; Y221-F250 HydrophobicContact CG-CE1 4.41Å; S246-F250 WeakPolarHBondContact OG-CE2 3.29Å; I248-F250 WeakPolarHBondContact O-CD2 3.32Å; I248-F250 PolarHBondContact O-N 2.96Å; F250-Q252 VanDerWaalsContact C-N 3.3Å; F250-Y253 HydrophobicContact CB-CD2 4.29Å; F250-Y253 HydrophobicContact CB-CE1 4.44Å; F250-Y253 HydrophobicContact CB-CE2 3.78Å; F250-Y253 AromaticContact CD2-CE1 3.81Å; F250-Y253 HydrophobicContact CD2-CE1 3.81Å; F250-Y253 AromaticContact CD2-CZ 3.77Å; F250-Y253 PolarHBondContact N-OH 3.36Å; F250-Y253 WeakPolarHBondContact O-CE2 2.8Å; F250-G297 VanDerWaalsContact CG-CA 3.48Å; F250-F299 AromaticContact CD1-CD2 3.78Å; F250-F299 HydrophobicContact CD1-CD2 3.78Å; F250-F299 AromaticContact CD1-CE2 3.25Å; F250-F299 HydrophobicContact CD1-CE2 3.25Å; F250-F299 AromaticContact CD1-CZ 3.79Å; F250-F299 HydrophobicContact CD1-CZ 3.79Å; F250-F299 HydrophobicContact CE1-CD2 4.18Å; F250-F299 AromaticContact CE1-CE2 3.46Å; F250-F299 HydrophobicContact CE1-CE2 3.46Å; F250-F299 VanDerWaalsContact CE1-CE2 3.46Å; F250-F299 HydrophobicContact CE1-CZ 4.18Å; F250-F299 HydrophobicContact CG-CE2 4.28Å; F250-F299 HydrophobicContact CG-CZ 4.44Å | ||
| 251 | D | 70.1 | Confident | 73.3 | Confident | 58 Ų | 58 | 43.6 Ų | 43.6 | 31% | 0.31 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -70.4 | -29.8 | 175.6 | -63.2 | -44.6 | 0 | 0 | 0 | 111.9 | G268 S298 F299 N300 | D251-G268 PolarHBondContact O-N 2.85Å; D251-S298 PolarHBondContact N-O 2.94Å; D251-F299 WeakPolarHBondContact OD2-CA 3.29Å; D251-F299 WeakPolarHBondContact OD2-CB 3.48Å; D251-N300 HydrophobicContact CB-CB 4.28Å; D251-N300 PolarHBondContact OD2-N 2.68Å |
| 252 | Q | 72.8 | Confident | 72.1 | Confident | 39 Ų | 39 | 49 Ų | 49 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 140.6 | 176.5 | -55.8 | 176.3 | 10.3 | 0 | 0 | 110.8 | F250 L266 G297 S298 N300 | F250-Q252 VanDerWaalsContact C-N 3.3Å; Q252-L266 WeakPolarHBondContact CA-O 3.44Å; Q252-G297 CarbonylContact O-C 3.6Å; Q252-G297 WeakPolarHBondContact O-CA 3.47Å; Q252-S298 PolarHBondContact N-O 3.32Å; Q252-S298 PolarHBondContact O-N 2.89Å; Q252-N300 PolarHBondContact NE2-OD1 3.33Å; Q252-N300 VanDerWaalsContact NE2-OD1 3.17Å |
| 253 | Y | 75.8 | Confident | 71 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 140.2 | 171.1 | -69.4 | -101.5 | 0 | 0 | 0 | 109.1 | C244 I248 F250 W265 L266 G269 F276 A278 F280 Y296 | C244-Y253 HydrophobicContact CB-CD1 4.34Å; I248-Y253 PolarHBondContact O-OH 2.69Å; F250-Y253 HydrophobicContact CB-CD2 4.29Å; F250-Y253 HydrophobicContact CB-CE1 4.44Å; F250-Y253 HydrophobicContact CB-CE2 3.78Å; F250-Y253 AromaticContact CD2-CE1 3.81Å; F250-Y253 HydrophobicContact CD2-CE1 3.81Å; F250-Y253 AromaticContact CD2-CZ 3.77Å; F250-Y253 PolarHBondContact N-OH 3.36Å; F250-Y253 WeakPolarHBondContact O-CE2 2.8Å; Y253-W265 CarbonylContact O-C 3.52Å; Y253-W265 VanDerWaalsContact O-CA 3.26Å; Y253-W265 WeakPolarHBondContact O-CA 3.34Å; Y253-L266 PolarHBondContact N-O 2.84Å; Y253-L266 PolarHBondContact O-N 2.56Å; Y253-G269 VanDerWaalsContact CE2-N 3.34Å; Y253-F276 VanDerWaalsContact OH-CB 3.28Å; Y253-F276 WeakPolarHBondContact OH-CB 3.16Å; Y253-A278 HydrophobicContact CD1-CB 4.09Å; Y253-A278 HydrophobicContact CD2-CB 3.87Å; Y253-A278 HydrophobicContact CG-CB 3.56Å; Y253-F280 WeakPolarHBondContact O-CZ 3.27Å; Y253-Y296 CarbonylContact C-O 3.58Å; Y253-Y296 WeakPolarHBondContact CA-O 3.04Å |
| 254 | H | 74.7 | Confident | 70.2 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.8 | -176.6 | -54.2 | -90.4 | 0 | 0 | 0 | 110.2 | F256 Q264 C295 Y296 S298 | H254-F256 HydrophobicContact CB-CD2 4.24Å; H254-F256 HydrophobicContact CB-CE2 3.54Å; H254-F256 HydrophobicContact CB-CZ 4.26Å; H254-Q264 CarbonylContact C-O 3.52Å; H254-Q264 WeakPolarHBondContact CA-O 3.12Å; H254-C295 CarbonylContact O-C 3.55Å; H254-C295 WeakPolarHBondContact O-CA 3.5Å; H254-C295 PolarHBondContact O-SG 3.09Å; H254-Y296 PolarHBondContact N-O 2.81Å; H254-Y296 PolarHBondContact O-N 3.37Å; H254-S298 PolarHBondContact NE2-OG 2.9Å |
| 255 | L | 77.1 | Confident | 69.4 | Low | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.7 | 174.6 | -175.8 | 78 | 0 | 0 | 0 | 110 | L226 L242 G263 Q264 F280 V282 Y293 R294 C295 | L226-L255 HydrophobicContact CD1-CD1 3.98Å; L226-L255 HydrophobicContact CD2-CD1 4.27Å; L242-L255 HydrophobicContact CD1-CD1 3.98Å; L242-L255 HydrophobicContact CD1-CD2 3.92Å; L255-G263 CarbonylContact O-C 3.56Å; L255-G263 VanDerWaalsContact O-CA 3.24Å; L255-G263 WeakPolarHBondContact O-CA 3.49Å; L255-Q264 PolarHBondContact N-O 2.89Å; L255-Q264 PolarHBondContact O-N 3.07Å; L255-F280 HydrophobicContact CB-CB 4.43Å; L255-F280 HydrophobicContact CB-CD1 3.62Å; L255-F280 HydrophobicContact CB-CD2 3.95Å; L255-F280 HydrophobicContact CB-CE1 3.74Å; L255-F280 HydrophobicContact CB-CE2 4.06Å; L255-F280 HydrophobicContact CB-CG 3.73Å; L255-F280 HydrophobicContact CB-CZ 3.96Å; L255-F280 HydrophobicContact CD2-CB 3.53Å; L255-F280 HydrophobicContact CD2-CD1 4.17Å; L255-F280 HydrophobicContact CD2-CD2 4.41Å; L255-F280 HydrophobicContact CD2-CG 3.79Å; L255-F280 HydrophobicContact CG-CB 4.48Å; L255-F280 HydrophobicContact CG-CG 4.26Å; L255-V282 HydrophobicContact CD2-CG2 4.16Å; L255-Y293 HydrophobicContact CD2-CD1 4.33Å; L255-R294 WeakPolarHBondContact CA-O 3.24Å; L255-C295 HydrophobicContact CD1-CB 4.46Å |
| 256 | F | 70.8 | Confident | 68.8 | Low | 71 Ų | 71 | 63.3 Ų | 63.3 | 31% | 0.311 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 145 | 177.1 | -66 | -87.8 | 0 | 0 | 0 | 111.4 | H254 Y293 R294 Y296 | H254-F256 HydrophobicContact CB-CD2 4.24Å; H254-F256 HydrophobicContact CB-CE2 3.54Å; H254-F256 HydrophobicContact CB-CZ 4.26Å; F256-Y293 CarbonylContact O-C 3.55Å; F256-Y293 WeakPolarHBondContact O-CA 3.19Å; F256-R294 PolarHBondContact N-O 3.09Å; F256-R294 PolarHBondContact O-N 3.27Å; F256-Y296 AromaticContact CD2-CD2 3.6Å; F256-Y296 HydrophobicContact CD2-CD2 3.6Å; F256-Y296 AromaticContact CD2-CE2 3.66Å; F256-Y296 HydrophobicContact CD2-CE2 3.66Å; F256-Y296 AromaticContact CE2-CD2 3.89Å; F256-Y296 HydrophobicContact CE2-CD2 3.89Å; F256-Y296 HydrophobicContact CE2-CE2 4.27Å |
| 257 | R | 71.7 | Confident | 68.2 | Low | 63 Ų | 63 | 67.9 Ų | 67.9 | 24% | 0.238 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131.3 | 171.5 | -174.8 | 177.9 | 172.1 | -115.1 | -10.8 | 109.9 | G259 V260 P289 G290 Y293 | R257-G259 PolarHBondContact O-N 3.16Å; R257-V260 HydrophobicContact CB-CB 4.4Å; R257-V260 HydrophobicContact CB-CG2 4.21Å; R257-V260 HydrophobicContact CG-CG2 4.21Å; R257-V260 PolarHBondContact O-N 2.93Å; R257-V260 VanDerWaalsContact O-N 3.17Å; R257-P289 PolarHBondContact NE-O 3.4Å; R257-P289 PolarHBondContact NH2-O 2.97Å; R257-P289 VanDerWaalsContact NH2-O 3.11Å; R257-G290 PolarHBondContact NH2-O 3.33Å; R257-Y293 HydrophobicContact CB-CD1 3.96Å; R257-Y293 HydrophobicContact CB-CE1 3.84Å; R257-Y293 WeakPolarHBondContact CD-OH 3.42Å; R257-Y293 HydrophobicContact CG-CD1 4.17Å; R257-Y293 HydrophobicContact CG-CE1 3.82Å |
| 258 | H | 67.5 | Low | 67.5 | Low | 120 Ų | 120 | 63.8 Ų | 63.8 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 130.6 | 177.4 | -164.9 | 106.2 | 0 | 0 | 0 | 111 | V260 T292 | H258-V260 VanDerWaalsContact C-N 3.35Å; H258-T292 HydrophobicContact CB-CG2 4.39Å; H258-T292 WeakPolarHBondContact CB-O 3.18Å; H258-T292 PolarHBondContact N-O 3.12Å |
| 259 | G | 60.4 | Low | 67.5 | Low | 81 Ų | 81 | 62 Ų | 62 | 84% | 0.835 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 1.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R257 | R257-G259 PolarHBondContact O-N 3.16Š|
| 260 | V | 63.2 | Low | 67.4 | Low | 66 Ų | 66 | 66.3 Ų | 66.3 | 40% | 0.4 | 37% | 0.371 | S | S | . | . | trans | -112.4 | 129.1 | 173.9 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | R257 H258 H262 | R257-V260 HydrophobicContact CB-CB 4.4Å; R257-V260 HydrophobicContact CB-CG2 4.21Å; R257-V260 HydrophobicContact CG-CG2 4.21Å; R257-V260 PolarHBondContact O-N 2.93Å; R257-V260 VanDerWaalsContact O-N 3.17Å; H258-V260 VanDerWaalsContact C-N 3.35Å; V260-H262 VanDerWaalsContact C-N 3.3Å; V260-H262 PolarHBondContact O-N 3.07Å | ||
| 261 | A | 44.3 | Very low | 67.4 | Low | 79 Ų | 79 | 75.4 Ų | 75.4 | 65% | 0.653 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -70.5 | -22 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 262 | H | 53.4 | Low | 67.4 | Low | 144 Ų | 144 | 77.7 Ų | 77.7 | 67% | 0.667 | 41% | 0.414 | S | S | * | . | trans | -117.7 | 124.1 | -176 | -61.7 | 87.2 | 0 | 0 | 0 | 110.7 | V260 | V260-H262 VanDerWaalsContact C-N 3.3Å; V260-H262 PolarHBondContact O-N 3.07Å | ||
| 263 | G | 59.8 | Low | 67.4 | Low | 16 Ų | 16 | 86.2 Ų | 86.2 | 17% | 0.165 | 45% | 0.445 | C | S | . | . | trans | -90.7 | 167 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L255 | L255-G263 CarbonylContact O-C 3.56Å; L255-G263 VanDerWaalsContact O-CA 3.24Å; L255-G263 WeakPolarHBondContact O-CA 3.49Å | ||
| 264 | Q | 69.2 | Low | 67.3 | Low | 92 Ų | 92 | 95 Ų | 95 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 149.3 | 168.7 | -69.3 | 178.1 | -37.5 | 0 | 0 | 109.4 | H254 L255 F280 | H254-Q264 CarbonylContact C-O 3.52Å; H254-Q264 WeakPolarHBondContact CA-O 3.12Å; L255-Q264 PolarHBondContact N-O 2.89Å; L255-Q264 PolarHBondContact O-N 3.07Å; Q264-F280 HydrophobicContact CB-CD1 3.97Å; Q264-F280 HydrophobicContact CB-CE1 4.2Å |
| 265 | W | 65.3 | Low | 67.5 | Low | 169 Ų | 169 | 95.4 Ų | 95.4 | 64% | 0.64 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 151.8 | 173.5 | 61.7 | 85 | 0 | 0 | 0 | 111.4 | Y253 | Y253-W265 CarbonylContact O-C 3.52Å; Y253-W265 VanDerWaalsContact O-CA 3.26Å; Y253-W265 WeakPolarHBondContact O-CA 3.34Å |
| 266 | L | 71.8 | Confident | 67.8 | Low | 67 Ų | 67 | 97.7 Ų | 97.7 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 135.7 | 175.4 | -69.1 | 173.1 | 0 | 0 | 0 | 109.3 | Q252 Y253 A278 N279 F280 | Q252-L266 WeakPolarHBondContact CA-O 3.44Å; Y253-L266 PolarHBondContact N-O 2.84Å; Y253-L266 PolarHBondContact O-N 2.56Å; L266-A278 HydrophobicContact CB-CB 4.46Å; L266-A278 HydrophobicContact CD1-CB 4.28Å; L266-N279 VanDerWaalsContact CD1-O 3.25Å; L266-N279 WeakPolarHBondContact CD1-O 3.21Å; L266-F280 HydrophobicContact CB-CE1 4.19Å; L266-F280 HydrophobicContact CB-CZ 4.19Å; L266-F280 HydrophobicContact CD1-CD1 3.85Å; L266-F280 HydrophobicContact CD1-CD2 4.37Å; L266-F280 HydrophobicContact CD1-CE1 3.78Å; L266-F280 HydrophobicContact CD1-CE2 4.3Å; L266-F280 HydrophobicContact CD1-CG 4.15Å; L266-F280 HydrophobicContact CD1-CZ 4.01Å; L266-F280 HydrophobicContact CG-CD1 4.09Å; L266-F280 HydrophobicContact CG-CE1 3.66Å; L266-F280 HydrophobicContact CG-CZ 4.08Å |
| 267 | S | 63.8 | Low | 68.5 | Low | 101 Ų | 101 | 95.7 Ų | 95.7 | 71% | 0.706 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 123.3 | 174.8 | -60.8 | 0 | 0 | 0 | 0 | 110 | ||
| 268 | G | 64.9 | Low | 69.2 | Low | 36 Ų | 36 | 92.9 Ų | 92.9 | 37% | 0.371 | 48% | 0.484 | S | S | . | . | S | Bend | trans | 69.7 | 140.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D251 | D251-G268 PolarHBondContact O-N 2.85Š|
| 269 | G | 69.4 | Low | 70.2 | Confident | 17 Ų | 17 | 90.2 Ų | 90.2 | 18% | 0.175 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 136.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y253 Q277 | Y253-G269 VanDerWaalsContact CE2-N 3.34Å; G269-Q277 CarbonylContact C-O 3.5Å; G269-Q277 WeakPolarHBondContact CA-O 3.21Å |
| 270 | Q | 76 | Confident | 71.3 | Confident | 141 Ų | 141 | 86.6 Ų | 86.6 | 66% | 0.659 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 135.8 | 169.1 | -70.6 | -179.1 | -28.9 | 0 | 0 | 109.3 | H272 Q277 | Q270-H272 PolarHBondContact O-N 3.02Å; Q270-Q277 PolarHBondContact N-O 2.71Å; Q270-Q277 PolarHBondContact O-N 2.83Å |
| 271 | R | 73.5 | Confident | 72.1 | Confident | 200 Ų | 200 | 86 Ų | 86 | 76% | 0.755 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 117.9 | 174.2 | -171.3 | 176.8 | -179.4 | 176.9 | 2.1 | 108.9 | F276 | R271-F276 HydrophobicContact CB-CD1 4.38Å; R271-F276 HydrophobicContact CB-CE1 4.33Å; R271-F276 HydrophobicContact CG-CE1 4.46Å |
| 272 | H | 69.3 | Low | 73.4 | Confident | 107 Ų | 107 | 83.6 Ų | 83.6 | 50% | 0.495 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 105.7 | 177.9 | -168.7 | -94.7 | 0 | 0 | 0 | 108.9 | Q270 E274 A275 Q277 | Q270-H272 PolarHBondContact O-N 3.02Å; H272-E274 PolarHBondContact O-N 3.08Å; H272-A275 CarbonylContact C-O 3.6Å; H272-A275 PolarHBondContact N-O 3.01Å; H272-A275 PolarHBondContact O-N 3.13Å; H272-Q277 HydrophobicContact CB-CB 4.35Å |
| 273 | R | 74.1 | Confident | 73.8 | Confident | 218 Ų | 218 | 78.2 Ų | 78.2 | 82% | 0.823 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | -124.5 | -168.5 | -54.9 | -179 | 179.7 | 179.9 | -1 | 112.1 | ||
| 274 | E | 72.6 | Confident | 73.6 | Confident | 184 Ų | 184 | 86.6 Ų | 86.6 | 86% | 0.86 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 5 | -179.6 | -63.6 | -178.9 | 177.4 | 0 | 0 | 113.4 | H272 | H272-E274 PolarHBondContact O-N 3.08Š|
| 275 | A | 79.3 | Confident | 72.9 | Confident | 26 Ų | 26 | 82.3 Ų | 82.3 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 157.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | S246 H272 | S246-A275 CarbonylContact O-C 3.59Å; S246-A275 WeakPolarHBondContact O-CA 3.27Å; S246-A275 WeakPolarHBondContact O-CB 3.49Å; H272-A275 CarbonylContact C-O 3.6Å; H272-A275 PolarHBondContact N-O 3.01Å; H272-A275 PolarHBondContact O-N 3.13Å |
| 276 | F | 82.9 | Confident | 72.1 | Confident | 54 Ų | 54 | 78.9 Ų | 78.9 | 24% | 0.237 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 130.2 | 168.9 | -61.1 | -87.7 | 0 | 0 | 0 | 108.8 | S245 S246 I248 Y253 R271 | S245-F276 CarbonylContact C-O 3.54Å; S245-F276 VanDerWaalsContact CA-O 3.31Å; S245-F276 WeakPolarHBondContact CA-O 3.46Å; S246-F276 PolarHBondContact N-O 2.92Å; S246-F276 PolarHBondContact O-N 3.44Å; I248-F276 VanDerWaalsContact C-CD2 3.47Å; Y253-F276 VanDerWaalsContact OH-CB 3.28Å; Y253-F276 WeakPolarHBondContact OH-CB 3.16Å; R271-F276 HydrophobicContact CB-CD1 4.38Å; R271-F276 HydrophobicContact CB-CE1 4.33Å; R271-F276 HydrophobicContact CG-CE1 4.46Å |
| 277 | Q | 86.3 | Confident | 71 | Confident | 29 Ų | 29 | 81.6 Ų | 81.6 | 14% | 0.136 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 133.5 | -170.8 | -174.3 | 176.9 | -63.3 | 0 | 0 | 112.1 | F243 C244 S245 G269 Q270 H272 N279 | F243-Q277 HydrophobicContact CB-CG 4.14Å; C244-Q277 CarbonylContact O-C 3.5Å; C244-Q277 VanDerWaalsContact O-CA 3.28Å; C244-Q277 WeakPolarHBondContact O-CA 3.21Å; S245-Q277 WeakPolarHBondContact OG-CG 3.25Å; S245-Q277 PolarHBondContact OG-OE1 2.82Å; G269-Q277 CarbonylContact C-O 3.5Å; G269-Q277 WeakPolarHBondContact CA-O 3.21Å; Q270-Q277 PolarHBondContact N-O 2.71Å; Q270-Q277 PolarHBondContact O-N 2.83Å; H272-Q277 HydrophobicContact CB-CB 4.35Å; Q277-N279 WeakPolarHBondContact CG-OD1 3.3Å; Q277-N279 PolarHBondContact NE2-OD1 2.92Å |
| 278 | A | 86.3 | Confident | 70.4 | Confident | 4 Ų | 4 | 77.9 Ų | 77.9 | 3% | 0.033 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 134.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | C244 Y253 L266 F280 | C244-A278 PolarHBondContact N-O 2.94Å; C244-A278 PolarHBondContact O-N 2.91Å; Y253-A278 HydrophobicContact CD1-CB 4.09Å; Y253-A278 HydrophobicContact CD2-CB 3.87Å; Y253-A278 HydrophobicContact CG-CB 3.56Å; L266-A278 HydrophobicContact CB-CB 4.46Å; L266-A278 HydrophobicContact CD1-CB 4.28Å; A278-F280 HydrophobicContact CB-CE2 3.81Å; A278-F280 HydrophobicContact CB-CZ 4.3Å |
| 279 | N | 88.1 | Confident | 70 | Confident | 64 Ų | 64 | 78.2 Ų | 78.2 | 34% | 0.342 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 107 | -172.9 | -59.4 | -16.9 | 0 | 0 | 0 | 110.4 | T241 F243 L266 Q277 | T241-N279 HydrophobicContact CG2-CB 4.42Å; F243-N279 HydrophobicContact CD1-CB 4.34Å; F243-N279 VanDerWaalsContact CD1-OD1 3.27Å; F243-N279 WeakPolarHBondContact CD1-OD1 3.47Å; L266-N279 VanDerWaalsContact CD1-O 3.25Å; L266-N279 WeakPolarHBondContact CD1-O 3.21Å; Q277-N279 WeakPolarHBondContact CG-OD1 3.3Å; Q277-N279 PolarHBondContact NE2-OD1 2.92Å |
| 280 | F | 83.1 | Confident | 69.3 | Low | 4 Ų | 4 | 79.2 Ų | 79.2 | 2% | 0.018 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 115.8 | -179.3 | -65.9 | -88.3 | 0 | 0 | 0 | 111.1 | T241 L242 C244 Y253 L255 Q264 L266 A278 | T241-F280 CarbonylContact C-O 3.59Å; T241-F280 WeakPolarHBondContact CA-O 3.26Å; L242-F280 PolarHBondContact N-O 3.17Å; L242-F280 PolarHBondContact O-N 2.89Å; C244-F280 HydrophobicContact CB-CD2 4.4Å; C244-F280 HydrophobicContact CB-CE2 4.02Å; Y253-F280 WeakPolarHBondContact O-CZ 3.27Å; L255-F280 HydrophobicContact CB-CB 4.43Å; L255-F280 HydrophobicContact CB-CD1 3.62Å; L255-F280 HydrophobicContact CB-CD2 3.95Å; L255-F280 HydrophobicContact CB-CE1 3.74Å; L255-F280 HydrophobicContact CB-CE2 4.06Å; L255-F280 HydrophobicContact CB-CG 3.73Å; L255-F280 HydrophobicContact CB-CZ 3.96Å; L255-F280 HydrophobicContact CD2-CB 3.53Å; L255-F280 HydrophobicContact CD2-CD1 4.17Å; L255-F280 HydrophobicContact CD2-CD2 4.41Å; L255-F280 HydrophobicContact CD2-CG 3.79Å; L255-F280 HydrophobicContact CG-CB 4.48Å; L255-F280 HydrophobicContact CG-CG 4.26Å; Q264-F280 HydrophobicContact CB-CD1 3.97Å; Q264-F280 HydrophobicContact CB-CE1 4.2Å; L266-F280 HydrophobicContact CB-CE1 4.19Å; L266-F280 HydrophobicContact CB-CZ 4.19Å; L266-F280 HydrophobicContact CD1-CD1 3.85Å; L266-F280 HydrophobicContact CD1-CD2 4.37Å; L266-F280 HydrophobicContact CD1-CE1 3.78Å; L266-F280 HydrophobicContact CD1-CE2 4.3Å; L266-F280 HydrophobicContact CD1-CG 4.15Å; L266-F280 HydrophobicContact CD1-CZ 4.01Å; L266-F280 HydrophobicContact CG-CD1 4.09Å; L266-F280 HydrophobicContact CG-CE1 3.66Å; L266-F280 HydrophobicContact CG-CZ 4.08Å; A278-F280 HydrophobicContact CB-CE2 3.81Å; A278-F280 HydrophobicContact CB-CZ 4.3Å |
| 281 | S | 80.1 | Confident | 68.9 | Low | 54 Ų | 54 | 73.6 Ų | 73.6 | 38% | 0.378 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 113.9 | 172.1 | -70.3 | 0 | 0 | 0 | 0 | 110.2 | K239 | K239-S281 VanDerWaalsContact CE-OG 3.22Å; K239-S281 WeakPolarHBondContact CE-OG 3.2Å; K239-S281 PolarHBondContact NZ-OG 3.02Å |
| 282 | V | 71.6 | Confident | 68.7 | Low | 29 Ų | 29 | 65.3 Ų | 65.3 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -6.3 | -176.1 | -168.7 | 0 | 0 | 0 | 0 | 112.4 | L240 L242 L255 V288 Y293 | L240-V282 HydrophobicContact CB-CB 4.37Å; L240-V282 HydrophobicContact CD2-CB 4.26Å; L240-V282 HydrophobicContact CD2-CG2 4.41Å; L240-V282 HydrophobicContact CG-CB 4.4Å; L240-V282 HydrophobicContact CG-CG2 4.48Å; L240-V282 PolarHBondContact O-N 3.13Å; L242-V282 HydrophobicContact CD1-CG2 3.96Å; L242-V282 HydrophobicContact CG-CG2 4.11Å; L255-V282 HydrophobicContact CD2-CG2 4.16Å; V282-V288 HydrophobicContact CG1-CG1 3.92Å; V282-Y293 HydrophobicContact CG1-CE1 3.96Å; V282-Y293 HydrophobicContact CG2-CE1 4.47Å |
| 283 | G | 62.3 | Low | 69 | Low | 30 Ų | 30 | 60.5 Ų | 60.5 | 31% | 0.309 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 107.4 | -179.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L240 | L240-G283 PolarHBondContact N-O 3.1Å; L240-G283 VanDerWaalsContact N-O 3.16Å |
| 284 | R | 56.1 | Low | 69 | Low | 192 Ų | 192 | 52.5 Ų | 52.5 | 73% | 0.725 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 133.7 | 175.1 | -72.4 | -175.7 | -176.3 | 170.5 | 0.9 | 110.3 | E238 T286 V288 | E238-R284 WeakPolarHBondContact O-CA 3.33Å; R284-T286 VanDerWaalsContact C-N 3.29Å; R284-T286 PolarHBondContact O-N 3.46Å; R284-V288 VanDerWaalsContact C-CG2 3.44Å; R284-V288 WeakPolarHBondContact O-CG2 3.05Å |
| 285 | A | 53.4 | Low | 69.1 | Low | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -64.7 | 77.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | M234 L236 G237 E238 V288 | M234-A285 HydrophobicContact CE-CB 4.17Å; M234-A285 HydrophobicContact SD-CB 4.43Å; L236-A285 WeakPolarHBondContact CD1-O 3.29Å; G237-A285 PolarHBondContact N-O 3.16Å; G237-A285 VanDerWaalsContact N-O 3.13Å; E238-A285 PolarHBondContact O-N 3.48Å; A285-V288 HydrophobicContact CB-CB 4.39Å |
| 286 | T | 48.8 | Very low | 68.7 | Low | 97 Ų | 97 | 46.3 Ų | 46.3 | 60% | 0.595 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -155.6 | 105.1 | 168.8 | 50.5 | 0 | 0 | 0 | 0 | 111.4 | L236 R284 | L236-T286 HydrophobicContact CD1-CG2 4.27Å; L236-T286 HydrophobicContact CG-CG2 4.33Å; R284-T286 VanDerWaalsContact C-N 3.29Å; R284-T286 PolarHBondContact O-N 3.46Å |
| 287 | P | 49.8 | Very low | 68.2 | Low | 124 Ų | 124 | 44.8 Ų | 44.8 | 81% | 0.805 | 26% | 0.264 | S | S | * | . | S | Bend | cis | -75.2 | 93.1 | -44.1 | 30.6 | -19 | 0 | 0 | 0 | 108.2 | ||
| 288 | V | 51.3 | Low | 67.3 | Low | 24 Ų | 24 | 44.8 Ų | 44.8 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | trans | -73.5 | 139 | 176.9 | 170.4 | 0 | 0 | 0 | 0 | 108.9 | V282 R284 A285 G290 | V282-V288 HydrophobicContact CG1-CG1 3.92Å; R284-V288 VanDerWaalsContact C-CG2 3.44Å; R284-V288 WeakPolarHBondContact O-CG2 3.05Å; A285-V288 HydrophobicContact CB-CB 4.39Å; V288-G290 PolarHBondContact O-N 2.82Å | ||
| 289 | P | 54.8 | Low | 66.4 | Low | 43 Ų | 43 | 46.9 Ų | 46.9 | 28% | 0.279 | 28% | 0.275 | S | S | . | . | trans | -103.3 | 111.3 | -134.3 | 39.3 | -33.1 | 0 | 0 | 0 | 107.5 | R257 G291 Y293 | R257-P289 PolarHBondContact NE-O 3.4Å; R257-P289 PolarHBondContact NH2-O 2.97Å; R257-P289 VanDerWaalsContact NH2-O 3.11Å; P289-G291 PolarHBondContact O-N 2.87Å; P289-Y293 PolarHBondContact O-OH 2.83Å; P289-Y293 VanDerWaalsContact O-OH 3.08Å | ||
| 290 | G | 56.1 | Low | 65 | Low | 37 Ų | 37 | 48.9 Ų | 48.9 | 38% | 0.381 | 29% | 0.286 | S | S | . | . | trans | -49.9 | 135.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R257 V288 | R257-G290 PolarHBondContact NH2-O 3.33Å; V288-G290 PolarHBondContact O-N 2.82Å | ||
| 291 | G | 66.4 | Low | 63.3 | Low | 23 Ų | 23 | 56.3 Ų | 56.3 | 24% | 0.237 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.6 | 176.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P289 | P289-G291 PolarHBondContact O-N 2.87Å |
| 292 | T | 69.9 | Low | 61.6 | Low | 26 Ų | 26 | 56.9 Ų | 56.9 | 16% | 0.16 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121 | 178.4 | -69.4 | 0 | 0 | 0 | 0 | 109.6 | H258 T318 | H258-T292 HydrophobicContact CB-CG2 4.39Å; H258-T292 WeakPolarHBondContact CB-O 3.18Å; H258-T292 PolarHBondContact N-O 3.12Å; T292-T318 HydrophobicContact CG2-CG2 3.27Å; T292-T318 WeakPolarHBondContact OG1-CG2 3.08Å |
| 293 | Y | 75.3 | Confident | 60.1 | Low | 7 Ų | 7 | 59.4 Ų | 59.4 | 3% | 0.027 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 148.6 | 174.4 | -64.2 | -95.2 | 0 | 0 | 0 | 111.2 | L242 L255 F256 R257 V282 P289 V321 | L242-Y293 HydrophobicContact CD1-CD1 3.64Å; L242-Y293 HydrophobicContact CD1-CD2 4.15Å; L242-Y293 HydrophobicContact CD1-CE1 4.22Å; L242-Y293 HydrophobicContact CD1-CG 3.6Å; L255-Y293 HydrophobicContact CD2-CD1 4.33Å; F256-Y293 CarbonylContact O-C 3.55Å; F256-Y293 WeakPolarHBondContact O-CA 3.19Å; R257-Y293 HydrophobicContact CB-CD1 3.96Å; R257-Y293 HydrophobicContact CB-CE1 3.84Å; R257-Y293 WeakPolarHBondContact CD-OH 3.42Å; R257-Y293 HydrophobicContact CG-CD1 4.17Å; R257-Y293 HydrophobicContact CG-CE1 3.82Å; V282-Y293 HydrophobicContact CG1-CE1 3.96Å; V282-Y293 HydrophobicContact CG2-CE1 4.47Å; P289-Y293 PolarHBondContact O-OH 2.83Å; P289-Y293 VanDerWaalsContact O-OH 3.08Å; Y293-V321 HydrophobicContact CD2-CG2 4.47Å; Y293-V321 HydrophobicContact CE2-CG2 4.37Å |
| 294 | R | 74.1 | Confident | 59.1 | Low | 50 Ų | 50 | 61.6 Ų | 61.6 | 19% | 0.189 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 145.4 | 176.4 | -62.9 | -170.4 | -175.9 | 117.6 | -1.9 | 110.8 | L255 F256 Y296 | L255-R294 WeakPolarHBondContact CA-O 3.24Å; F256-R294 PolarHBondContact N-O 3.09Å; F256-R294 PolarHBondContact O-N 3.27Å; R294-Y296 HydrophobicContact CB-CE2 3.82Å; R294-Y296 VanDerWaalsContact CD-OH 3.29Å; R294-Y296 WeakPolarHBondContact CD-OH 3.31Å |
| 295 | C | 75.6 | Confident | 58 | Low | 15 Ų | 15 | 60.7 Ų | 60.7 | 10% | 0.101 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 147.2 | 175.2 | -172.9 | 0 | 0 | 0 | 0 | 113.2 | L226 C244 H254 L255 | L226-C295 HydrophobicContact CD1-CB 4Å; C244-C295 HydrophobicContact CB-CB 3.74Å; C244-C295 WeakPolarHBondContact CB-SG 3.46Å; C244-C295 WeakPolarHBondContact SG-CB 2.93Å; C244-C295 CovalentContact SG-SG 1.99Å; C244-C295 PolarHBondContact SG-SG 2.84Å; H254-C295 CarbonylContact O-C 3.55Å; H254-C295 WeakPolarHBondContact O-CA 3.5Å; H254-C295 PolarHBondContact O-SG 3.09Å; L255-C295 HydrophobicContact CD1-CB 4.46Å |
| 296 | Y | 70.5 | Confident | 57.1 | Low | 64 Ų | 64 | 63.4 Ų | 63.4 | 25% | 0.251 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 153 | 178.2 | -52.1 | -88.3 | 0 | 0 | 0 | 110.9 | Y253 H254 F256 R294 | Y253-Y296 CarbonylContact C-O 3.58Å; Y253-Y296 WeakPolarHBondContact CA-O 3.04Å; H254-Y296 PolarHBondContact N-O 2.81Å; H254-Y296 PolarHBondContact O-N 3.37Å; F256-Y296 AromaticContact CD2-CD2 3.6Å; F256-Y296 HydrophobicContact CD2-CD2 3.6Å; F256-Y296 AromaticContact CD2-CE2 3.66Å; F256-Y296 HydrophobicContact CD2-CE2 3.66Å; F256-Y296 AromaticContact CE2-CD2 3.89Å; F256-Y296 HydrophobicContact CE2-CD2 3.89Å; F256-Y296 HydrophobicContact CE2-CE2 4.27Å; R294-Y296 HydrophobicContact CB-CE2 3.82Å; R294-Y296 VanDerWaalsContact CD-OH 3.29Å; R294-Y296 WeakPolarHBondContact CD-OH 3.31Å |
| 297 | G | 71.8 | Confident | 56.2 | Low | 23 Ų | 23 | 63 Ų | 63 | 24% | 0.237 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 144.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F250 Q252 | F250-G297 VanDerWaalsContact CG-CA 3.48Å; Q252-G297 CarbonylContact O-C 3.6Å; Q252-G297 WeakPolarHBondContact O-CA 3.47Å |
| 298 | S | 67.1 | Low | 55.5 | Low | 28 Ų | 28 | 62 Ų | 62 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 153.5 | 177.8 | 62.5 | 0 | 0 | 0 | 0 | 112.3 | D251 Q252 H254 | D251-S298 PolarHBondContact N-O 2.94Å; Q252-S298 PolarHBondContact N-O 3.32Å; Q252-S298 PolarHBondContact O-N 2.89Å; H254-S298 PolarHBondContact NE2-OG 2.9Å |
| 299 | F | 68 | Low | 54.5 | Low | 49 Ų | 49 | 66.3 Ų | 66.3 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | trans | -104.5 | 148.2 | 175.2 | -67.7 | -89.6 | 0 | 0 | 0 | 111.1 | Y221 I248 S249 F250 D251 D301 S302 | Y221-F299 HydrophobicContact CD1-CE2 4.45Å; Y221-F299 AromaticContact CD2-CD2 3.97Å; Y221-F299 HydrophobicContact CD2-CD2 3.97Å; Y221-F299 AromaticContact CD2-CE2 3.34Å; Y221-F299 HydrophobicContact CD2-CE2 3.34Å; Y221-F299 HydrophobicContact CD2-CZ 4.28Å; Y221-F299 HydrophobicContact CE1-CE2 4.2Å; Y221-F299 HydrophobicContact CE1-CZ 4.31Å; Y221-F299 AromaticContact CE2-CD2 3.38Å; Y221-F299 HydrophobicContact CE2-CD2 3.38Å; Y221-F299 AromaticContact CE2-CE2 3.01Å; Y221-F299 HydrophobicContact CE2-CE2 3.01Å; Y221-F299 HydrophobicContact CE2-CG 4.48Å; Y221-F299 AromaticContact CE2-CZ 3.87Å; Y221-F299 HydrophobicContact CE2-CZ 3.87Å; Y221-F299 HydrophobicContact CG-CE2 4.03Å; Y221-F299 AromaticContact CZ-CE2 3.47Å; Y221-F299 VanDerWaalsContact CZ-CE2 3.47Å; Y221-F299 AromaticContact CZ-CZ 3.86Å; I248-F299 HydrophobicContact CG2-CZ 3.81Å; S249-F299 WeakPolarHBondContact O-CE1 3.42Å; S249-F299 VanDerWaalsContact O-CZ 3.25Å; S249-F299 WeakPolarHBondContact O-CZ 3.07Å; F250-F299 AromaticContact CD1-CD2 3.78Å; F250-F299 HydrophobicContact CD1-CD2 3.78Å; F250-F299 AromaticContact CD1-CE2 3.25Å; F250-F299 HydrophobicContact CD1-CE2 3.25Å; F250-F299 AromaticContact CD1-CZ 3.79Å; F250-F299 HydrophobicContact CD1-CZ 3.79Å; F250-F299 HydrophobicContact CE1-CD2 4.18Å; F250-F299 AromaticContact CE1-CE2 3.46Å; F250-F299 HydrophobicContact CE1-CE2 3.46Å; F250-F299 VanDerWaalsContact CE1-CE2 3.46Å; F250-F299 HydrophobicContact CE1-CZ 4.18Å; F250-F299 HydrophobicContact CG-CE2 4.28Å; F250-F299 HydrophobicContact CG-CZ 4.44Å; D251-F299 WeakPolarHBondContact OD2-CA 3.29Å; D251-F299 WeakPolarHBondContact OD2-CB 3.48Å; F299-D301 VanDerWaalsContact C-N 3.31Å; F299-D301 PolarHBondContact O-N 3.01Å; F299-S302 VanDerWaalsContact O-CB 3.23Å; F299-S302 WeakPolarHBondContact O-CB 3.3Å; F299-S302 PolarHBondContact O-N 3.22Å; F299-S302 VanDerWaalsContact O-N 3.14Å | ||
| 300 | N | 57.8 | Low | 53.3 | Low | 105 Ų | 105 | 75.7 Ų | 75.7 | 56% | 0.561 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -32.6 | 177.8 | -73.4 | -25.2 | 0 | 0 | 0 | 112 | D251 Q252 S302 | D251-N300 HydrophobicContact CB-CB 4.28Å; D251-N300 PolarHBondContact OD2-N 2.68Å; Q252-N300 PolarHBondContact NE2-OD1 3.33Å; Q252-N300 VanDerWaalsContact NE2-OD1 3.17Å; N300-S302 PolarHBondContact O-N 2.78Å |
| 301 | D | 47.8 | Very low | 52 | Low | 161 Ų | 161 | 76.6 Ų | 76.6 | 86% | 0.861 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 6.6 | 174.9 | -75 | -19.9 | 0 | 0 | 0 | 113.3 | F299 | F299-D301 VanDerWaalsContact C-N 3.31Å; F299-D301 PolarHBondContact O-N 3.01Å |
| 302 | S | 45.8 | Very low | 50 | Low | 65 Ų | 65 | 83 Ų | 83 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -76.7 | 122.6 | 165.4 | -151.1 | 0 | 0 | 0 | 0 | 107.5 | F299 N300 Y304 | F299-S302 VanDerWaalsContact O-CB 3.23Å; F299-S302 WeakPolarHBondContact O-CB 3.3Å; F299-S302 PolarHBondContact O-N 3.22Å; F299-S302 VanDerWaalsContact O-N 3.14Å; N300-S302 PolarHBondContact O-N 2.78Å; S302-Y304 PolarHBondContact O-N 2.88Å |
| 303 | P | 39 | Very low | 48.1 | Very low | 83 Ų | 83 | 85.6 Ų | 85.6 | 54% | 0.539 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -64.8 | 3 | -169.6 | 21 | -30.3 | 0 | 0 | 0 | 115.2 | A190 | A190-P303 HydrophobicContact CB-CG 4.33Š|
| 304 | Y | 42.6 | Very low | 46.1 | Very low | 76 Ų | 76 | 91.4 Ų | 91.4 | 30% | 0.298 | 49% | 0.486 | S | S | . | . | trans | -136.5 | 118.9 | 177.2 | -64 | -91.4 | 0 | 0 | 0 | 110.9 | A192 D214 S302 | A192-Y304 PolarHBondContact N-OH 2.73Å; D214-Y304 HydrophobicContact CB-CE1 4.07Å; D214-Y304 VanDerWaalsContact CG-CE1 3.5Å; D214-Y304 VanDerWaalsContact CG-OH 3.26Å; D214-Y304 VanDerWaalsContact OD1-CZ 3.32Å; D214-Y304 PolarHBondContact OD1-OH 2.89Å; S302-Y304 PolarHBondContact O-N 2.88Å | ||
| 305 | K | 32.9 | Very low | 44.1 | Very low | 173 Ų | 173 | 92.7 Ų | 92.7 | 75% | 0.752 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 128.5 | 148.8 | -75.1 | 179.2 | 177.1 | 177.4 | 0 | 106.6 | P307 | K305-P307 WeakPolarHBondContact O-CD 3.27Š|
| 306 | P | 34.6 | Very low | 42.7 | Very low | 59 Ų | 59 | 99.7 Ų | 99.7 | 38% | 0.383 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 126.6 | 174.5 | 22.2 | -30 | 0 | 0 | 0 | 108.7 | V308 | P306-V308 PolarHBondContact O-N 3.11Š|
| 307 | P | 29.7 | Very low | 41.5 | Very low | 89 Ų | 89 | 100.7 Ų | 100.7 | 58% | 0.578 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 134.7 | 168.4 | 24.1 | -29.2 | 0 | 0 | 0 | 107.6 | K305 T309 | K305-P307 WeakPolarHBondContact O-CD 3.27Å; P307-T309 PolarHBondContact O-N 2.89Å |
| 308 | V | 35 | Very low | 40.3 | Very low | 101 Ų | 101 | 102.7 Ų | 102.7 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -68.8 | 22.2 | -179.8 | -172.7 | 0 | 0 | 0 | 0 | 111.6 | P306 | P306-V308 PolarHBondContact O-N 3.11Š|
| 309 | T | 30.5 | Very low | 39.3 | Very low | 115 Ų | 115 | 103.4 Ų | 103.4 | 71% | 0.706 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -127.6 | 100.7 | -173.4 | 7 | 0 | 0 | 0 | 0 | 110.1 | P307 | P307-T309 PolarHBondContact O-N 2.89Š|
| 310 | R | 29.4 | Very low | 38.2 | Very low | 240 Ų | 240 | 110 Ų | 110 | 91% | 0.906 | 57% | 0.572 | S | S | * | * | trans | 48.6 | 81.3 | 170.2 | -77 | -172.9 | -174.8 | -173.7 | 2.4 | 115.3 | ||||
| 311 | C | 27.6 | Very low | 37.9 | Very low | 57 Ų | 57 | 106 Ų | 106 | 39% | 0.385 | 55% | 0.551 | S | S | . | * | trans | -82.3 | 115.2 | 154.7 | -56.2 | 0 | 0 | 0 | 0 | 110.2 | F313 | C311-F313 HydrophobicContact CB-CD1 4.11Å; C311-F313 HydrophobicContact CB-CD2 3.23Å; C311-F313 HydrophobicContact CB-CE1 3.82Å; C311-F313 HydrophobicContact CB-CE2 2.91Å; C311-F313 HydrophobicContact CB-CG 3.84Å; C311-F313 HydrophobicContact CB-CZ 3.23Å; C311-F313 PolarHBondContact O-N 3.07Å; C311-F313 VanDerWaalsContact O-N 3.1Å; C311-F313 WeakPolarHBondContact SG-CE2 3.25Å; C311-F313 WeakPolarHBondContact SG-CZ 3.36Å | ||
| 312 | N | 24.3 | Very low | 37.6 | Very low | 157 Ų | 157 | 104.4 Ų | 104.4 | 84% | 0.84 | 54% | 0.542 | S | S | * | . | trans | -77.2 | 81.7 | 158.2 | -80.8 | -11.8 | 0 | 0 | 0 | 108 | ||||
| 313 | F | 31.5 | Very low | 37.2 | Very low | 81 Ų | 81 | 105 Ų | 105 | 36% | 0.355 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 129.1 | 171.8 | -65.5 | -60.6 | 0 | 0 | 0 | 110.1 | C311 | C311-F313 HydrophobicContact CB-CD1 4.11Å; C311-F313 HydrophobicContact CB-CD2 3.23Å; C311-F313 HydrophobicContact CB-CE1 3.82Å; C311-F313 HydrophobicContact CB-CE2 2.91Å; C311-F313 HydrophobicContact CB-CG 3.84Å; C311-F313 HydrophobicContact CB-CZ 3.23Å; C311-F313 PolarHBondContact O-N 3.07Å; C311-F313 VanDerWaalsContact O-N 3.1Å; C311-F313 WeakPolarHBondContact SG-CE2 3.25Å; C311-F313 WeakPolarHBondContact SG-CZ 3.36Å |
| 314 | T | 31.8 | Very low | 37 | Very low | 129 Ų | 129 | 105 Ų | 105 | 79% | 0.791 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 134.7 | 165.4 | 38.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 315 | P | 32.2 | Very low | 36.7 | Very low | 76 Ų | 76 | 109.5 Ų | 109.5 | 49% | 0.494 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -77.3 | 140.6 | -165.6 | 29.3 | -33.1 | 0 | 0 | 0 | 111.4 | ||
| 316 | Q | 46 | Very low | 36.6 | Very low | 163 Ų | 163 | 106.1 Ų | 106.1 | 76% | 0.762 | 56% | 0.562 | S | S | * | * | trans | -158.3 | 131 | 155.9 | -105.4 | 148.6 | 30.1 | 0 | 0 | 112.1 | ||||
| 317 | E | 46.8 | Very low | 36.6 | Very low | 85 Ų | 85 | 112.3 Ų | 112.3 | 40% | 0.397 | 59% | 0.586 | S | S | . | * | trans | 65.8 | 122.8 | -164.4 | -76 | 170 | -146.8 | 0 | 0 | 115.4 | K223 | K223-E317 WeakPolarHBondContact CE-OE1 3.28Å; K223-E317 IonicContact NZ-OE1 3.35Å; K223-E317 PolarHBondContact NZ-OE1 3.14Å | ||
| 318 | T | 46.1 | Very low | 36.7 | Very low | 65 Ų | 65 | 115.2 Ų | 115.2 | 40% | 0.399 | 60% | 0.597 | S | S | . | * | trans | -144.6 | 108.8 | -172.8 | -74.3 | 0 | 0 | 0 | 0 | 106.7 | T292 R320 | T292-T318 HydrophobicContact CG2-CG2 3.27Å; T292-T318 WeakPolarHBondContact OG1-CG2 3.08Å; T318-R320 HydrophobicContact CG2-CG 4.23Å | ||
| 319 | L | 45.9 | Very low | 36.9 | Very low | 43 Ų | 43 | 115.4 Ų | 115.4 | 23% | 0.225 | 60% | 0.6 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 121.5 | 168.4 | -167.7 | 76.7 | 0 | 0 | 0 | 107.8 | T228 L242 V321 | T228-L319 HydrophobicContact CG2-CD1 4.5Å; T228-L319 HydrophobicContact CG2-CD2 3.65Å; L242-L319 HydrophobicContact CD2-CD2 3.86Å; L319-V321 HydrophobicContact CD2-CG2 4.27Å |
| 320 | R | 46.1 | Very low | 36.9 | Very low | 188 Ų | 188 | 116 Ų | 116 | 71% | 0.709 | 61% | 0.606 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.7 | 117.7 | 170.3 | -70.7 | -172.7 | -179.6 | -161.5 | 1.2 | 108.4 | T318 | T318-R320 HydrophobicContact CG2-CG 4.23Å |
| 321 | V | 49.9 | Very low | 37.2 | Very low | 21 Ų | 21 | 111.9 Ų | 111.9 | 13% | 0.127 | 60% | 0.601 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.8 | 118 | 171.5 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | L240 Y293 L319 | L240-V321 HydrophobicContact CD2-CG2 4.44Å; Y293-V321 HydrophobicContact CD2-CG2 4.47Å; Y293-V321 HydrophobicContact CE2-CG2 4.37Å; L319-V321 HydrophobicContact CD2-CG2 4.27Å |
| 322 | L | 41.5 | Very low | 37.3 | Very low | 126 Ų | 126 | 116 Ų | 116 | 66% | 0.66 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.6 | 136.4 | 177.6 | -69.3 | 169.3 | 0 | 0 | 0 | 109.5 | ||
| 323 | L | 38.5 | Very low | 37.6 | Very low | 77 Ų | 77 | 116.5 Ų | 116.5 | 40% | 0.403 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.8 | 124.5 | 175.2 | -69.9 | 165.2 | 0 | 0 | 0 | 109.1 | ||
| 324 | C | 34.2 | Very low | 37.4 | Very low | 85 Ų | 85 | 118.7 Ų | 118.7 | 57% | 0.574 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 118 | 169.8 | -75.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 325 | H | 35.8 | Very low | 37.9 | Very low | 169 Ų | 169 | 118.1 Ų | 118.1 | 78% | 0.782 | 64% | 0.639 | S | S | * | * | trans | -83.4 | 114.2 | 164.3 | -81.8 | -70.5 | 0 | 0 | 0 | 109 | Q327 | H325-Q327 PolarHBondContact O-N 3.14Š| ||
| 326 | S | 31.6 | Very low | 38.1 | Very low | 103 Ų | 103 | 119.3 Ų | 119.3 | 72% | 0.72 | 65% | 0.647 | S | S | * | * | trans | -77 | 112.5 | 167.2 | 168 | 0 | 0 | 0 | 0 | 109 | ||||
| 327 | Q | 34.9 | Very low | 37.2 | Very low | 189 Ų | 189 | 122.5 Ų | 122.5 | 88% | 0.883 | 65% | 0.652 | S | S | * | * | trans | -117 | 129.6 | 142.6 | -74.6 | -177 | 2.2 | 0 | 0 | 105.8 | H325 | H325-Q327 PolarHBondContact O-N 3.14Š| ||
| 328 | N | 30.8 | Very low | 36.4 | Very low | 150 Ų | 150 | 126 Ų | 126 | 80% | 0.802 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 157.5 | -170.6 | -91.6 | -22.1 | 0 | 0 | 0 | 113.9 | ||
| 329 | P | 39.2 | Very low | 35.9 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 68% | 0.682 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 164.8 | -157 | 37 | -35.1 | 0 | 0 | 0 | 113.1 | ||
| 330 | P | 31.1 | Very low | 35 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 137.9 | 151.6 | 14 | 2.7 | 0 | 0 | 0 | 110.2 | ||
| 331 | L | 35.1 | Very low | 34.2 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 161.7 | 169.5 | -80.2 | 120.5 | 0 | 0 | 0 | 113.8 | ||
| 332 | N | 30.9 | Very low | 34.3 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | trans | 90.6 | 102.3 | 165.3 | -59.6 | -19.4 | 0 | 0 | 0 | 115.8 | ||||
| 333 | L | 29.5 | Very low | 33.7 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 88% | 0.88 | 76% | 0.762 | S | S | * | * | -163.4 | 129.8 | 93.2 | -89.2 | 159.1 | 0 | 0 | 0 | 109.4 | |||||
| 334 | T | 28.4 | Very low | 33.6 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -55.8 | 142.6 | 173.1 | 30.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 335 | P | 41.1 | Very low | 33.5 | Very low | 116 Ų | 116 | 149.5 Ų | 149.5 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -79.9 | 159.4 | 169.3 | 37.2 | -33.2 | 0 | 0 | 0 | 109.3 | ||||
| 336 | P | 37.3 | Very low | 33.3 | Very low | 102 Ų | 102 | 149.8 Ų | 149.8 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | -154.9 | 170.1 | 95.8 | 38.8 | -17.1 | 0 | 0 | 0 | 112.2 | |||||
| 337 | W | 27.3 | Very low | 33.3 | Very low | 229 Ų | 229 | 148.9 Ų | 148.9 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | cis | -156.8 | 157.4 | 31.8 | -92.5 | 92.5 | 0 | 0 | 0 | 110.4 | ||||
| 338 | Q | 29.8 | Very low | 33.1 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | trans | -63.9 | 155.9 | 166.1 | -71.7 | 170.6 | -58.9 | 0 | 0 | 113.6 | ||||
| 339 | T | 34.5 | Very low | 33.1 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | 56.3 | 121.1 | 144.6 | 44.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 340 | Q | 27.7 | Very low | 32.7 | Very low | 192 Ų | 192 | 154.4 Ų | 154.4 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | -178.4 | 127.7 | 118.2 | -98 | 166.7 | 25.9 | 0 | 0 | 111.9 | |||||
| 341 | S | 29.8 | Very low | 32.7 | Very low | 111 Ų | 111 | 159.5 Ų | 159.5 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -91.7 | 176.1 | 144.1 | -28.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 342 | P | 50.7 | Low | 32.5 | Very low | 112 Ų | 112 | 157.9 Ų | 157.9 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | cis | -130.8 | 173 | -25.5 | 37.6 | -21.5 | 0 | 0 | 0 | 112.2 | ||||
| 343 | R | 28.9 | Very low | 32.7 | Very low | 249 Ų | 249 | 157.9 Ų | 157.9 | 94% | 0.94 | 82% | 0.819 | S | S | * | * | trans | 175.3 | 142.6 | 133.9 | -98 | 171.5 | -157 | -150.4 | 6.5 | 114.3 | ||||
| 344 | K | 38 | Very low | 33 | Very low | 210 Ų | 210 | 159.4 Ų | 159.4 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | trans | -62.2 | 151.4 | 170.1 | -69.9 | 170.4 | 171.2 | 174.6 | 0 | 112.7 | ||||
| 345 | A | 31.7 | Very low | 33.4 | Very low | 104 Ų | 104 | 159.9 Ų | 159.9 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -151.2 | 131.9 | 143.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 346 | N | 31.9 | Very low | 33.1 | Very low | 174 Ų | 174 | 164.4 Ų | 164.4 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | trans | -64.5 | 151.5 | 174.6 | -78.4 | -35.2 | 0 | 0 | 0 | 112.6 | ||||
| 347 | G | 31.6 | Very low | 32.9 | Very low | 84 Ų | 84 | 168.6 Ų | 168.6 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | trans | -158.1 | 106.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 348 | R | 30.4 | Very low | 33.3 | Very low | 222 Ų | 222 | 164.3 Ų | 164.3 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -94.5 | 160.5 | -174.4 | -166.7 | -176.4 | -164.4 | 177.2 | 4.7 | 110 | ||||
| 349 | M | 29.5 | Very low | 33.6 | Very low | 149 Ų | 149 | 164.9 Ų | 164.9 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | 80.4 | 137.1 | 154.9 | -101.9 | 175.6 | -156.4 | 0 | 0 | 115.9 | ||||
| 350 | K | 31.9 | Very low | 33.6 | Very low | 189 Ų | 189 | 168.3 Ų | 168.3 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | cis | -156.4 | 158.3 | 34.8 | -103.2 | 166.9 | -171.5 | 178.7 | 0 | 112.5 | ||||
| 351 | R | 31.4 | Very low | 34 | Very low | 235 Ų | 235 | 163.2 Ų | 163.2 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -62.4 | 152.6 | 167.6 | -63.1 | 168.4 | 175.4 | -178.9 | -3.6 | 113 | ||||
| 352 | S | 31.3 | Very low | 34.1 | Very low | 120 Ų | 120 | 168.8 Ų | 168.8 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -154 | 120.8 | 130.3 | 53.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 353 | L | 34 | Very low | 33.4 | Very low | 143 Ų | 143 | 171.6 Ų | 171.6 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | -71.8 | 142.6 | 159.9 | -87.8 | 88.7 | 0 | 0 | 0 | 108.5 | ||||
| 354 | Q | 36.6 | Very low | 34.7 | Very low | 199 Ų | 199 | 164.7 Ų | 164.7 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | -147.5 | 113.3 | 127.4 | -98.7 | -146.2 | -19.3 | 0 | 0 | 113.1 | |||||
| 355 | Q | 35.3 | Very low | 35.2 | Very low | 138 Ų | 138 | 164.2 Ų | 164.2 | 65% | 0.645 | 82% | 0.817 | S | S | * | * | trans | -51 | 139.9 | 159.5 | -168.6 | 173 | 23.2 | 0 | 0 | 113.8 | ||||
| 356 | K | 35.7 | Very low | 35.4 | Very low | 211 Ų | 211 | 167.3 Ų | 167.3 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | -146.9 | 110.1 | 140.7 | -119.5 | 175.7 | -174.7 | 177.4 | 0 | 111.8 | ||||
| 357 | R | 33.5 | Very low | 35.6 | Very low | 189 Ų | 189 | 166.9 Ų | 166.9 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | trans | -54.7 | 152 | 161 | -76.3 | 169.6 | 158.9 | 175.3 | -3.4 | 109.9 | ||||
| 358 | H | 35.6 | Very low | 35.8 | Very low | 140 Ų | 140 | 171.5 Ų | 171.5 | 65% | 0.648 | 81% | 0.806 | S | S | * | * | 165.3 | 156.6 | 78.2 | -111.1 | -29.9 | 0 | 0 | 0 | 105.3 | |||||
| 359 | R | 35.8 | Very low | 36.1 | Very low | 170 Ų | 170 | 168.5 Ų | 168.5 | 64% | 0.642 | 80% | 0.804 | S | S | * | * | cis | -173.5 | 148.2 | 12.1 | -140 | 170.7 | -169.9 | -160.8 | 4.5 | 107.4 | ||||
| 360 | R | 35 | Very low | 36.5 | Very low | 194 Ų | 194 | 169.8 Ų | 169.8 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 59.3 | 111.4 | 135.4 | -86.9 | -180 | -171.9 | -169.4 | -1.5 | 119.1 | ||||
| 361 | S | 35.7 | Very low | 36.8 | Very low | 85 Ų | 85 | 168.5 Ų | 168.5 | 59% | 0.594 | 81% | 0.807 | S | S | * | * | 97.8 | 123.2 | 67.2 | 60.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 362 | Y | 32.6 | Very low | 37.2 | Very low | 228 Ų | 228 | 163.7 Ų | 163.7 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | 170.1 | 121.9 | 123.2 | -102.6 | -86.3 | 0 | 0 | 0 | 109.9 | |||||
| 363 | M | 35.6 | Very low | 37.7 | Very low | 170 Ų | 170 | 167.1 Ų | 167.1 | 84% | 0.837 | 80% | 0.799 | S | S | * | * | trans | -86.4 | -176.1 | 158.2 | -92.2 | -90.1 | -171 | 0 | 0 | 108.1 | ||||
| 364 | P | 56.7 | Low | 38 | Very low | 104 Ų | 104 | 169.1 Ų | 169.1 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | cis | -132.2 | 177 | -27.7 | 29.9 | -10.1 | 0 | 0 | 0 | 112 | ||||
| 365 | S | 48.1 | Very low | 38.1 | Very low | 201 Ų | 201 | 166.4 Ų | 166.4 | 100% | 1.406 | 79% | 0.791 | S | S | * | * | trans | -162.8 | 0 | 133.3 | -70.9 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 365 of 365 residues in 997.1 ms
(Link to these results)