| 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 | 36.5 | Very low | 39.5 | Very low | 235 Ų | 235 | 135.5 Ų | 135.5 | 100% | 1.158 | 87% | 0.869 | S | S | * | * | 0 | 90.3 | 0 | -77.2 | -108.2 | -79.7 | 0 | 0 | 107.9 | |||||
| 2 | L | 33.5 | Very low | 39.3 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 95% | 0.953 | 87% | 0.869 | S | S | * | * | trans | 175.1 | 69.2 | 161.8 | -95.9 | 161.2 | 0 | 0 | 0 | 105.2 | ||||
| 3 | A | 39.2 | Very low | 39.1 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 81% | 0.81 | 87% | 0.87 | S | S | * | * | trans | -132.9 | 77.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 4 | V | 37.2 | Very low | 39 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 93% | 0.927 | 87% | 0.874 | S | S | * | * | trans | -150 | 121.5 | 171.5 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 5 | G | 37.8 | Very low | 38.7 | Very low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 86% | 0.857 | S | S | * | * | trans | 111.5 | 65.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 6 | C | 44.9 | Very low | 38.5 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 98% | 0.98 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -132.1 | 31.7 | 156.4 | -133.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 7 | A | 43.5 | Very low | 38.3 | Very low | 86 Ų | 86 | 131 Ų | 131 | 71% | 0.711 | 86% | 0.856 | S | S | * | * | trans | -139.2 | 116.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 8 | L | 41.9 | Very low | 38 | Very low | 168 Ų | 168 | 128.5 Ų | 128.5 | 88% | 0.88 | 85% | 0.848 | S | S | * | * | trans | 125.3 | 102.7 | 157.3 | -72.4 | 153.8 | 0 | 0 | 0 | 113.5 | ||||
| 9 | L | 39.5 | Very low | 38 | Very low | 170 Ų | 170 | 126.7 Ų | 126.7 | 89% | 0.89 | 85% | 0.845 | S | S | * | * | -173.4 | 77.7 | 124.5 | -97.8 | 150 | 0 | 0 | 0 | 109 | |||||
| 10 | A | 44.3 | Very low | 38.2 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 88% | 0.876 | 83% | 0.833 | S | S | * | * | trans | -95 | 91.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 11 | A | 36.4 | Very low | 38.3 | Very low | 76 Ų | 76 | 123.3 Ų | 123.3 | 63% | 0.628 | 82% | 0.819 | S | S | * | * | trans | -177.2 | 138.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 12 | L | 36.6 | Very low | 38.9 | Very low | 167 Ų | 167 | 114 Ų | 114 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 84.3 | 98.2 | 163.5 | -58.3 | 156.3 | 0 | 0 | 0 | 116.1 | ||||
| 13 | L | 36.5 | Very low | 40.2 | Very low | 168 Ų | 168 | 114.5 Ų | 114.5 | 88% | 0.88 | 77% | 0.765 | S | S | * | * | -165.9 | 87.5 | 118.1 | -92.9 | 172.2 | 0 | 0 | 0 | 108.9 | |||||
| 14 | A | 38.8 | Very low | 41.3 | Very low | 113 Ų | 113 | 120.6 Ų | 120.6 | 93% | 0.934 | 77% | 0.767 | S | S | * | * | trans | -87.3 | 97.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 15 | A | 33.4 | Very low | 42.9 | Very low | 75 Ų | 75 | 113.8 Ų | 113.8 | 62% | 0.62 | 73% | 0.727 | S | S | * | * | trans | -132.9 | 142.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | G17 | A15-G17 PolarHBondContact O-N 3.46Š| ||
| 16 | P | 36.4 | Very low | 44.3 | Very low | 132 Ų | 132 | 113.2 Ų | 113.2 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | trans | -78.4 | 124.3 | -164.7 | 19.5 | -11.3 | 0 | 0 | 0 | 112.1 | A18 | P16-A18 PolarHBondContact O-N 3.02Š| ||
| 17 | G | 35.3 | Very low | 45.1 | Very low | 81 Ų | 81 | 110.4 Ų | 110.4 | 84% | 0.835 | 70% | 0.697 | S | S | * | * | trans | 51.6 | 49.7 | 135 | 0 | 0 | 0 | 0 | 0 | 118.7 | A15 | A15-G17 PolarHBondContact O-N 3.46Š| ||
| 18 | A | 31.5 | Very low | 46.2 | Very low | 86 Ų | 86 | 108.7 Ų | 108.7 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | trans | -87.6 | 102.6 | 147.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | P16 L20 | P16-A18 PolarHBondContact O-N 3.02Å; A18-L20 PolarHBondContact O-N 2.78Å | ||
| 19 | A | 38.3 | Very low | 47.5 | Very low | 95 Ų | 95 | 109.5 Ų | 109.5 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | trans | -51.8 | 109.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | A21 | A19-A21 PolarHBondContact O-N 2.97Š| ||
| 20 | L | 42.3 | Very low | 49 | Very low | 115 Ų | 115 | 104 Ų | 104 | 60% | 0.602 | 65% | 0.647 | S | S | * | * | trans | -68.1 | 68.1 | 172.6 | -76.1 | 161.6 | 0 | 0 | 0 | 107.7 | A18 P22 | A18-L20 PolarHBondContact O-N 2.78Å; L20-P22 VanDerWaalsContact O-CD 3.28Å; L20-P22 WeakPolarHBondContact O-CD 3.17Å | ||
| 21 | A | 40.6 | Very low | 50.5 | Low | 67 Ų | 67 | 102.3 Ų | 102.3 | 55% | 0.554 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 121.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 108 | A19 R23 | A19-A21 PolarHBondContact O-N 2.97Å; A21-R23 PolarHBondContact O-N 2.79Å |
| 22 | P | 49.5 | Very low | 52.3 | Low | 38 Ų | 38 | 110.8 Ų | 110.8 | 25% | 0.247 | 65% | 0.648 | C | S | . | * | P | Polyproline II helix | trans | -60.1 | 138.4 | 166 | 21.4 | -25.7 | 0 | 0 | 0 | 108.7 | L20 L149 | L20-P22 VanDerWaalsContact O-CD 3.28Å; L20-P22 WeakPolarHBondContact O-CD 3.17Å; P22-L149 HydrophobicContact CB-CB 4.09Å; P22-L149 HydrophobicContact CB-CD1 3.89Å; P22-L149 HydrophobicContact CG-CD1 4.31Å |
| 23 | R | 59.4 | Low | 54.1 | Low | 193 Ų | 193 | 106 Ų | 106 | 73% | 0.728 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 143 | -176.8 | -81.1 | -178.7 | 149.4 | 177.8 | -4.1 | 110.6 | A21 L149 | A21-R23 PolarHBondContact O-N 2.79Å; R23-L149 WeakPolarHBondContact O-CD1 3.36Å |
| 24 | R | 64 | Low | 56.4 | Low | 226 Ų | 226 | 100 Ų | 100 | 85% | 0.853 | 61% | 0.609 | S | S | * | * | trans | -19.7 | 128.8 | -176 | -107.9 | 173.5 | -179.3 | 171.1 | -0.3 | 115.1 | ||||
| 25 | C | 70.4 | Confident | 58.8 | Low | 11 Ų | 11 | 98 Ų | 98 | 7% | 0.074 | 58% | 0.582 | C | S | . | * | trans | -45 | 132.4 | 154.6 | -92 | 0 | 0 | 0 | 0 | 109.2 | A27 C193 F202 | C25-A27 PolarHBondContact O-N 2.92Å; C25-C193 WeakPolarHBondContact CA-SG 3.35Å; C25-C193 HydrophobicContact CB-CB 4.17Å; C25-C193 WeakPolarHBondContact CB-SG 3.46Å; C25-C193 WeakPolarHBondContact SG-CB 3.34Å; C25-C193 CovalentContact SG-SG 1.99Å; C25-C193 PolarHBondContact SG-SG 2.91Å; C25-F202 HydrophobicContact CB-CE1 3.94Å; C25-F202 HydrophobicContact CB-CE2 4.37Å; C25-F202 HydrophobicContact CB-CZ 3.59Å; C25-F202 WeakPolarHBondContact SG-CE1 3.29Å; C25-F202 WeakPolarHBondContact SG-CZ 3.45Å | ||
| 26 | P | 67.3 | Low | 61.5 | Low | 59 Ų | 59 | 97.1 Ų | 97.1 | 38% | 0.383 | 57% | 0.57 | S | S | . | * | trans | -54.8 | 120.1 | 167.6 | 19.5 | -26.8 | 0 | 0 | 0 | 107.7 | Q28 V147 | P26-Q28 PolarHBondContact O-N 2.81Å; P26-V147 HydrophobicContact CG-CG1 4.12Å; P26-V147 HydrophobicContact CG-CG2 3.76Å | ||
| 27 | A | 61 | Low | 64.1 | Low | 86 Ų | 86 | 91.4 Ų | 91.4 | 71% | 0.711 | 53% | 0.532 | S | S | * | . | trans | -62.2 | 127.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | C25 E29 | C25-A27 PolarHBondContact O-N 2.92Å; A27-E29 PolarHBondContact O-N 2.82Å | ||
| 28 | Q | 67.4 | Low | 66.7 | Low | 50 Ų | 50 | 90.8 Ų | 90.8 | 23% | 0.234 | 51% | 0.51 | C | S | . | . | trans | -67.8 | 104.2 | 173.8 | -169.4 | 75.8 | -39.3 | 0 | 0 | 107.1 | P26 V30 T143 S196 | P26-Q28 PolarHBondContact O-N 2.81Å; Q28-V30 PolarHBondContact O-N 3.35Å; Q28-T143 PolarHBondContact NE2-O 2.95Å; Q28-S196 WeakPolarHBondContact CB-O 3.31Å | ||
| 29 | E | 67.4 | Low | 69.6 | Low | 186 Ų | 186 | 89 Ų | 89 | 87% | 0.869 | 49% | 0.491 | S | S | * | . | trans | -67.2 | 106.4 | 178.3 | -73 | -168.6 | 167.5 | 0 | 0 | 109.2 | A27 | A27-E29 PolarHBondContact O-N 2.82Š| ||
| 30 | V | 72.9 | Confident | 72.1 | Confident | 55 Ų | 55 | 86.3 Ų | 86.3 | 33% | 0.333 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -73 | 128.5 | 171.1 | 177.8 | 0 | 0 | 0 | 0 | 107.7 | Q28 R32 V34 T36 | Q28-V30 PolarHBondContact O-N 3.35Å; V30-R32 PolarHBondContact O-N 3.18Å; V30-V34 HydrophobicContact CG1-CB 3.61Å; V30-V34 HydrophobicContact CG1-CG1 3.9Å; V30-V34 HydrophobicContact CG1-CG2 4.44Å; V30-T36 HydrophobicContact CG1-CG2 4.1Å; V30-T36 HydrophobicContact CG2-CG2 4.13Å |
| 31 | A | 75.9 | Confident | 74.5 | Confident | 69 Ų | 69 | 84.3 Ų | 84.3 | 57% | 0.57 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -55 | 142 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | G33 V34 | A31-G33 PolarHBondContact O-N 3.15Å; A31-V34 HydrophobicContact CB-CG2 3.96Å; A31-V34 WeakPolarHBondContact O-CB 3.41Å; A31-V34 WeakPolarHBondContact O-CG2 3.27Å; A31-V34 PolarHBondContact O-N 3.37Å; A31-V34 VanDerWaalsContact O-N 3.14Å |
| 32 | R | 72.2 | Confident | 77.1 | Confident | 255 Ų | 255 | 84.9 Ų | 84.9 | 96% | 0.962 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 127 | -179.1 | -74.8 | -170.3 | -87.9 | -158.2 | -5.8 | 110.5 | V30 | V30-R32 PolarHBondContact O-N 3.18Š|
| 33 | G | 74.4 | Confident | 79.1 | Confident | 65 Ų | 65 | 83.7 Ų | 83.7 | 67% | 0.67 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | 8.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | A31 | A31-G33 PolarHBondContact O-N 3.15Š|
| 34 | V | 86.1 | Confident | 80.7 | Confident | 43 Ų | 43 | 77.6 Ų | 77.6 | 26% | 0.261 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.8 | 168.7 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | V30 A31 H107 L109 | V30-V34 HydrophobicContact CG1-CB 3.61Å; V30-V34 HydrophobicContact CG1-CG1 3.9Å; V30-V34 HydrophobicContact CG1-CG2 4.44Å; A31-V34 HydrophobicContact CB-CG2 3.96Å; A31-V34 WeakPolarHBondContact O-CB 3.41Å; A31-V34 WeakPolarHBondContact O-CG2 3.27Å; A31-V34 PolarHBondContact O-N 3.37Å; A31-V34 VanDerWaalsContact O-N 3.14Å; V34-H107 WeakPolarHBondContact CA-O 3.34Å; V34-H107 HydrophobicContact CB-CB 4.36Å; V34-H107 HydrophobicContact CG1-CB 4.44Å; V34-H107 HydrophobicContact CG2-CB 3.9Å; V34-L109 HydrophobicContact CG1-CB 3.71Å |
| 35 | L | 88.8 | Confident | 81.9 | Confident | 71 Ų | 71 | 66.8 Ų | 66.8 | 37% | 0.372 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 124.6 | 173.5 | -175.6 | 64.2 | 0 | 0 | 0 | 109 | V43 L45 H107 L108 L109 | L35-V43 HydrophobicContact CD2-CG1 3.52Å; L35-V43 HydrophobicContact CG-CG1 4.48Å; L35-L45 HydrophobicContact CD2-CD2 4.14Å; L35-H107 PolarHBondContact N-O 3.16Å; L35-L108 HydrophobicContact CB-CD1 4.36Å; L35-L108 HydrophobicContact CD2-CD1 4.24Å; L35-L108 HydrophobicContact CG-CD1 4.26Å; L35-L108 WeakPolarHBondContact O-CA 3.29Å; L35-L109 PolarHBondContact O-N 2.97Å |
| 36 | T | 89.8 | Confident | 82.9 | Confident | 57 Ų | 57 | 68.4 Ų | 68.4 | 35% | 0.35 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 147 | 176.4 | 50.8 | 0 | 0 | 0 | 0 | 111.7 | V30 L109 | V30-T36 HydrophobicContact CG1-CG2 4.1Å; V30-T36 HydrophobicContact CG2-CG2 4.13Å; T36-L109 CarbonylContact C-O 3.52Å; T36-L109 VanDerWaalsContact CA-O 3.23Å; T36-L109 WeakPolarHBondContact CA-O 3.43Å; T36-L109 HydrophobicContact CG2-CB 4.3Å; T36-L109 HydrophobicContact CG2-CD2 4.27Å |
| 37 | S | 90.4 | Very high | 84 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 8% | 0.077 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 158.8 | 177.5 | 57 | 0 | 0 | 0 | 0 | 111.8 | V43 L109 V110 D111 | S37-V43 VanDerWaalsContact CB-CG2 3.48Å; S37-L109 PolarHBondContact N-O 2.94Å; S37-V110 WeakPolarHBondContact O-CA 3.49Å; S37-D111 PolarHBondContact O-N 3.25Å |
| 38 | L | 91.8 | Very high | 85.3 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 36% | 0.356 | 38% | 0.383 | S | S | . | . | trans | -90.5 | 151.3 | 174.9 | -58 | 173.5 | 0 | 0 | 0 | 110.7 | G40 D41 P113 V198 | L38-G40 PolarHBondContact O-N 3.48Å; L38-D41 WeakPolarHBondContact CB-OD2 3.23Å; L38-D41 PolarHBondContact N-OD2 3.26Å; L38-D41 WeakPolarHBondContact O-CB 3.46Å; L38-D41 PolarHBondContact O-N 3.15Å; L38-P113 HydrophobicContact CD2-CG 3.65Å; L38-V198 HydrophobicContact CD2-CB 4.03Å; L38-V198 HydrophobicContact CD2-CG1 4.3Å; L38-V198 HydrophobicContact CD2-CG2 3.95Å | ||
| 39 | P | 91.1 | Very high | 86.1 | Confident | 48 Ų | 48 | 65.9 Ų | 65.9 | 31% | 0.312 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 134.4 | 170.6 | -23.6 | 32.9 | 0 | 0 | 0 | 111.7 | V86 L88 V110 D111 V112 | P39-V86 CarbonylContact C-O 3.55Å; P39-V86 VanDerWaalsContact CA-O 3.22Å; P39-V86 WeakPolarHBondContact CA-O 3.15Å; P39-L88 HydrophobicContact CG-CD2 4.28Å; P39-L88 HydrophobicContact CG-CG 4.3Å; P39-V110 HydrophobicContact CG-CG1 4.06Å; P39-D111 WeakPolarHBondContact CD-O 3.34Å; P39-V112 HydrophobicContact CG-CG2 3.78Å |
| 40 | G | 91.5 | Very high | 86.8 | Confident | 39 Ų | 39 | 57.2 Ų | 57.2 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | -15.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L38 V86 | L38-G40 PolarHBondContact O-N 3.48Å; G40-V86 PolarHBondContact N-O 3.16Å |
| 41 | D | 92.4 | Very high | 87.2 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | trans | -68.5 | 161.8 | 176.3 | -72.8 | -17.6 | 0 | 0 | 0 | 111.9 | L38 S85 V86 | L38-D41 WeakPolarHBondContact CB-OD2 3.23Å; L38-D41 PolarHBondContact N-OD2 3.26Å; L38-D41 WeakPolarHBondContact O-CB 3.46Å; L38-D41 PolarHBondContact O-N 3.15Å; D41-S85 WeakPolarHBondContact O-CA 3.49Å; D41-S85 PolarHBondContact O-N 2.84Å; D41-V86 WeakPolarHBondContact O-CG2 3.42Å; D41-V86 PolarHBondContact O-N 2.85Å | ||
| 42 | S | 94.3 | Very high | 87.2 | Confident | 79 Ų | 79 | 62.4 Ų | 62.4 | 55% | 0.552 | 37% | 0.373 | S | S | * | . | trans | -104.1 | 120.8 | 168.8 | -64.4 | 0 | 0 | 0 | 0 | 109.9 | L83 | S42-L83 CarbonylContact C-O 3.55Å; S42-L83 VanDerWaalsContact CA-O 3.26Å; S42-L83 WeakPolarHBondContact CA-O 3.48Å | ||
| 43 | V | 93 | Very high | 87.2 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 7% | 0.073 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.5 | -174.1 | -178 | 0 | 0 | 0 | 0 | 109.9 | L35 S37 L45 L83 V86 L108 | L35-V43 HydrophobicContact CD2-CG1 3.52Å; L35-V43 HydrophobicContact CG-CG1 4.48Å; S37-V43 VanDerWaalsContact CB-CG2 3.48Å; V43-L45 HydrophobicContact CG1-CD2 4.11Å; V43-L83 PolarHBondContact N-O 2.58Å; V43-L83 PolarHBondContact O-N 2.96Å; V43-V86 HydrophobicContact CB-CG2 4.13Å; V43-V86 HydrophobicContact CG2-CG2 3.85Å; V43-L108 HydrophobicContact CG1-CD1 3.95Å |
| 44 | T | 91.9 | Very high | 87 | Confident | 65 Ų | 65 | 57.1 Ų | 57.1 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 103 | 175.4 | -56.7 | 0 | 0 | 0 | 0 | 110.3 | R80 L81 L82 | T44-R80 HydrophobicContact CG2-CB 3.95Å; T44-R80 HydrophobicContact CG2-CG 4.19Å; T44-L81 CarbonylContact C-O 3.55Å; T44-L81 WeakPolarHBondContact CA-O 3.48Å; T44-L82 WeakPolarHBondContact OG1-CD1 3.18Å |
| 45 | L | 90.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 134.5 | 173.2 | -55.2 | 178.1 | 0 | 0 | 0 | 109.4 | L35 V43 W60 R80 L81 L83 Y94 V106 L108 | L35-L45 HydrophobicContact CD2-CD2 4.14Å; V43-L45 HydrophobicContact CG1-CD2 4.11Å; L45-W60 HydrophobicContact CB-CH2 3.92Å; L45-W60 HydrophobicContact CB-CZ2 4.48Å; L45-W60 HydrophobicContact CB-CZ3 4.12Å; L45-W60 HydrophobicContact CD1-CZ3 4.46Å; L45-R80 CarbonylContact O-C 3.53Å; L45-R80 VanDerWaalsContact O-CA 3.27Å; L45-R80 WeakPolarHBondContact O-CA 3.46Å; L45-L81 HydrophobicContact CB-CB 4.33Å; L45-L81 HydrophobicContact CD1-CD2 4.23Å; L45-L81 PolarHBondContact N-O 3.01Å; L45-L81 PolarHBondContact O-N 2.87Å; L45-L83 HydrophobicContact CD1-CD1 3.87Å; L45-L83 HydrophobicContact CD1-CG 4.4Å; L45-L83 HydrophobicContact CG-CD1 4.32Å; L45-Y94 HydrophobicContact CD1-CD1 3.32Å; L45-Y94 HydrophobicContact CD1-CD2 3.89Å; L45-Y94 HydrophobicContact CD1-CE1 3.79Å; L45-Y94 HydrophobicContact CD1-CE2 4.33Å; L45-Y94 HydrophobicContact CD1-CG 3.36Å; L45-V106 HydrophobicContact CD2-CG1 3.87Å; L45-L108 HydrophobicContact CD2-CB 4.47Å; L45-L108 HydrophobicContact CD2-CD2 4.48Å |
| 46 | T | 90.8 | Very high | 86 | Confident | 44 Ų | 44 | 58.7 Ų | 58.7 | 27% | 0.27 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122 | 179.9 | -56.5 | 0 | 0 | 0 | 0 | 109.2 | P48 R79 R80 V106 | T46-P48 WeakPolarHBondContact O-CD 3.43Å; T46-R79 HydrophobicContact CG2-CG 4.27Å; T46-R80 PolarHBondContact OG1-NH1 3.15Å; T46-R80 VanDerWaalsContact OG1-NH1 3.15Å; T46-V106 WeakPolarHBondContact O-CG2 3.48Å |
| 47 | C | 89.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | trans | -70 | 123.7 | -179.1 | -175 | 0 | 0 | 0 | 0 | 110.5 | G49 V50 W60 R79 C96 | C47-G49 PolarHBondContact O-N 3.15Å; C47-V50 HydrophobicContact CB-CB 4.42Å; C47-V50 HydrophobicContact CB-CG2 4.25Å; C47-W60 HydrophobicContact CB-CH2 3.89Å; C47-W60 HydrophobicContact CB-CZ2 3.75Å; C47-R79 HydrophobicContact CB-CB 4.33Å; C47-R79 PolarHBondContact N-O 3.07Å; C47-C96 HydrophobicContact CB-CB 3.73Å; C47-C96 WeakPolarHBondContact CB-SG 3.21Å; C47-C96 WeakPolarHBondContact SG-CB 3.4Å; C47-C96 CovalentContact SG-SG 2.04Å; C47-C96 PolarHBondContact SG-SG 3.07Å | ||
| 48 | P | 88.6 | Confident | 85.7 | Confident | 91 Ų | 91 | 59.1 Ų | 59.1 | 59% | 0.591 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -38.8 | -175.7 | -24.7 | 34.4 | 0 | 0 | 0 | 114.4 | T46 V50 | T46-P48 WeakPolarHBondContact O-CD 3.43Å; P48-V50 PolarHBondContact O-N 3.12Å |
| 49 | G | 84.2 | Confident | 85.6 | Confident | 52 Ų | 52 | 60.1 Ų | 60.1 | 54% | 0.536 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 17.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | C47 A103 | C47-G49 PolarHBondContact O-N 3.15Å; G49-A103 WeakPolarHBondContact CA-O 3.24Å; G49-A103 PolarHBondContact N-O 2.96Å |
| 50 | V | 83.3 | Confident | 85.5 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -124.6 | 128.6 | 177.5 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | C47 P48 D54 V58 R79 R98 A103 | C47-V50 HydrophobicContact CB-CB 4.42Å; C47-V50 HydrophobicContact CB-CG2 4.25Å; P48-V50 PolarHBondContact O-N 3.12Å; V50-D54 HydrophobicContact CG1-CB 4.13Å; V50-V58 HydrophobicContact CG1-CG2 4.31Å; V50-V58 HydrophobicContact CG2-CG2 4.14Å; V50-R79 HydrophobicContact CB-CB 3.8Å; V50-R79 HydrophobicContact CG1-CB 3.82Å; V50-R79 WeakPolarHBondContact O-CD 3.25Å; V50-R79 PolarHBondContact O-NH1 2.76Å; V50-R98 HydrophobicContact CG2-CB 4.4Å; V50-A103 HydrophobicContact CG2-CB 4.1Å |
| 51 | E | 81.5 | Confident | 85.4 | Confident | 147 Ų | 147 | 56.7 Ų | 56.7 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | trans | -70.8 | 152.2 | 180 | -72.2 | -170.8 | 169.2 | 0 | 0 | 112.2 | E53 D54 | E51-E53 VanDerWaalsContact C-N 3.31Å; E51-E53 PolarHBondContact O-N 2.82Å; E51-D54 PolarHBondContact O-N 2.89Å | ||
| 52 | P | 74 | Confident | 85.1 | Confident | 85 Ų | 85 | 53.2 Ų | 53.2 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -30 | -175.1 | 18.6 | -26.6 | 0 | 0 | 0 | 115 | D54 | P52-D54 VanDerWaalsContact C-N 3.31Š|
| 53 | E | 73.4 | Confident | 84.4 | Confident | 170 Ų | 170 | 56.4 Ų | 56.4 | 79% | 0.794 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -6.1 | -176.3 | -59 | -73.4 | 141 | 0 | 0 | 112.6 | E51 N55 | E51-E53 VanDerWaalsContact C-N 3.31Å; E51-E53 PolarHBondContact O-N 2.82Å; E53-N55 PolarHBondContact O-N 2.82Å |
| 54 | D | 69.8 | Low | 83.5 | Confident | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.214 | 32% | 0.322 | C | S | . | . | trans | -84.2 | 107.5 | -175.2 | -169.8 | 10.2 | 0 | 0 | 0 | 111 | V50 E51 P52 A56 R98 | V50-D54 HydrophobicContact CG1-CB 4.13Å; E51-D54 PolarHBondContact O-N 2.89Å; P52-D54 VanDerWaalsContact C-N 3.31Å; D54-A56 PolarHBondContact O-N 3.31Å; D54-A56 WeakPolarHBondContact OD1-CB 3.14Å; D54-A56 PolarHBondContact OD1-N 3.25Å; D54-A56 VanDerWaalsContact OD1-N 3.1Å; D54-A56 WeakPolarHBondContact OD2-CB 3.19Å; D54-R98 IonicContact OD1-NH2 3.39Å; D54-R98 IonicContact OD2-CZ 3.64Å; D54-R98 IonicContact OD2-NE 3.58Å; D54-R98 PolarHBondContact OD2-NE 2.88Å; D54-R98 IonicContact OD2-NH2 3.25Å; D54-R98 PolarHBondContact OD2-NH2 2.98Å | ||
| 55 | N | 75.9 | Confident | 82.2 | Confident | 118 Ų | 118 | 61.2 Ų | 61.2 | 63% | 0.631 | 34% | 0.337 | S | S | * | . | trans | -76.1 | 9.7 | 175.2 | -73.3 | -35.3 | 0 | 0 | 0 | 113.4 | E53 M77 | E53-N55 PolarHBondContact O-N 2.82Å; N55-M77 HydrophobicContact CB-CE 3.79Å | ||
| 56 | A | 78.8 | Confident | 81 | Confident | 28 Ų | 28 | 64.2 Ų | 64.2 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | trans | -58.1 | 148.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D54 V58 G78 | D54-A56 PolarHBondContact O-N 3.31Å; D54-A56 WeakPolarHBondContact OD1-CB 3.14Å; D54-A56 PolarHBondContact OD1-N 3.25Å; D54-A56 VanDerWaalsContact OD1-N 3.1Å; D54-A56 WeakPolarHBondContact OD2-CB 3.19Å; A56-V58 PolarHBondContact O-N 3.4Å; A56-G78 PolarHBondContact O-N 2.83Å; A56-G78 VanDerWaalsContact O-N 3.09Å | ||
| 57 | T | 85.1 | Confident | 79.2 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 48% | 0.479 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 124.9 | 172.7 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | A75 | T57-A75 HydrophobicContact CG2-CB 4.49Å |
| 58 | V | 89.1 | Confident | 77.7 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.9 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | V50 A56 G76 G78 C96 | V50-V58 HydrophobicContact CG1-CG2 4.31Å; V50-V58 HydrophobicContact CG2-CG2 4.14Å; A56-V58 PolarHBondContact O-N 3.4Å; V58-G76 PolarHBondContact N-O 3.19Å; V58-G76 PolarHBondContact O-N 2.92Å; V58-G76 VanDerWaalsContact O-N 3.14Å; V58-G78 WeakPolarHBondContact CG2-O 3.42Å; V58-C96 HydrophobicContact CG1-CB 3.82Å |
| 59 | H | 89.2 | Confident | 76.5 | Confident | 88 Ų | 88 | 69 Ų | 69 | 41% | 0.407 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 130.7 | 174.8 | -64.9 | -73.3 | 0 | 0 | 0 | 110.3 | W74 C96 Y97 | H59-W74 WeakPolarHBondContact CA-O 3.04Å; H59-C96 CarbonylContact O-C 3.57Å; H59-C96 WeakPolarHBondContact O-CA 3.43Å; H59-Y97 PolarHBondContact N-O 2.83Å; H59-Y97 PolarHBondContact O-N 3.43Å |
| 60 | W | 89.1 | Confident | 75.7 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.1 | 178.1 | -69.2 | 87.8 | 0 | 0 | 0 | 110.4 | L45 C47 R73 W74 L81 S95 C96 V106 | L45-W60 HydrophobicContact CB-CH2 3.92Å; L45-W60 HydrophobicContact CB-CZ2 4.48Å; L45-W60 HydrophobicContact CB-CZ3 4.12Å; L45-W60 HydrophobicContact CD1-CZ3 4.46Å; C47-W60 HydrophobicContact CB-CH2 3.89Å; C47-W60 HydrophobicContact CB-CZ2 3.75Å; W60-R73 WeakPolarHBondContact O-CA 3.46Å; W60-W74 HydrophobicContact CB-CB 4.41Å; W60-W74 HydrophobicContact CB-CE3 4.33Å; W60-W74 PolarHBondContact N-O 3.3Å; W60-W74 PolarHBondContact O-N 2.72Å; W60-L81 HydrophobicContact CB-CD2 3.85Å; W60-L81 HydrophobicContact CD2-CB 4.13Å; W60-L81 HydrophobicContact CD2-CD2 4.04Å; W60-L81 HydrophobicContact CG-CB 4.24Å; W60-L81 HydrophobicContact CG-CD2 3.75Å; W60-L81 HydrophobicContact CG-CG 4.48Å; W60-L81 HydrophobicContact CZ2-CB 4.24Å; W60-S95 WeakPolarHBondContact CA-O 3.38Å; W60-C96 HydrophobicContact CD2-CB 3.96Å; W60-C96 HydrophobicContact CE3-CB 3.84Å; W60-C96 HydrophobicContact CH2-CB 3.94Å; W60-C96 HydrophobicContact CZ2-CB 4.03Å; W60-C96 HydrophobicContact CZ3-CB 3.83Å; W60-V106 HydrophobicContact CH2-CG2 4.29Å; W60-V106 HydrophobicContact CZ3-CG2 4.25Å |
| 61 | V | 89.2 | Confident | 75.2 | Confident | 16 Ų | 16 | 78 Ų | 78 | 10% | 0.097 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 120.6 | 177.2 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | P71 S72 R73 S95 Y97 | V61-P71 HydrophobicContact CG1-CB 4.01Å; V61-S72 WeakPolarHBondContact CA-O 3.38Å; V61-R73 HydrophobicContact CG2-CG 4.44Å; V61-S95 PolarHBondContact N-O 2.89Å; V61-S95 PolarHBondContact O-N 2.82Å; V61-Y97 HydrophobicContact CB-CE2 4.11Å; V61-Y97 HydrophobicContact CG2-CD2 3.98Å; V61-Y97 HydrophobicContact CG2-CE2 3.73Å |
| 62 | L | 86.2 | Confident | 75.1 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 124.8 | 172.7 | 171.9 | 61 | 0 | 0 | 0 | 109.7 | K64 S72 W74 Y94 | L62-K64 HydrophobicContact CD2-CD 4.49Å; L62-K64 HydrophobicContact CD2-CG 3.91Å; L62-K64 HydrophobicContact CG-CG 3.95Å; L62-S72 PolarHBondContact N-O 2.73Å; L62-W74 HydrophobicContact CB-CH2 3.7Å; L62-W74 HydrophobicContact CB-CZ3 3.47Å; L62-W74 VanDerWaalsContact CB-CZ3 3.47Å; L62-W74 HydrophobicContact CD2-CH2 3.91Å; L62-W74 HydrophobicContact CG-CH2 4.48Å; L62-Y94 HydrophobicContact CB-CD1 4.19Å; L62-Y94 HydrophobicContact CB-CE1 3.99Å; L62-Y94 HydrophobicContact CD1-CD1 4.19Å; L62-Y94 HydrophobicContact CD1-CD2 3.85Å; L62-Y94 HydrophobicContact CD1-CE1 3.87Å; L62-Y94 HydrophobicContact CD1-CE2 3.46Å; L62-Y94 VanDerWaalsContact CD1-CE2 3.46Å; L62-Y94 HydrophobicContact CD1-CG 4.19Å; L62-Y94 VanDerWaalsContact CD1-CZ 3.49Å; L62-Y94 HydrophobicContact CD2-CE1 4.16Å; L62-Y94 HydrophobicContact CG-CE1 4.22Å |
| 63 | R | 80.1 | Confident | 75.6 | Confident | 146 Ų | 146 | 78.4 Ų | 78.4 | 55% | 0.551 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 110.6 | 164.7 | -66 | -177.8 | -177.8 | 148.7 | 0.4 | 108.3 | N93 | R63-N93 PolarHBondContact N-O 2.85Å; R63-N93 PolarHBondContact O-N 3.36Å |
| 64 | K | 72.8 | Confident | 76.1 | Confident | 67 Ų | 67 | 74.6 Ų | 74.6 | 29% | 0.291 | 42% | 0.422 | S | S | . | . | trans | -77.6 | 150.1 | 177.7 | -60.9 | -176.9 | 173.8 | -171.7 | 0 | 109.9 | L62 A66 S69 | L62-K64 HydrophobicContact CD2-CD 4.49Å; L62-K64 HydrophobicContact CD2-CG 3.91Å; L62-K64 HydrophobicContact CG-CG 3.95Å; K64-A66 PolarHBondContact O-N 3.15Å; K64-S69 WeakPolarHBondContact CB-OG 3.32Å | ||
| 65 | P | 65.9 | Low | 76.5 | Confident | 110 Ų | 110 | 76 Ų | 76 | 71% | 0.714 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -64.1 | -20.7 | 176.9 | -21.8 | 32.4 | 0 | 0 | 0 | 114.3 | S91 | P65-S91 VanDerWaalsContact CD-O 3.23Å; P65-S91 WeakPolarHBondContact CD-O 3.17Å |
| 66 | A | 65.4 | Low | 76.6 | Confident | 64 Ų | 64 | 71.4 Ų | 71.4 | 53% | 0.529 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -72.3 | 128.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K64 G68 S69 | K64-A66 PolarHBondContact O-N 3.15Å; A66-G68 PolarHBondContact O-N 2.83Å; A66-S69 WeakPolarHBondContact O-CB 3.44Å; A66-S69 PolarHBondContact O-N 2.92Å; A66-S69 PolarHBondContact O-OG 3.05Å |
| 67 | A | 52 | Low | 76.5 | Confident | 109 Ų | 109 | 77 Ų | 77 | 90% | 0.901 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 124.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 68 | G | 58.2 | Low | 76.2 | Confident | 80 Ų | 80 | 73.9 Ų | 73.9 | 83% | 0.825 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | 8.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116 | A66 | A66-G68 PolarHBondContact O-N 2.83Š|
| 69 | S | 62.9 | Low | 76.1 | Confident | 45 Ų | 45 | 76.8 Ų | 76.8 | 32% | 0.315 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 135.6 | 178.1 | 57.1 | 0 | 0 | 0 | 0 | 113.4 | K64 A66 | K64-S69 WeakPolarHBondContact CB-OG 3.32Å; A66-S69 WeakPolarHBondContact O-CB 3.44Å; A66-S69 PolarHBondContact O-N 2.92Å; A66-S69 PolarHBondContact O-OG 3.05Å |
| 70 | H | 67.3 | Low | 76.1 | Confident | 172 Ų | 172 | 79.3 Ų | 79.3 | 80% | 0.796 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 135.4 | 172.7 | -72.4 | -72.6 | 0 | 0 | 0 | 110.8 | S72 | H70-S72 PolarHBondContact O-N 3.49Š|
| 71 | P | 73.9 | Confident | 76.1 | Confident | 73 Ų | 73 | 80.2 Ų | 80.2 | 47% | 0.474 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 119.7 | 178.4 | -11.9 | 25.2 | 0 | 0 | 0 | 110.6 | V61 | V61-P71 HydrophobicContact CG1-CB 4.01Š|
| 72 | S | 79.5 | Confident | 76.2 | Confident | 43 Ų | 43 | 83.4 Ų | 83.4 | 30% | 0.301 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 136.8 | 169.5 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | V61 L62 H70 W74 | V61-S72 WeakPolarHBondContact CA-O 3.38Å; L62-S72 PolarHBondContact N-O 2.73Å; H70-S72 PolarHBondContact O-N 3.49Å; S72-W74 WeakPolarHBondContact O-CZ3 3.39Å |
| 73 | R | 83.1 | Confident | 76.4 | Confident | 198 Ų | 198 | 84.4 Ų | 84.4 | 75% | 0.747 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134.1 | -178.4 | -64 | -176 | -174.5 | -130.8 | 2.9 | 110.5 | W60 V61 | W60-R73 WeakPolarHBondContact O-CA 3.46Å; V61-R73 HydrophobicContact CG2-CG 4.44Å |
| 74 | W | 84.1 | Confident | 76.9 | Confident | 91 Ų | 91 | 86.9 Ų | 86.9 | 35% | 0.345 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 151.2 | 172.5 | -56.3 | -94.6 | 0 | 0 | 0 | 109.9 | H59 W60 L62 S72 L81 Y94 | H59-W74 WeakPolarHBondContact CA-O 3.04Å; W60-W74 HydrophobicContact CB-CB 4.41Å; W60-W74 HydrophobicContact CB-CE3 4.33Å; W60-W74 PolarHBondContact N-O 3.3Å; W60-W74 PolarHBondContact O-N 2.72Å; L62-W74 HydrophobicContact CB-CH2 3.7Å; L62-W74 HydrophobicContact CB-CZ3 3.47Å; L62-W74 VanDerWaalsContact CB-CZ3 3.47Å; L62-W74 HydrophobicContact CD2-CH2 3.91Å; L62-W74 HydrophobicContact CG-CH2 4.48Å; S72-W74 WeakPolarHBondContact O-CZ3 3.39Å; W74-L81 HydrophobicContact CB-CD1 4.19Å; W74-L81 HydrophobicContact CE3-CD2 4.46Å; W74-Y94 HydrophobicContact CH2-CE1 4.25Å; W74-Y94 HydrophobicContact CZ3-CD1 4.48Å; W74-Y94 HydrophobicContact CZ3-CE1 4.18Å |
| 75 | A | 79 | Confident | 77.9 | Confident | 69 Ų | 69 | 87 Ų | 87 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 129.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108 | T57 | T57-A75 HydrophobicContact CG2-CB 4.49Å |
| 76 | G | 77.3 | Confident | 79.1 | Confident | 22 Ų | 22 | 81.7 Ų | 81.7 | 23% | 0.227 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 152.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V58 | V58-G76 PolarHBondContact N-O 3.19Å; V58-G76 PolarHBondContact O-N 2.92Å; V58-G76 VanDerWaalsContact O-N 3.14Å |
| 77 | M | 76.6 | Confident | 80.3 | Confident | 144 Ų | 144 | 82.3 Ų | 82.3 | 71% | 0.709 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 128.6 | 171.7 | -169.2 | 170.4 | -178.2 | 0 | 0 | 109.2 | N55 | N55-M77 HydrophobicContact CB-CE 3.79Å |
| 78 | G | 80.1 | Confident | 82 | Confident | 13 Ų | 13 | 81.3 Ų | 81.3 | 13% | 0.134 | 42% | 0.424 | C | S | . | . | S | Bend | trans | 80.6 | 177.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A56 V58 R80 | A56-G78 PolarHBondContact O-N 2.83Å; A56-G78 VanDerWaalsContact O-N 3.09Å; V58-G78 WeakPolarHBondContact CG2-O 3.42Å; G78-R80 VanDerWaalsContact C-N 3.32Å; G78-R80 PolarHBondContact O-N 2.81Å |
| 79 | R | 86.8 | Confident | 83.2 | Confident | 61 Ų | 61 | 83.1 Ų | 83.1 | 23% | 0.23 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -80 | -0.7 | -169.5 | 72.2 | 178.1 | -175.7 | 165.3 | 0.4 | 116.4 | T46 C47 V50 | T46-R79 HydrophobicContact CG2-CG 4.27Å; C47-R79 HydrophobicContact CB-CB 4.33Å; C47-R79 PolarHBondContact N-O 3.07Å; V50-R79 HydrophobicContact CB-CB 3.8Å; V50-R79 HydrophobicContact CG1-CB 3.82Å; V50-R79 WeakPolarHBondContact O-CD 3.25Å; V50-R79 PolarHBondContact O-NH1 2.76Å |
| 80 | R | 88.4 | Confident | 84.4 | Confident | 141 Ų | 141 | 82.8 Ų | 82.8 | 53% | 0.532 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 137.1 | -171.2 | -63.8 | -177.4 | -173.6 | -87.7 | 9.9 | 111.2 | T44 L45 T46 G78 | T44-R80 HydrophobicContact CG2-CB 3.95Å; T44-R80 HydrophobicContact CG2-CG 4.19Å; L45-R80 CarbonylContact O-C 3.53Å; L45-R80 VanDerWaalsContact O-CA 3.27Å; L45-R80 WeakPolarHBondContact O-CA 3.46Å; T46-R80 PolarHBondContact OG1-NH1 3.15Å; T46-R80 VanDerWaalsContact OG1-NH1 3.15Å; G78-R80 VanDerWaalsContact C-N 3.32Å; G78-R80 PolarHBondContact O-N 2.81Å |
| 81 | L | 89.4 | Confident | 85.5 | Confident | 20 Ų | 20 | 75.4 Ų | 75.4 | 11% | 0.105 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121.8 | 170.6 | -179.9 | 69 | 0 | 0 | 0 | 109.1 | T44 L45 W60 W74 L83 | T44-L81 CarbonylContact C-O 3.55Å; T44-L81 WeakPolarHBondContact CA-O 3.48Å; L45-L81 HydrophobicContact CB-CB 4.33Å; L45-L81 HydrophobicContact CD1-CD2 4.23Å; L45-L81 PolarHBondContact N-O 3.01Å; L45-L81 PolarHBondContact O-N 2.87Å; W60-L81 HydrophobicContact CB-CD2 3.85Å; W60-L81 HydrophobicContact CD2-CB 4.13Å; W60-L81 HydrophobicContact CD2-CD2 4.04Å; W60-L81 HydrophobicContact CG-CB 4.24Å; W60-L81 HydrophobicContact CG-CD2 3.75Å; W60-L81 HydrophobicContact CG-CG 4.48Å; W60-L81 HydrophobicContact CZ2-CB 4.24Å; W74-L81 HydrophobicContact CB-CD1 4.19Å; W74-L81 HydrophobicContact CE3-CD2 4.46Å; L81-L83 HydrophobicContact CD2-CD2 4.14Å; L81-L83 HydrophobicContact CG-CD2 4.32Å |
| 82 | L | 90.8 | Very high | 86.2 | Confident | 83 Ų | 83 | 72.1 Ų | 72.1 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 117.8 | 176 | -178.6 | 68 | 0 | 0 | 0 | 110 | T44 R84 | T44-L82 WeakPolarHBondContact OG1-CD1 3.18Å; L82-R84 HydrophobicContact CD2-CG 4.08Å; L82-R84 HydrophobicContact CG-CG 4.16Å |
| 83 | L | 90.4 | Very high | 86.7 | Confident | 22 Ų | 22 | 73.2 Ų | 73.2 | 12% | 0.115 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 124.9 | 167.3 | -56.8 | 177.3 | 0 | 0 | 0 | 108 | S42 V43 L45 L81 V86 Y94 L108 | S42-L83 CarbonylContact C-O 3.55Å; S42-L83 VanDerWaalsContact CA-O 3.26Å; S42-L83 WeakPolarHBondContact CA-O 3.48Å; V43-L83 PolarHBondContact N-O 2.58Å; V43-L83 PolarHBondContact O-N 2.96Å; L45-L83 HydrophobicContact CD1-CD1 3.87Å; L45-L83 HydrophobicContact CD1-CG 4.4Å; L45-L83 HydrophobicContact CG-CD1 4.32Å; L81-L83 HydrophobicContact CD2-CD2 4.14Å; L81-L83 HydrophobicContact CG-CD2 4.32Å; L83-V86 HydrophobicContact CB-CG2 3.66Å; L83-Y94 HydrophobicContact CD1-CE1 3.78Å; L83-Y94 HydrophobicContact CD1-CE2 4.48Å; L83-Y94 WeakPolarHBondContact CD1-OH 3.46Å; L83-L108 HydrophobicContact CD1-CD2 3.83Å |
| 84 | R | 92.1 | Very high | 87 | Confident | 198 Ų | 198 | 63.8 Ų | 63.8 | 75% | 0.747 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -102.8 | 138.2 | 179.5 | -66.7 | -175.7 | 178.5 | 178.8 | -0.5 | 109.8 | L82 V86 | L82-R84 HydrophobicContact CD2-CG 4.08Å; L82-R84 HydrophobicContact CG-CG 4.16Å; R84-V86 PolarHBondContact O-N 2.97Å |
| 85 | S | 91.9 | Very high | 87.4 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 52.5 | 54.5 | 176.8 | -159.6 | 0 | 0 | 0 | 0 | 112.7 | D41 Q87 | D41-S85 WeakPolarHBondContact O-CA 3.49Å; D41-S85 PolarHBondContact O-N 2.84Å; S85-Q87 PolarHBondContact O-NE2 2.71Å |
| 86 | V | 91.7 | Very high | 88 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -61.8 | 142.9 | -174 | -170.3 | 0 | 0 | 0 | 0 | 110.7 | P39 G40 D41 V43 L83 R84 D90 L108 V110 | P39-V86 CarbonylContact C-O 3.55Å; P39-V86 VanDerWaalsContact CA-O 3.22Å; P39-V86 WeakPolarHBondContact CA-O 3.15Å; G40-V86 PolarHBondContact N-O 3.16Å; D41-V86 WeakPolarHBondContact O-CG2 3.42Å; D41-V86 PolarHBondContact O-N 2.85Å; V43-V86 HydrophobicContact CB-CG2 4.13Å; V43-V86 HydrophobicContact CG2-CG2 3.85Å; L83-V86 HydrophobicContact CB-CG2 3.66Å; R84-V86 PolarHBondContact O-N 2.97Å; V86-D90 HydrophobicContact CG1-CB 3.53Å; V86-L108 HydrophobicContact CG1-CD2 4.22Å; V86-V110 HydrophobicContact CB-CG2 4.45Å; V86-V110 HydrophobicContact CG1-CB 4.42Å; V86-V110 HydrophobicContact CG1-CG1 4.29Å; V86-V110 HydrophobicContact CG1-CG2 3.33Å | ||
| 87 | Q | 90.9 | Very high | 88.6 | Confident | 77 Ų | 77 | 58.2 Ų | 58.2 | 36% | 0.36 | 28% | 0.278 | S | S | . | . | trans | -116.4 | 166.4 | 178.6 | -60.8 | -59.8 | -41.6 | 0 | 0 | 111.8 | S85 H89 D90 | S85-Q87 PolarHBondContact O-NE2 2.71Å; Q87-H89 WeakPolarHBondContact CB-CE1 3.41Å; Q87-H89 PolarHBondContact O-N 3.03Å; Q87-H89 VanDerWaalsContact O-N 3.08Å; Q87-D90 PolarHBondContact N-OD2 2.83Å; Q87-D90 WeakPolarHBondContact O-CB 3.09Å; Q87-D90 PolarHBondContact O-N 3.26Å | ||
| 88 | L | 86.6 | Confident | 89.1 | Confident | 88 Ų | 88 | 56.9 Ų | 56.9 | 46% | 0.461 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -51.3 | -36.6 | 177.9 | -73.8 | 177 | 0 | 0 | 0 | 113.2 | P39 D90 S91 V110 V112 | P39-L88 HydrophobicContact CG-CD2 4.28Å; P39-L88 HydrophobicContact CG-CG 4.3Å; L88-D90 VanDerWaalsContact C-N 3.26Å; L88-D90 PolarHBondContact O-N 2.92Å; L88-S91 WeakPolarHBondContact O-CB 3.5Å; L88-S91 PolarHBondContact O-N 3.36Å; L88-S91 PolarHBondContact O-OG 2.82Å; L88-V110 WeakPolarHBondContact CD2-O 3.17Å; L88-V112 HydrophobicContact CD1-CG2 4.27Å; L88-V112 HydrophobicContact CD2-CG2 3.98Å; L88-V112 HydrophobicContact CG-CG2 4.41Å |
| 89 | H | 84.9 | Confident | 89.3 | Confident | 118 Ų | 118 | 60.9 Ų | 60.9 | 55% | 0.546 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -76.5 | -6.3 | -179.1 | 63.2 | -109.8 | 0 | 0 | 0 | 114.9 | Q87 S91 | Q87-H89 WeakPolarHBondContact CB-CE1 3.41Å; Q87-H89 PolarHBondContact O-N 3.03Å; Q87-H89 VanDerWaalsContact O-N 3.08Å; H89-S91 VanDerWaalsContact C-N 3.28Å |
| 90 | D | 88 | Confident | 89 | Confident | 37 Ų | 37 | 61 Ų | 61 | 20% | 0.198 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -86.3 | -4.3 | 172.7 | -63.5 | -39.5 | 0 | 0 | 0 | 112 | V86 Q87 L88 Y94 | V86-D90 HydrophobicContact CG1-CB 3.53Å; Q87-D90 PolarHBondContact N-OD2 2.83Å; Q87-D90 WeakPolarHBondContact O-CB 3.09Å; Q87-D90 PolarHBondContact O-N 3.26Å; L88-D90 VanDerWaalsContact C-N 3.26Å; L88-D90 PolarHBondContact O-N 2.92Å; D90-Y94 WeakPolarHBondContact O-CE2 2.91Å; D90-Y94 PolarHBondContact O-OH 3.33Å |
| 91 | S | 89.2 | Confident | 88.9 | Confident | 18 Ų | 18 | 63.7 Ų | 63.7 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | trans | -60.3 | 134.7 | 170 | -59 | 0 | 0 | 0 | 0 | 110.9 | P65 L88 H89 L108 V110 | P65-S91 VanDerWaalsContact CD-O 3.23Å; P65-S91 WeakPolarHBondContact CD-O 3.17Å; L88-S91 WeakPolarHBondContact O-CB 3.5Å; L88-S91 PolarHBondContact O-N 3.36Å; L88-S91 PolarHBondContact O-OG 2.82Å; H89-S91 VanDerWaalsContact C-N 3.28Å; S91-L108 CarbonylContact C-O 3.55Å; S91-L108 WeakPolarHBondContact CA-O 3.37Å; S91-V110 WeakPolarHBondContact OG-CB 3.46Å; S91-V110 PolarHBondContact OG-N 2.9Å; S91-V110 PolarHBondContact OG-O 2.9Å | ||
| 92 | G | 88.6 | Confident | 88.9 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.3 | -167.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L108 | G92-L108 PolarHBondContact N-O 2.86Å; G92-L108 PolarHBondContact O-N 2.9Å |
| 93 | N | 90.3 | Very high | 88.8 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 35% | 0.348 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 112 | -173.7 | -66 | -3.3 | 0 | 0 | 0 | 109.8 | R63 T105 H107 | R63-N93 PolarHBondContact N-O 2.85Å; R63-N93 PolarHBondContact O-N 3.36Å; N93-T105 HydrophobicContact CB-CG2 4.08Å; N93-H107 VanDerWaalsContact CG-CD2 3.42Å; N93-H107 PolarHBondContact ND2-NE2 3.36Å; N93-H107 PolarHBondContact OD1-CD2 3.27Å |
| 94 | Y | 90.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 65 Ų | 65 | 0% | 0.004 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 102.4 | 178.6 | -69.4 | -97.9 | 0 | 0 | 0 | 109.3 | L45 L62 W74 L83 D90 T105 V106 L108 | L45-Y94 HydrophobicContact CD1-CD1 3.32Å; L45-Y94 HydrophobicContact CD1-CD2 3.89Å; L45-Y94 HydrophobicContact CD1-CE1 3.79Å; L45-Y94 HydrophobicContact CD1-CE2 4.33Å; L45-Y94 HydrophobicContact CD1-CG 3.36Å; L62-Y94 HydrophobicContact CB-CD1 4.19Å; L62-Y94 HydrophobicContact CB-CE1 3.99Å; L62-Y94 HydrophobicContact CD1-CD1 4.19Å; L62-Y94 HydrophobicContact CD1-CD2 3.85Å; L62-Y94 HydrophobicContact CD1-CE1 3.87Å; L62-Y94 HydrophobicContact CD1-CE2 3.46Å; L62-Y94 VanDerWaalsContact CD1-CE2 3.46Å; L62-Y94 HydrophobicContact CD1-CG 4.19Å; L62-Y94 VanDerWaalsContact CD1-CZ 3.49Å; L62-Y94 HydrophobicContact CD2-CE1 4.16Å; L62-Y94 HydrophobicContact CG-CE1 4.22Å; W74-Y94 HydrophobicContact CH2-CE1 4.25Å; W74-Y94 HydrophobicContact CZ3-CD1 4.48Å; W74-Y94 HydrophobicContact CZ3-CE1 4.18Å; L83-Y94 HydrophobicContact CD1-CE1 3.78Å; L83-Y94 HydrophobicContact CD1-CE2 4.48Å; L83-Y94 WeakPolarHBondContact CD1-OH 3.46Å; D90-Y94 WeakPolarHBondContact O-CE2 2.91Å; D90-Y94 PolarHBondContact O-OH 3.33Å; Y94-T105 CarbonylContact O-C 3.5Å; Y94-T105 WeakPolarHBondContact O-CA 3.27Å; Y94-V106 PolarHBondContact N-O 3.03Å; Y94-V106 PolarHBondContact O-N 2.91Å; Y94-L108 HydrophobicContact CD2-CB 3.88Å; Y94-L108 HydrophobicContact CE2-CB 3.67Å; Y94-L108 HydrophobicContact CE2-CD2 3.74Å; Y94-L108 HydrophobicContact CE2-CG 4.32Å |
| 95 | S | 91.6 | Very high | 88.7 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 5% | 0.049 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.8 | 177.5 | -54.9 | 0 | 0 | 0 | 0 | 109.8 | W60 V61 | W60-S95 WeakPolarHBondContact CA-O 3.38Å; V61-S95 PolarHBondContact N-O 2.89Å; V61-S95 PolarHBondContact O-N 2.82Å |
| 96 | C | 91.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 140.6 | 174.8 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | C47 V58 H59 W60 A103 G104 | C47-C96 HydrophobicContact CB-CB 3.73Å; C47-C96 WeakPolarHBondContact CB-SG 3.21Å; C47-C96 WeakPolarHBondContact SG-CB 3.4Å; C47-C96 CovalentContact SG-SG 2.04Å; C47-C96 PolarHBondContact SG-SG 3.07Å; V58-C96 HydrophobicContact CG1-CB 3.82Å; H59-C96 CarbonylContact O-C 3.57Å; H59-C96 WeakPolarHBondContact O-CA 3.43Å; W60-C96 HydrophobicContact CD2-CB 3.96Å; W60-C96 HydrophobicContact CE3-CB 3.84Å; W60-C96 HydrophobicContact CH2-CB 3.94Å; W60-C96 HydrophobicContact CZ2-CB 4.03Å; W60-C96 HydrophobicContact CZ3-CB 3.83Å; C96-A103 PolarHBondContact O-N 2.93Å; C96-G104 PolarHBondContact N-O 2.98Å; C96-G104 PolarHBondContact SG-O 3.3Å; C96-G104 VanDerWaalsContact SG-O 3.34Å |
| 97 | Y | 89.9 | Confident | 88.6 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 23% | 0.227 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132.9 | -179.4 | -63.3 | -96.7 | 0 | 0 | 0 | 110.5 | H59 V61 R101 P102 | H59-Y97 PolarHBondContact N-O 2.83Å; H59-Y97 PolarHBondContact O-N 3.43Å; V61-Y97 HydrophobicContact CB-CE2 4.11Å; V61-Y97 HydrophobicContact CG2-CD2 3.98Å; V61-Y97 HydrophobicContact CG2-CE2 3.73Å; Y97-R101 CarbonylContact C-O 3.52Å; Y97-R101 WeakPolarHBondContact CA-O 3.47Å; Y97-P102 HydrophobicContact CD1-CB 4.3Å; Y97-P102 HydrophobicContact CE1-CB 4.09Å |
| 98 | R | 88 | Confident | 88.6 | Confident | 115 Ų | 115 | 56.3 Ų | 56.3 | 43% | 0.434 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.7 | 174.6 | -175.2 | -177.1 | -177.3 | -132.7 | -1 | 108.6 | V50 D54 G100 R101 A103 | V50-R98 HydrophobicContact CG2-CB 4.4Å; D54-R98 IonicContact OD1-NH2 3.39Å; D54-R98 IonicContact OD2-CZ 3.64Å; D54-R98 IonicContact OD2-NE 3.58Å; D54-R98 PolarHBondContact OD2-NE 2.88Å; D54-R98 IonicContact OD2-NH2 3.25Å; D54-R98 PolarHBondContact OD2-NH2 2.98Å; R98-G100 PolarHBondContact O-N 2.69Å; R98-G100 VanDerWaalsContact O-N 3.09Å; R98-R101 PolarHBondContact N-O 2.97Å; R98-R101 PolarHBondContact O-N 2.83Å; R98-A103 HydrophobicContact CB-CB 4.31Å |
| 99 | A | 84.3 | Confident | 88.8 | Confident | 97 Ų | 97 | 53.9 Ų | 53.9 | 80% | 0.802 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 39.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R101 | A99-R101 VanDerWaalsContact C-N 3.31Å; A99-R101 PolarHBondContact O-N 2.67Å |
| 100 | G | 80.9 | Confident | 89.1 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 66% | 0.66 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | -5.3 | -179 | 0 | 0 | 0 | 0 | 0 | 116.1 | R98 | R98-G100 PolarHBondContact O-N 2.69Å; R98-G100 VanDerWaalsContact O-N 3.09Å |
| 101 | R | 86.4 | Confident | 89.2 | Confident | 197 Ų | 197 | 46.7 Ų | 46.7 | 74% | 0.743 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 141.7 | 177.5 | -62.2 | -175.6 | -179.3 | -168 | -0 | 111.5 | Y97 R98 A99 A103 | Y97-R101 CarbonylContact C-O 3.52Å; Y97-R101 WeakPolarHBondContact CA-O 3.47Å; R98-R101 PolarHBondContact N-O 2.97Å; R98-R101 PolarHBondContact O-N 2.83Å; A99-R101 VanDerWaalsContact C-N 3.31Å; A99-R101 PolarHBondContact O-N 2.67Å; R101-A103 PolarHBondContact O-N 2.86Å |
| 102 | P | 89.3 | Confident | 89.2 | Confident | 107 Ų | 107 | 49 Ų | 49 | 70% | 0.695 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 124.9 | 176.8 | 27.8 | -33.3 | 0 | 0 | 0 | 110.2 | Y97 | Y97-P102 HydrophobicContact CD1-CB 4.3Å; Y97-P102 HydrophobicContact CE1-CB 4.09Å |
| 103 | A | 88.6 | Confident | 89.3 | Confident | 20 Ų | 20 | 51.7 Ų | 51.7 | 17% | 0.165 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -9.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G49 V50 C96 R98 R101 | G49-A103 WeakPolarHBondContact CA-O 3.24Å; G49-A103 PolarHBondContact N-O 2.96Å; V50-A103 HydrophobicContact CG2-CB 4.1Å; C96-A103 PolarHBondContact O-N 2.93Å; R98-A103 HydrophobicContact CB-CB 4.31Å; R101-A103 PolarHBondContact O-N 2.86Å |
| 104 | G | 89.1 | Confident | 89.4 | Confident | 25 Ų | 25 | 49.3 Ų | 49.3 | 26% | 0.258 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.8 | 175 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C96 | C96-G104 PolarHBondContact N-O 2.98Å; C96-G104 PolarHBondContact SG-O 3.3Å; C96-G104 VanDerWaalsContact SG-O 3.34Å |
| 105 | T | 90.6 | Very high | 89.6 | Confident | 64 Ų | 64 | 51.3 Ų | 51.3 | 39% | 0.393 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.7 | 177.8 | -55.5 | 0 | 0 | 0 | 0 | 109.8 | N93 Y94 | N93-T105 HydrophobicContact CB-CG2 4.08Å; Y94-T105 CarbonylContact O-C 3.5Å; Y94-T105 WeakPolarHBondContact O-CA 3.27Å |
| 106 | V | 91 | Very high | 89.7 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.9 | 172 | -175.4 | 0 | 0 | 0 | 0 | 108 | L45 T46 W60 Y94 | L45-V106 HydrophobicContact CD2-CG1 3.87Å; T46-V106 WeakPolarHBondContact O-CG2 3.48Å; W60-V106 HydrophobicContact CH2-CG2 4.29Å; W60-V106 HydrophobicContact CZ3-CG2 4.25Å; Y94-V106 PolarHBondContact N-O 3.03Å; Y94-V106 PolarHBondContact O-N 2.91Å |
| 107 | H | 90.7 | Very high | 89.9 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 34% | 0.338 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 116.5 | 177.2 | -64.7 | 74.1 | 0 | 0 | 0 | 107.8 | V34 L35 N93 | V34-H107 WeakPolarHBondContact CA-O 3.34Å; V34-H107 HydrophobicContact CB-CB 4.36Å; V34-H107 HydrophobicContact CG1-CB 4.44Å; V34-H107 HydrophobicContact CG2-CB 3.9Å; L35-H107 PolarHBondContact N-O 3.16Å; N93-H107 VanDerWaalsContact CG-CD2 3.42Å; N93-H107 PolarHBondContact ND2-NE2 3.36Å; N93-H107 PolarHBondContact OD1-CD2 3.27Å |
| 108 | L | 90.9 | Very high | 90.2 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126.4 | 177.2 | 179 | 64.7 | 0 | 0 | 0 | 109.2 | L35 V43 L45 L83 V86 S91 G92 Y94 V110 | L35-L108 HydrophobicContact CB-CD1 4.36Å; L35-L108 HydrophobicContact CD2-CD1 4.24Å; L35-L108 HydrophobicContact CG-CD1 4.26Å; L35-L108 WeakPolarHBondContact O-CA 3.29Å; V43-L108 HydrophobicContact CG1-CD1 3.95Å; L45-L108 HydrophobicContact CD2-CB 4.47Å; L45-L108 HydrophobicContact CD2-CD2 4.48Å; L83-L108 HydrophobicContact CD1-CD2 3.83Å; V86-L108 HydrophobicContact CG1-CD2 4.22Å; S91-L108 CarbonylContact C-O 3.55Å; S91-L108 WeakPolarHBondContact CA-O 3.37Å; G92-L108 PolarHBondContact N-O 2.86Å; G92-L108 PolarHBondContact O-N 2.9Å; Y94-L108 HydrophobicContact CD2-CB 3.88Å; Y94-L108 HydrophobicContact CE2-CB 3.67Å; Y94-L108 HydrophobicContact CE2-CD2 3.74Å; Y94-L108 HydrophobicContact CE2-CG 4.32Å; L108-V110 HydrophobicContact CD2-CG2 4.18Å; L108-V110 HydrophobicContact CG-CG2 4.07Å |
| 109 | L | 90.8 | Very high | 90.6 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 20% | 0.199 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 112 | 172.6 | 177 | 61 | 0 | 0 | 0 | 108.9 | V34 L35 T36 S37 D111 T143 S197 | V34-L109 HydrophobicContact CG1-CB 3.71Å; L35-L109 PolarHBondContact O-N 2.97Å; T36-L109 CarbonylContact C-O 3.52Å; T36-L109 VanDerWaalsContact CA-O 3.23Å; T36-L109 WeakPolarHBondContact CA-O 3.43Å; T36-L109 HydrophobicContact CG2-CB 4.3Å; T36-L109 HydrophobicContact CG2-CD2 4.27Å; S37-L109 PolarHBondContact N-O 2.94Å; L109-D111 HydrophobicContact CG-CB 4.36Å; L109-T143 HydrophobicContact CD1-CG2 4.3Å; L109-T143 HydrophobicContact CD2-CG2 4.11Å; L109-S197 WeakPolarHBondContact CD2-OG 3.31Å |
| 110 | V | 90.7 | Very high | 91.2 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 119.3 | 174.4 | -170.1 | 0 | 0 | 0 | 0 | 106.1 | S37 P39 V86 L88 S91 L108 | S37-V110 WeakPolarHBondContact O-CA 3.49Å; P39-V110 HydrophobicContact CG-CG1 4.06Å; V86-V110 HydrophobicContact CB-CG2 4.45Å; V86-V110 HydrophobicContact CG1-CB 4.42Å; V86-V110 HydrophobicContact CG1-CG1 4.29Å; V86-V110 HydrophobicContact CG1-CG2 3.33Å; L88-V110 WeakPolarHBondContact CD2-O 3.17Å; S91-V110 WeakPolarHBondContact OG-CB 3.46Å; S91-V110 PolarHBondContact OG-N 2.9Å; S91-V110 PolarHBondContact OG-O 2.9Å; L108-V110 HydrophobicContact CD2-CG2 4.18Å; L108-V110 HydrophobicContact CG-CG2 4.07Å |
| 111 | D | 90.4 | Very high | 92 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -138.9 | 160.1 | -170.4 | -159.1 | -2.6 | 0 | 0 | 0 | 110.9 | S37 P39 L109 S141 T143 S197 V198 | S37-D111 PolarHBondContact O-N 3.25Å; P39-D111 WeakPolarHBondContact CD-O 3.34Å; L109-D111 HydrophobicContact CG-CB 4.36Å; D111-S141 VanDerWaalsContact OD1-CB 3.26Å; D111-S141 WeakPolarHBondContact OD1-CB 2.95Å; D111-S141 PolarHBondContact OD1-OG 3.03Å; D111-T143 PolarHBondContact OD2-OG1 3.09Å; D111-S197 WeakPolarHBondContact CB-OG 3.47Å; D111-S197 VanDerWaalsContact CG-OG 3.29Å; D111-S197 WeakPolarHBondContact OD2-CB 3.36Å; D111-S197 PolarHBondContact OD2-N 2.92Å; D111-S197 PolarHBondContact OD2-OG 3.24Å; D111-V198 HydrophobicContact CB-CG1 4.03Å; D111-V198 HydrophobicContact CB-CG2 3.99Å | ||
| 112 | V | 89.8 | Confident | 92.3 | Very high | 65 Ų | 65 | 41.6 Ų | 41.6 | 39% | 0.394 | 24% | 0.239 | S | C | . | . | trans | -111.8 | 132.2 | -174.8 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | P39 L88 S196 | P39-V112 HydrophobicContact CG-CG2 3.78Å; L88-V112 HydrophobicContact CD1-CG2 4.27Å; L88-V112 HydrophobicContact CD2-CG2 3.98Å; L88-V112 HydrophobicContact CG-CG2 4.41Å; V112-S196 PolarHBondContact O-OG 2.92Å | ||
| 113 | P | 90.6 | Very high | 92.6 | Very high | 62 Ų | 62 | 37.2 Ų | 37.2 | 40% | 0.403 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -58 | 135.6 | 173.4 | -24.1 | 34.5 | 0 | 0 | 0 | 110.5 | L38 V198 | L38-P113 HydrophobicContact CD2-CG 3.65Å; P113-V198 HydrophobicContact CG-CG2 4.03Å |
| 114 | P | 92.4 | Very high | 92.9 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -67 | 148.5 | -173.6 | 26 | -32.4 | 0 | 0 | 0 | 111.3 | V194 S196 G199 K201 | P114-V194 HydrophobicContact CB-CB 4.27Å; P114-V194 HydrophobicContact CB-CG1 3.74Å; P114-V194 WeakPolarHBondContact CG-O 3.32Å; P114-S196 WeakPolarHBondContact CD-OG 3.37Å; P114-G199 VanDerWaalsContact CD-O 3.31Å; P114-G199 WeakPolarHBondContact CD-O 3.26Å; P114-G199 WeakPolarHBondContact CG-O 3.37Å; P114-K201 HydrophobicContact CG-CB 4.34Å; P114-K201 HydrophobicContact CG-CG 4.25Å; P114-K201 VanDerWaalsContact O-CG 3.26Å; P114-K201 WeakPolarHBondContact O-CG 3.31Å |
| 115 | E | 93.6 | Very high | 93.1 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 21% | 0.206 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 152.7 | 169.9 | -64.9 | -177.8 | -159 | 0 | 0 | 110.8 | P117 W134 R137 S138 | E115-P117 VanDerWaalsContact O-CD 3.23Å; E115-P117 WeakPolarHBondContact O-CD 3.44Å; E115-W134 HydrophobicContact CB-CH2 4.12Å; E115-W134 HydrophobicContact CB-CZ2 3.9Å; E115-R137 WeakPolarHBondContact OE2-CB 2.95Å; E115-R137 IonicContact OE2-CZ 2.68Å; E115-R137 PolarHBondContact OE2-N 2.91Å; E115-R137 VanDerWaalsContact OE2-N 3.1Å; E115-R137 IonicContact OE2-NE 3.86Å; E115-R137 PolarHBondContact OE2-NE 3.4Å; E115-R137 IonicContact OE2-NH1 2.75Å; E115-R137 IonicContact OE2-NH2 3.59Å; E115-R137 PolarHBondContact OE2-NH2 2.94Å; E115-R137 VanDerWaalsContact OE2-NH2 3.11Å; E115-S138 PolarHBondContact OE1-N 3.23Å |
| 116 | E | 94.8 | Very high | 93.2 | Very high | 90 Ų | 90 | 34.7 Ų | 34.7 | 42% | 0.421 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -70.2 | 116.3 | 173.7 | -169.4 | 175 | 140.6 | 0 | 0 | 110.7 | Q118 | E116-Q118 PolarHBondContact O-NE2 2.95Š|
| 117 | P | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 137.8 | -172.5 | -17.6 | 31.1 | 0 | 0 | 0 | 113 | E115 W134 M192 V194 S203 | E115-P117 VanDerWaalsContact O-CD 3.23Å; E115-P117 WeakPolarHBondContact O-CD 3.44Å; P117-W134 VanDerWaalsContact CA-CE2 3.48Å; P117-W134 HydrophobicContact CB-CD2 3.57Å; P117-W134 HydrophobicContact CB-CE3 3.72Å; P117-W134 HydrophobicContact CB-CG 3.95Å; P117-W134 HydrophobicContact CB-CH2 4.37Å; P117-W134 HydrophobicContact CB-CZ2 4.28Å; P117-W134 HydrophobicContact CB-CZ3 4.15Å; P117-W134 HydrophobicContact CG-CD2 4.41Å; P117-W134 HydrophobicContact CG-CE3 4.16Å; P117-W134 HydrophobicContact CG-CH2 4.27Å; P117-W134 HydrophobicContact CG-CZ3 4.12Å; P117-M192 HydrophobicContact CB-CB 4.46Å; P117-M192 HydrophobicContact CB-CG 4.45Å; P117-M192 HydrophobicContact CB-SD 4.2Å; P117-V194 HydrophobicContact CB-CG2 4.26Å; P117-V194 HydrophobicContact CG-CB 4Å; P117-V194 HydrophobicContact CG-CG2 3.4Å; P117-S203 WeakPolarHBondContact O-CA 3.41Å; P117-S203 WeakPolarHBondContact O-CB 3.08Å |
| 118 | Q | 96.2 | Very high | 93.2 | Very high | 109 Ų | 109 | 35.9 Ų | 35.9 | 51% | 0.509 | 19% | 0.192 | S | C | . | . | trans | -102.2 | 91.4 | 170.9 | -59.4 | -53.5 | -57.1 | 0 | 0 | 108.8 | E116 W134 | E116-Q118 PolarHBondContact O-NE2 2.95Å; Q118-W134 VanDerWaalsContact O-CD1 3.24Å | ||
| 119 | L | 96.8 | Very high | 93.4 | Very high | 28 Ų | 28 | 38.6 Ų | 38.6 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | trans | -74.2 | 134.6 | -174.1 | -173.1 | 61.6 | 0 | 0 | 0 | 111.7 | C132 L148 V190 M192 | L119-C132 HydrophobicContact CD1-CB 3.95Å; L119-L148 HydrophobicContact CD1-CD1 4.22Å; L119-L148 HydrophobicContact CD2-CD1 4.07Å; L119-V190 HydrophobicContact CD2-CG2 3.95Å; L119-M192 HydrophobicContact CD1-CB 3.82Å; L119-M192 HydrophobicContact CD1-CE 3.72Å; L119-M192 HydrophobicContact CD1-SD 4.41Å; L119-M192 HydrophobicContact CD2-CB 4.34Å; L119-M192 HydrophobicContact CG-CB 4.5Å | ||
| 120 | S | 96.4 | Very high | 93.7 | Very high | 58 Ų | 58 | 36.8 Ų | 36.8 | 41% | 0.406 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 115.9 | 168.5 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | C132 E133 | S120-C132 WeakPolarHBondContact O-CA 3.16Å; S120-E133 PolarHBondContact N-O 2.83Å; S120-E133 PolarHBondContact O-N 3.45Å |
| 121 | C | 96.5 | Very high | 94 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 5% | 0.054 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 138.3 | 174 | -59 | 0 | 0 | 0 | 0 | 111.6 | V130 V131 C132 F208 I213 | C121-V130 HydrophobicContact CB-CG1 4.24Å; C121-V131 CarbonylContact C-O 3.58Å; C121-V131 VanDerWaalsContact CA-O 3.25Å; C121-V131 WeakPolarHBondContact CA-O 3.41Å; C121-C132 HydrophobicContact CB-CB 4.15Å; C121-C132 WeakPolarHBondContact CB-SG 3.48Å; C121-C132 WeakPolarHBondContact SG-CB 3.18Å; C121-C132 CovalentContact SG-SG 2.04Å; C121-C132 PolarHBondContact SG-SG 2.86Å; C121-F208 HydrophobicContact CB-CE1 4.31Å; C121-I213 HydrophobicContact CB-CD1 3.81Å |
| 122 | F | 94.3 | Very high | 94.4 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 18% | 0.18 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 161 | 177.4 | 54.1 | -97 | 0 | 0 | 0 | 111.4 | K124 V131 E133 | F122-K124 HydrophobicContact CD2-CD 3.98Å; F122-K124 VanDerWaalsContact CD2-CE 3.42Å; F122-K124 HydrophobicContact CD2-CG 4.18Å; F122-K124 HydrophobicContact CE2-CD 4.38Å; F122-K124 HydrophobicContact CE2-CG 4.36Å; F122-V131 HydrophobicContact CD2-CB 4.48Å; F122-V131 HydrophobicContact CE2-CB 4.05Å; F122-V131 HydrophobicContact CE2-CG1 4.38Å; F122-V131 HydrophobicContact CZ-CB 4.33Å; F122-V131 HydrophobicContact CZ-CG1 4.2Å; F122-V131 PolarHBondContact N-O 3.37Å; F122-V131 PolarHBondContact O-N 3.14Å; F122-E133 HydrophobicContact CE1-CG 3.76Å; F122-E133 HydrophobicContact CZ-CG 4.24Å |
| 123 | R | 95.5 | Very high | 94.7 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 5% | 0.053 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -133.3 | 124.9 | 175 | -175.9 | -177.5 | -172.4 | 156.5 | 11.1 | 109.5 | S125 P126 S128 V130 V180 G210 I213 L214 Q215 | R123-S125 WeakPolarHBondContact CG-O 3.38Å; R123-S125 PolarHBondContact NE-O 3.27Å; R123-P126 VanDerWaalsContact CZ-O 3.28Å; R123-P126 PolarHBondContact NH2-O 2.57Å; R123-S128 PolarHBondContact NE-O 2.94Å; R123-S128 PolarHBondContact NH2-O 2.81Å; R123-V130 HydrophobicContact CB-CG2 4.22Å; R123-V130 HydrophobicContact CG-CG2 4.49Å; R123-V180 PolarHBondContact NH1-O 3.18Å; R123-V180 PolarHBondContact NH2-O 3Å; R123-G210 PolarHBondContact NH1-O 2.89Å; R123-I213 HydrophobicContact CB-CG2 4.05Å; R123-I213 PolarHBondContact N-O 2.97Å; R123-L214 HydrophobicContact CG-CD1 4.3Å; R123-Q215 CarbonylContact O-C 3.57Å; R123-Q215 PolarHBondContact O-N 3.3Å |
| 124 | K | 95 | Very high | 95 | Very high | 50 Ų | 50 | 34.7 Ų | 34.7 | 22% | 0.217 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -89.1 | -33 | -171 | -61.1 | -56.1 | -169.8 | 174.5 | 0 | 114 | F122 S128 Q215 D217 | F122-K124 HydrophobicContact CD2-CD 3.98Å; F122-K124 VanDerWaalsContact CD2-CE 3.42Å; F122-K124 HydrophobicContact CD2-CG 4.18Å; F122-K124 HydrophobicContact CE2-CD 4.38Å; F122-K124 HydrophobicContact CE2-CG 4.36Å; K124-S128 PolarHBondContact N-OG 2.68Å; K124-Q215 WeakPolarHBondContact CD-O 3.39Å; K124-D217 WeakPolarHBondContact CE-OD1 3.15Å; K124-D217 IonicContact NZ-OD1 2.64Å; K124-D217 PolarHBondContact NZ-OD1 2.85Å |
| 125 | S | 93.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -136.8 | 156.3 | 175.1 | 76 | 0 | 0 | 0 | 0 | 111.5 | R123 L127 S128 L214 N245 | R123-S125 WeakPolarHBondContact CG-O 3.38Å; R123-S125 PolarHBondContact NE-O 3.27Å; S125-L127 PolarHBondContact O-N 3.48Å; S125-L127 VanDerWaalsContact O-N 3.13Å; S125-S128 PolarHBondContact N-OG 2.75Å; S125-S128 PolarHBondContact O-N 3.1Å; S125-S128 VanDerWaalsContact O-N 3.08Å; S125-S128 PolarHBondContact O-OG 2.8Å; S125-S128 VanDerWaalsContact OG-CB 3.31Å; S125-S128 WeakPolarHBondContact OG-CB 3.47Å; S125-S128 PolarHBondContact OG-N 2.69Å; S125-S128 PolarHBondContact OG-OG 3.37Å; S125-L214 VanDerWaalsContact C-CD1 3.48Å; S125-N245 PolarHBondContact OG-OD1 2.73Å |
| 126 | P | 91.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 5% | 0.045 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.7 | 179.7 | -26.8 | 36 | 0 | 0 | 0 | 113.9 | R123 L214 W244 Y249 | R123-P126 VanDerWaalsContact CZ-O 3.28Å; R123-P126 PolarHBondContact NH2-O 2.57Å; P126-L214 HydrophobicContact CG-CD1 4.28Å; P126-L214 HydrophobicContact CG-CD2 3.9Å; P126-W244 VanDerWaalsContact CD-CH2 3.41Å; P126-W244 HydrophobicContact CG-CH2 3.78Å; P126-W244 HydrophobicContact CG-CZ2 4.27Å; P126-W244 HydrophobicContact CG-CZ3 4.34Å; P126-Y249 HydrophobicContact CB-CD1 4.24Å; P126-Y249 HydrophobicContact CB-CD2 3.78Å; P126-Y249 HydrophobicContact CB-CE1 4.14Å; P126-Y249 HydrophobicContact CB-CE2 3.67Å; P126-Y249 HydrophobicContact CB-CG 4.07Å; P126-Y249 HydrophobicContact CG-CD1 3.94Å; P126-Y249 HydrophobicContact CG-CD2 3.83Å; P126-Y249 HydrophobicContact CG-CE1 4.31Å; P126-Y249 HydrophobicContact CG-CE2 4.22Å; P126-Y249 HydrophobicContact CG-CG 3.68Å |
| 127 | L | 90.1 | Very high | 95.2 | Very high | 87 Ų | 87 | 39.4 Ų | 39.4 | 46% | 0.455 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -15.3 | 178.1 | -69.9 | 173.2 | 0 | 0 | 0 | 113.6 | S125 E182 S246 Y249 | S125-L127 PolarHBondContact O-N 3.48Å; S125-L127 VanDerWaalsContact O-N 3.13Å; L127-E182 VanDerWaalsContact CD2-CD 3.5Å; L127-E182 HydrophobicContact CD2-CG 4.22Å; L127-E182 WeakPolarHBondContact CD2-OE1 3.37Å; L127-S246 WeakPolarHBondContact CD1-OG 3.05Å; L127-Y249 HydrophobicContact CG-CE2 4.49Å |
| 128 | S | 93.2 | Very high | 95 | Very high | 29 Ų | 29 | 43 Ų | 43 | 20% | 0.203 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -74.4 | 151.2 | 176.5 | 66.5 | 0 | 0 | 0 | 0 | 112.1 | R123 K124 S125 | R123-S128 PolarHBondContact NE-O 2.94Å; R123-S128 PolarHBondContact NH2-O 2.81Å; K124-S128 PolarHBondContact N-OG 2.68Å; S125-S128 PolarHBondContact N-OG 2.75Å; S125-S128 PolarHBondContact O-N 3.1Å; S125-S128 VanDerWaalsContact O-N 3.08Å; S125-S128 PolarHBondContact O-OG 2.8Å; S125-S128 VanDerWaalsContact OG-CB 3.31Å; S125-S128 WeakPolarHBondContact OG-CB 3.47Å; S125-S128 PolarHBondContact OG-N 2.69Å; S125-S128 PolarHBondContact OG-OG 3.37Å |
| 129 | N | 95.3 | Very high | 94.7 | Very high | 63 Ų | 63 | 42.1 Ų | 42.1 | 34% | 0.337 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -64.7 | 154.4 | 169.9 | -69.5 | -28.1 | 0 | 0 | 0 | 110.8 | V131 Q177 | N129-V131 PolarHBondContact O-N 2.95Å; N129-Q177 HydrophobicContact CB-CB 4.22Å; N129-Q177 PolarHBondContact ND2-OE1 3.36Å |
| 130 | V | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 125.6 | 166.1 | 178 | 0 | 0 | 0 | 0 | 107.5 | C121 R123 Q177 L178 V180 F208 I213 | C121-V130 HydrophobicContact CB-CG1 4.24Å; R123-V130 HydrophobicContact CB-CG2 4.22Å; R123-V130 HydrophobicContact CG-CG2 4.49Å; V130-Q177 WeakPolarHBondContact O-CA 3.41Å; V130-L178 HydrophobicContact CB-CB 4.24Å; V130-L178 PolarHBondContact N-O 3.11Å; V130-L178 PolarHBondContact O-N 3.39Å; V130-V180 HydrophobicContact CB-CG2 4.49Å; V130-V180 HydrophobicContact CG2-CB 4.22Å; V130-V180 HydrophobicContact CG2-CG2 3.65Å; V130-F208 HydrophobicContact CG1-CE2 4.45Å; V130-F208 HydrophobicContact CG1-CZ 4Å; V130-F208 HydrophobicContact CG2-CE2 4.32Å; V130-I213 HydrophobicContact CG1-CD1 3.87Å; V130-I213 HydrophobicContact CG2-CG2 3.87Å |
| 131 | V | 96.9 | Very high | 93.9 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 21% | 0.212 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.4 | 175.6 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | C121 F122 N129 | C121-V131 CarbonylContact C-O 3.58Å; C121-V131 VanDerWaalsContact CA-O 3.25Å; C121-V131 WeakPolarHBondContact CA-O 3.41Å; F122-V131 HydrophobicContact CD2-CB 4.48Å; F122-V131 HydrophobicContact CE2-CB 4.05Å; F122-V131 HydrophobicContact CE2-CG1 4.38Å; F122-V131 HydrophobicContact CZ-CB 4.33Å; F122-V131 HydrophobicContact CZ-CG1 4.2Å; F122-V131 PolarHBondContact N-O 3.37Å; F122-V131 PolarHBondContact O-N 3.14Å; N129-V131 PolarHBondContact O-N 2.95Å |
| 132 | C | 97.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.2 | 174.2 | -71.5 | 0 | 0 | 0 | 0 | 108.9 | L119 S120 C121 L148 C176 | L119-C132 HydrophobicContact CD1-CB 3.95Å; S120-C132 WeakPolarHBondContact O-CA 3.16Å; C121-C132 HydrophobicContact CB-CB 4.15Å; C121-C132 WeakPolarHBondContact CB-SG 3.48Å; C121-C132 WeakPolarHBondContact SG-CB 3.18Å; C121-C132 CovalentContact SG-SG 2.04Å; C121-C132 PolarHBondContact SG-SG 2.86Å; C132-L148 HydrophobicContact CB-CD1 3.87Å; C132-L148 HydrophobicContact CB-CD2 3.9Å; C132-C176 PolarHBondContact N-O 3.3Å; C132-C176 PolarHBondContact O-N 2.89Å |
| 133 | E | 97.4 | Very high | 92.9 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 157.2 | -174.5 | 62.2 | 169.2 | -137 | 0 | 0 | 113.9 | S120 F122 K173 F174 | S120-E133 PolarHBondContact N-O 2.83Å; S120-E133 PolarHBondContact O-N 3.45Å; F122-E133 HydrophobicContact CE1-CG 3.76Å; F122-E133 HydrophobicContact CZ-CG 4.24Å; E133-K173 IonicContact OE1-NZ 3.51Å; E133-K173 PolarHBondContact OE1-NZ 2.98Å; E133-K173 IonicContact OE2-NZ 3.63Å; E133-F174 CarbonylContact C-O 3.57Å; E133-F174 WeakPolarHBondContact CA-O 3.34Å; E133-F174 WeakPolarHBondContact CB-O 3.49Å |
| 134 | W | 97.4 | Very high | 92.7 | Very high | 12 Ų | 12 | 49 Ų | 49 | 5% | 0.045 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 132.6 | 172.3 | 165 | 56.4 | 0 | 0 | 0 | 110.7 | E115 P117 Q118 P136 K173 F174 M192 V194 | E115-W134 HydrophobicContact CB-CH2 4.12Å; E115-W134 HydrophobicContact CB-CZ2 3.9Å; P117-W134 VanDerWaalsContact CA-CE2 3.48Å; P117-W134 HydrophobicContact CB-CD2 3.57Å; P117-W134 HydrophobicContact CB-CE3 3.72Å; P117-W134 HydrophobicContact CB-CG 3.95Å; P117-W134 HydrophobicContact CB-CH2 4.37Å; P117-W134 HydrophobicContact CB-CZ2 4.28Å; P117-W134 HydrophobicContact CB-CZ3 4.15Å; P117-W134 HydrophobicContact CG-CD2 4.41Å; P117-W134 HydrophobicContact CG-CE3 4.16Å; P117-W134 HydrophobicContact CG-CH2 4.27Å; P117-W134 HydrophobicContact CG-CZ3 4.12Å; Q118-W134 VanDerWaalsContact O-CD1 3.24Å; W134-P136 HydrophobicContact CH2-CB 3.72Å; W134-P136 HydrophobicContact CZ2-CB 3.67Å; W134-P136 HydrophobicContact CZ3-CB 4.27Å; W134-K173 CarbonylContact O-C 3.56Å; W134-K173 WeakPolarHBondContact O-CA 3.45Å; W134-F174 AromaticContact CE3-CD2 3.7Å; W134-F174 HydrophobicContact CE3-CD2 3.7Å; W134-F174 HydrophobicContact CE3-CE2 4.41Å; W134-F174 AromaticContact CZ3-CD2 3.71Å; W134-F174 HydrophobicContact CZ3-CD2 3.71Å; W134-F174 AromaticContact CZ3-CE2 3.95Å; W134-F174 HydrophobicContact CZ3-CE2 3.95Å; W134-F174 PolarHBondContact N-O 3.08Å; W134-F174 PolarHBondContact O-N 2.68Å; W134-M192 HydrophobicContact CB-CE 4.19Å; W134-M192 HydrophobicContact CB-SD 3.74Å; W134-M192 HydrophobicContact CD2-SD 4.45Å; W134-M192 HydrophobicContact CE3-SD 3.92Å; W134-M192 HydrophobicContact CG-SD 4.43Å; W134-V194 HydrophobicContact CE3-CG2 3.98Å; W134-V194 HydrophobicContact CH2-CG2 4.47Å; W134-V194 HydrophobicContact CZ3-CB 4.31Å; W134-V194 HydrophobicContact CZ3-CG1 4.11Å; W134-V194 HydrophobicContact CZ3-CG2 3.59Å |
| 135 | G | 96.4 | Very high | 92.5 | Very high | 35 Ų | 35 | 52.8 Ų | 52.8 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | trans | -98.5 | 113.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 136 | P | 95.1 | Very high | 92.6 | Very high | 18 Ų | 18 | 53.1 Ų | 53.1 | 12% | 0.117 | 29% | 0.289 | C | S | . | . | trans | -64.5 | 152.9 | 169.7 | 28.1 | -34.7 | 0 | 0 | 0 | 110.9 | W134 S138 P140 Y167 Q172 F174 | W134-P136 HydrophobicContact CH2-CB 3.72Å; W134-P136 HydrophobicContact CZ2-CB 3.67Å; W134-P136 HydrophobicContact CZ3-CB 4.27Å; P136-S138 VanDerWaalsContact C-N 3.28Å; P136-S138 WeakPolarHBondContact CB-O 3.41Å; P136-S138 PolarHBondContact O-N 2.86Å; P136-P140 HydrophobicContact CG-CG 4.37Å; P136-Y167 HydrophobicContact CG-CE2 4.07Å; P136-Q172 WeakPolarHBondContact CD-O 3.2Å; P136-F174 HydrophobicContact CG-CE2 4.44Å | ||
| 137 | R | 93.3 | Very high | 92.8 | Very high | 193 Ų | 193 | 53.9 Ų | 53.9 | 73% | 0.728 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -71.5 | -28.1 | 178.7 | -68.7 | -179.5 | -67.5 | -81.9 | -5.6 | 112.4 | E115 | E115-R137 WeakPolarHBondContact OE2-CB 2.95Å; E115-R137 IonicContact OE2-CZ 2.68Å; E115-R137 PolarHBondContact OE2-N 2.91Å; E115-R137 VanDerWaalsContact OE2-N 3.1Å; E115-R137 IonicContact OE2-NE 3.86Å; E115-R137 PolarHBondContact OE2-NE 3.4Å; E115-R137 IonicContact OE2-NH1 2.75Å; E115-R137 IonicContact OE2-NH2 3.59Å; E115-R137 PolarHBondContact OE2-NH2 2.94Å; E115-R137 VanDerWaalsContact OE2-NH2 3.11Å |
| 138 | S | 89.6 | Confident | 93.2 | Very high | 76 Ų | 76 | 49.7 Ų | 49.7 | 53% | 0.531 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -122.8 | 148.7 | 176 | -46.5 | 0 | 0 | 0 | 0 | 110.1 | E115 P136 | E115-S138 PolarHBondContact OE1-N 3.23Å; P136-S138 VanDerWaalsContact C-N 3.28Å; P136-S138 WeakPolarHBondContact CB-O 3.41Å; P136-S138 PolarHBondContact O-N 2.86Å |
| 139 | T | 90.3 | Very high | 93.3 | Very high | 90 Ų | 90 | 48.8 Ų | 48.8 | 55% | 0.552 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 122.2 | 175 | -51.9 | 0 | 0 | 0 | 0 | 109.5 | Q172 | T139-Q172 PolarHBondContact OG1-OE1 2.96Š|
| 140 | P | 90.4 | Very high | 93.3 | Very high | 29 Ų | 29 | 46 Ų | 46 | 19% | 0.188 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 160.6 | -175.9 | 30.7 | -36.4 | 0 | 0 | 0 | 111.3 | P136 T144 Y167 F174 | P136-P140 HydrophobicContact CG-CG 4.37Å; P140-T144 HydrophobicContact CB-CG2 4.02Å; P140-Y167 VanDerWaalsContact CD-CZ 3.42Å; P140-Y167 WeakPolarHBondContact CD-OH 3.38Å; P140-Y167 HydrophobicContact CG-CD1 4.42Å; P140-Y167 HydrophobicContact CG-CD2 4Å; P140-Y167 HydrophobicContact CG-CE1 4.15Å; P140-Y167 HydrophobicContact CG-CE2 3.72Å; P140-Y167 HydrophobicContact CG-CG 4.34Å; P140-F174 HydrophobicContact CB-CE2 4.21Å; P140-F174 HydrophobicContact CB-CZ 4.24Å; P140-F174 HydrophobicContact CG-CE2 3.79Å; P140-F174 HydrophobicContact CG-CZ 3.82Å |
| 141 | S | 85.9 | Confident | 93.2 | Very high | 32 Ų | 32 | 48 Ų | 48 | 22% | 0.224 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 155.9 | 172.5 | 80.3 | 0 | 0 | 0 | 0 | 110.9 | D111 T143 T144 | D111-S141 VanDerWaalsContact OD1-CB 3.26Å; D111-S141 WeakPolarHBondContact OD1-CB 2.95Å; D111-S141 PolarHBondContact OD1-OG 3.03Å; S141-T143 PolarHBondContact O-N 2.78Å; S141-T143 PolarHBondContact OG-N 2.84Å; S141-T143 PolarHBondContact OG-OG1 2.8Å; S141-T144 PolarHBondContact N-OG1 3.45Å; S141-T144 VanDerWaalsContact O-CB 3.31Å; S141-T144 WeakPolarHBondContact O-CB 3.32Å; S141-T144 PolarHBondContact O-N 3.18Å; S141-T144 PolarHBondContact O-OG1 3.5Å; S141-T144 PolarHBondContact OG-N 3.02Å; S141-T144 VanDerWaalsContact OG-N 3.12Å; S141-T144 PolarHBondContact OG-OG1 2.96Å |
| 142 | L | 83.6 | Confident | 93.1 | Very high | 175 Ų | 175 | 48 Ų | 48 | 92% | 0.916 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.5 | 174.6 | -63.8 | 174.6 | 0 | 0 | 0 | 112.9 | T144 | L142-T144 VanDerWaalsContact C-N 3.34Š|
| 143 | T | 86.4 | Confident | 92.8 | Very high | 42 Ų | 42 | 51.4 Ų | 51.4 | 26% | 0.258 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -3.7 | 176.2 | 41.2 | 0 | 0 | 0 | 0 | 112.6 | Q28 L109 D111 S141 | Q28-T143 PolarHBondContact NE2-O 2.95Å; L109-T143 HydrophobicContact CD1-CG2 4.3Å; L109-T143 HydrophobicContact CD2-CG2 4.11Å; D111-T143 PolarHBondContact OD2-OG1 3.09Å; S141-T143 PolarHBondContact O-N 2.78Å; S141-T143 PolarHBondContact OG-N 2.84Å; S141-T143 PolarHBondContact OG-OG1 2.8Å |
| 144 | T | 90.9 | Very high | 92.2 | Very high | 17 Ų | 17 | 54.6 Ų | 54.6 | 10% | 0.104 | 28% | 0.284 | C | S | . | . | trans | -80.7 | 122.1 | 176.1 | -56.3 | 0 | 0 | 0 | 0 | 110.3 | P140 S141 L142 F174 V194 A195 | P140-T144 HydrophobicContact CB-CG2 4.02Å; S141-T144 PolarHBondContact N-OG1 3.45Å; S141-T144 VanDerWaalsContact O-CB 3.31Å; S141-T144 WeakPolarHBondContact O-CB 3.32Å; S141-T144 PolarHBondContact O-N 3.18Å; S141-T144 PolarHBondContact O-OG1 3.5Å; S141-T144 PolarHBondContact OG-N 3.02Å; S141-T144 VanDerWaalsContact OG-N 3.12Å; S141-T144 PolarHBondContact OG-OG1 2.96Å; L142-T144 VanDerWaalsContact C-N 3.34Å; T144-F174 HydrophobicContact CG2-CZ 4.03Å; T144-V194 HydrophobicContact CG2-CG1 3.41Å; T144-V194 VanDerWaalsContact CG2-CG1 3.41Å; T144-A195 CarbonylContact C-O 3.57Å; T144-A195 VanDerWaalsContact CA-O 3.32Å; T144-A195 WeakPolarHBondContact CA-O 3.32Å | ||
| 145 | K | 92.3 | Very high | 91.2 | Very high | 129 Ų | 129 | 62.2 Ų | 62.2 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 152.1 | 174.6 | -67.6 | -174.7 | -175.8 | 175.1 | 0 | 110.6 | V194 A195 | K145-V194 WeakPolarHBondContact O-CA 3.47Å; K145-A195 PolarHBondContact N-O 2.85Å; K145-A195 PolarHBondContact O-N 3.48Å |
| 146 | A | 94.4 | Very high | 90.2 | Very high | 6 Ų | 6 | 63.5 Ų | 63.5 | 5% | 0.05 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 144.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | C165 F174 C193 V194 | A146-C165 HydrophobicContact CB-CB 3.77Å; A146-C165 WeakPolarHBondContact O-CB 3.34Å; A146-C165 PolarHBondContact O-N 2.81Å; A146-F174 HydrophobicContact CB-CB 4.24Å; A146-F174 HydrophobicContact CB-CD1 3.44Å; A146-F174 VanDerWaalsContact CB-CD1 3.44Å; A146-F174 HydrophobicContact CB-CD2 4.49Å; A146-F174 HydrophobicContact CB-CE1 3.81Å; A146-F174 HydrophobicContact CB-CG 3.81Å; A146-F174 HydrophobicContact CB-CZ 4.49Å; A146-C193 CarbonylContact C-O 3.5Å; A146-C193 WeakPolarHBondContact CA-O 3.36Å; A146-V194 HydrophobicContact CB-CG2 3.88Å |
| 147 | V | 96.2 | Very high | 89.6 | Confident | 23 Ų | 23 | 68.3 Ų | 68.3 | 14% | 0.139 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 146.7 | 172.4 | -61.3 | 0 | 0 | 0 | 0 | 109.7 | P26 L149 C165 C193 | P26-V147 HydrophobicContact CG-CG1 4.12Å; P26-V147 HydrophobicContact CG-CG2 3.76Å; V147-L149 HydrophobicContact CG2-CD2 3.97Å; V147-C165 VanDerWaalsContact CA-SG 3.56Å; V147-C193 HydrophobicContact CG2-CB 3.79Å; V147-C193 PolarHBondContact N-O 2.98Å; V147-C193 PolarHBondContact O-N 2.86Å |
| 148 | L | 97.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 117.1 | 173.1 | -167.5 | 72 | 0 | 0 | 0 | 108.3 | L119 C132 V150 Q162 E163 C165 C176 L178 V190 M192 | L119-L148 HydrophobicContact CD1-CD1 4.22Å; L119-L148 HydrophobicContact CD2-CD1 4.07Å; C132-L148 HydrophobicContact CB-CD1 3.87Å; C132-L148 HydrophobicContact CB-CD2 3.9Å; L148-V150 HydrophobicContact CD2-CG2 4Å; L148-V150 HydrophobicContact CG-CG2 4.06Å; L148-Q162 CarbonylContact O-C 3.59Å; L148-Q162 VanDerWaalsContact O-CA 3.27Å; L148-Q162 WeakPolarHBondContact O-CA 3.48Å; L148-E163 HydrophobicContact CB-CB 4.22Å; L148-E163 PolarHBondContact N-O 3.26Å; L148-E163 PolarHBondContact O-N 3.07Å; L148-C165 PolarHBondContact N-SG 2.92Å; L148-C165 VanDerWaalsContact N-SG 3.35Å; L148-C176 HydrophobicContact CB-CB 3.98Å; L148-C176 HydrophobicContact CD2-CB 4.37Å; L148-L178 HydrophobicContact CD2-CB 4.44Å; L148-V190 HydrophobicContact CD1-CB 4.17Å; L148-V190 HydrophobicContact CD2-CG1 4.41Å; L148-V190 HydrophobicContact CG-CB 4.36Å; L148-M192 HydrophobicContact CD1-CB 4.43Å |
| 149 | L | 96.3 | Very high | 89.3 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 122.7 | 173.9 | -53 | 177.3 | 0 | 0 | 0 | 107.7 | P22 R23 V147 Q162 V190 S191 C193 F202 | P22-L149 HydrophobicContact CB-CB 4.09Å; P22-L149 HydrophobicContact CB-CD1 3.89Å; P22-L149 HydrophobicContact CG-CD1 4.31Å; R23-L149 WeakPolarHBondContact O-CD1 3.36Å; V147-L149 HydrophobicContact CG2-CD2 3.97Å; L149-Q162 HydrophobicContact CD2-CG 3.8Å; L149-V190 VanDerWaalsContact O-CA 3.28Å; L149-V190 WeakPolarHBondContact O-CA 3.47Å; L149-S191 WeakPolarHBondContact CB-O 3.49Å; L149-S191 PolarHBondContact N-O 3Å; L149-S191 PolarHBondContact O-N 2.92Å; L149-C193 HydrophobicContact CD1-CB 3.95Å; L149-C193 HydrophobicContact CD2-CB 4.5Å; L149-C193 HydrophobicContact CG-CB 4.11Å; L149-F202 HydrophobicContact CD1-CD1 3.85Å; L149-F202 HydrophobicContact CD1-CE1 3.66Å |
| 150 | V | 95.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.8 | -174.5 | -173.5 | 0 | 0 | 0 | 0 | 109.1 | L148 D160 F161 L178 Y188 V190 | L148-V150 HydrophobicContact CD2-CG2 4Å; L148-V150 HydrophobicContact CG-CG2 4.06Å; V150-D160 WeakPolarHBondContact O-CA 3.46Å; V150-F161 HydrophobicContact CB-CD1 4.35Å; V150-F161 HydrophobicContact CB-CD2 4.14Å; V150-F161 HydrophobicContact CB-CE1 4.1Å; V150-F161 HydrophobicContact CB-CE2 3.87Å; V150-F161 HydrophobicContact CB-CG 4.37Å; V150-F161 HydrophobicContact CB-CZ 3.86Å; V150-F161 HydrophobicContact CG1-CD1 4.4Å; V150-F161 HydrophobicContact CG1-CE1 3.7Å; V150-F161 HydrophobicContact CG1-CE2 3.95Å; V150-F161 HydrophobicContact CG1-CZ 3.45Å; V150-F161 VanDerWaalsContact CG1-CZ 3.45Å; V150-F161 HydrophobicContact CG2-CD2 4.47Å; V150-F161 HydrophobicContact CG2-CE2 4.1Å; V150-F161 HydrophobicContact CG2-CZ 4.44Å; V150-F161 PolarHBondContact N-O 3.35Å; V150-F161 PolarHBondContact O-N 3.43Å; V150-L178 HydrophobicContact CG1-CD1 4.28Å; V150-L178 HydrophobicContact CG1-CD2 4.23Å; V150-L178 HydrophobicContact CG2-CD1 4.24Å; V150-L178 HydrophobicContact CG2-CD2 4.46Å; V150-Y188 HydrophobicContact CG1-CD1 3.84Å; V150-Y188 HydrophobicContact CG1-CE1 4.47Å; V150-V190 HydrophobicContact CB-CG1 4.49Å; V150-V190 HydrophobicContact CG1-CG1 4.17Å; V150-V190 HydrophobicContact CG2-CG1 4.13Å |
| 151 | R | 94.1 | Very high | 89.5 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 115.5 | 167.9 | 178.7 | 172 | -68.5 | 159.5 | 3 | 109 | F153 A158 E159 D160 I189 | R151-F153 HydrophobicContact CB-CE2 4.3Å; R151-F153 HydrophobicContact CG-CD2 4.17Å; R151-F153 HydrophobicContact CG-CE2 3.45Å; R151-F153 VanDerWaalsContact CG-CE2 3.45Å; R151-F153 HydrophobicContact CG-CZ 3.69Å; R151-A158 HydrophobicContact CG-CB 4.19Å; R151-E159 WeakPolarHBondContact CA-O 3.36Å; R151-D160 WeakPolarHBondContact CB-OD1 3.48Å; R151-D160 WeakPolarHBondContact CD-OD1 3.22Å; R151-D160 WeakPolarHBondContact CG-OD1 3.25Å; R151-D160 IonicContact CZ-OD1 2.69Å; R151-D160 IonicContact CZ-OD2 3.94Å; R151-D160 IonicContact NE-OD1 2.82Å; R151-D160 PolarHBondContact NE-OD1 2.83Å; R151-D160 IonicContact NE-OD2 3.66Å; R151-D160 IonicContact NH2-OD1 3.11Å; R151-D160 IonicContact NH2-OD2 3.13Å; R151-D160 PolarHBondContact NH2-OD2 3.21Å; R151-I189 HydrophobicContact CB-CB 4.4Å; R151-I189 PolarHBondContact N-O 3.12Å; R151-I189 PolarHBondContact O-N 3.45Å |
| 152 | K | 94.1 | Very high | 89.9 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 15% | 0.148 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.2 | 179.5 | 179.8 | 178.9 | 179.6 | 163.5 | 0 | 110.3 | A158 E159 F161 D184 S186 Y188 | K152-A158 VanDerWaalsContact O-CA 3.29Å; K152-A158 WeakPolarHBondContact O-CA 3.24Å; K152-E159 PolarHBondContact N-O 3.25Å; K152-E159 PolarHBondContact O-N 3.4Å; K152-F161 HydrophobicContact CB-CE1 4.15Å; K152-D184 IonicContact NZ-OD2 2.96Å; K152-D184 PolarHBondContact NZ-OD2 3.08Å; K152-S186 WeakPolarHBondContact CE-OG 3.48Å; K152-Y188 HydrophobicContact CB-CD1 4.18Å; K152-Y188 HydrophobicContact CB-CE1 3.97Å; K152-Y188 HydrophobicContact CD-CE1 3.81Å; K152-Y188 VanDerWaalsContact CE-OH 3.27Å; K152-Y188 WeakPolarHBondContact CE-OH 3.44Å; K152-Y188 HydrophobicContact CG-CD1 4.32Å; K152-Y188 HydrophobicContact CG-CE1 3.79Å; K152-Y188 PolarHBondContact NZ-OH 3.01Å; K152-Y188 VanDerWaalsContact NZ-OH 3.1Å |
| 153 | F | 91 | Very high | 90.5 | Very high | 72 Ų | 72 | 60.5 Ų | 60.5 | 32% | 0.316 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.6 | 174.8 | -63.1 | -95.5 | 0 | 0 | 0 | 109.7 | R151 A158 S186 F187 I189 | R151-F153 HydrophobicContact CB-CE2 4.3Å; R151-F153 HydrophobicContact CG-CD2 4.17Å; R151-F153 HydrophobicContact CG-CE2 3.45Å; R151-F153 VanDerWaalsContact CG-CE2 3.45Å; R151-F153 HydrophobicContact CG-CZ 3.69Å; F153-A158 HydrophobicContact CD1-CB 3.85Å; F153-A158 HydrophobicContact CE1-CB 3.77Å; F153-A158 HydrophobicContact CG-CB 4.49Å; F153-A158 HydrophobicContact CZ-CB 4.36Å; F153-S186 VanDerWaalsContact O-CA 3.32Å; F153-S186 WeakPolarHBondContact O-CA 3.19Å; F153-S186 VanDerWaalsContact O-CB 3.29Å; F153-S186 WeakPolarHBondContact O-CB 3.34Å; F153-F187 HydrophobicContact CB-CB 4.29Å; F153-F187 PolarHBondContact N-O 3.05Å; F153-F187 PolarHBondContact O-N 2.87Å; F153-I189 HydrophobicContact CD2-CD1 4.38Å; F153-I189 HydrophobicContact CD2-CG1 4.32Å; F153-I189 HydrophobicContact CE2-CB 4.38Å; F153-I189 HydrophobicContact CE2-CD1 3.43Å; F153-I189 VanDerWaalsContact CE2-CD1 3.43Å; F153-I189 HydrophobicContact CE2-CG1 3.7Å; F153-I189 HydrophobicContact CZ-CD1 3.95Å |
| 154 | Q | 84.8 | Confident | 90.9 | Very high | 107 Ų | 107 | 62.7 Ų | 62.7 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -131.8 | -153.1 | 176.2 | -155.4 | -174.3 | 9.6 | 0 | 0 | 109.4 | S186 | Q154-S186 WeakPolarHBondContact CG-OG 3.38Š|
| 155 | N | 77.3 | Confident | 91.2 | Very high | 172 Ų | 172 | 62.6 Ų | 62.6 | 92% | 0.92 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -76.1 | -14.3 | 172.3 | -62.3 | -21 | 0 | 0 | 0 | 112.2 | ||
| 156 | S | 75.7 | Confident | 91.3 | Very high | 63 Ų | 63 | 63.6 Ų | 63.6 | 44% | 0.441 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -92.3 | 164.7 | 172.9 | 46.1 | 0 | 0 | 0 | 0 | 111 | ||
| 157 | P | 82.8 | Confident | 91.4 | Very high | 119 Ų | 119 | 65.9 Ų | 65.9 | 77% | 0.773 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -52.5 | 147.7 | 169.3 | 22.5 | -34.7 | 0 | 0 | 0 | 111.4 | E159 | P157-E159 PolarHBondContact O-N 2.95Š|
| 158 | A | 86.8 | Confident | 91.3 | Very high | 49 Ų | 49 | 66.8 Ų | 66.8 | 41% | 0.405 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 129.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R151 K152 F153 | R151-A158 HydrophobicContact CG-CB 4.19Å; K152-A158 VanDerWaalsContact O-CA 3.29Å; K152-A158 WeakPolarHBondContact O-CA 3.24Å; F153-A158 HydrophobicContact CD1-CB 3.85Å; F153-A158 HydrophobicContact CE1-CB 3.77Å; F153-A158 HydrophobicContact CG-CB 4.49Å; F153-A158 HydrophobicContact CZ-CB 4.36Å |
| 159 | E | 90.2 | Very high | 91 | Very high | 114 Ų | 114 | 72.6 Ų | 72.6 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124.5 | -179.8 | -173.7 | 178.7 | -161.1 | 0 | 0 | 109.6 | R151 K152 P157 F161 | R151-E159 WeakPolarHBondContact CA-O 3.36Å; K152-E159 PolarHBondContact N-O 3.25Å; K152-E159 PolarHBondContact O-N 3.4Å; P157-E159 PolarHBondContact O-N 2.95Å; E159-F161 HydrophobicContact CG-CD1 4.3Å |
| 160 | D | 91.8 | Very high | 90.9 | Very high | 62 Ų | 62 | 81.2 Ų | 81.2 | 33% | 0.332 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.8 | 177.1 | -77.7 | 0.5 | 0 | 0 | 0 | 109.3 | V150 R151 | V150-D160 WeakPolarHBondContact O-CA 3.46Å; R151-D160 WeakPolarHBondContact CB-OD1 3.48Å; R151-D160 WeakPolarHBondContact CD-OD1 3.22Å; R151-D160 WeakPolarHBondContact CG-OD1 3.25Å; R151-D160 IonicContact CZ-OD1 2.69Å; R151-D160 IonicContact CZ-OD2 3.94Å; R151-D160 IonicContact NE-OD1 2.82Å; R151-D160 PolarHBondContact NE-OD1 2.83Å; R151-D160 IonicContact NE-OD2 3.66Å; R151-D160 IonicContact NH2-OD1 3.11Å; R151-D160 IonicContact NH2-OD2 3.13Å; R151-D160 PolarHBondContact NH2-OD2 3.21Å |
| 161 | F | 92.6 | Very high | 90.7 | Very high | 60 Ų | 60 | 83.8 Ų | 83.8 | 26% | 0.263 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 177 | 174.5 | 64.1 | -85.8 | 0 | 0 | 0 | 111.3 | V150 K152 E159 E163 L178 | V150-F161 HydrophobicContact CB-CD1 4.35Å; V150-F161 HydrophobicContact CB-CD2 4.14Å; V150-F161 HydrophobicContact CB-CE1 4.1Å; V150-F161 HydrophobicContact CB-CE2 3.87Å; V150-F161 HydrophobicContact CB-CG 4.37Å; V150-F161 HydrophobicContact CB-CZ 3.86Å; V150-F161 HydrophobicContact CG1-CD1 4.4Å; V150-F161 HydrophobicContact CG1-CE1 3.7Å; V150-F161 HydrophobicContact CG1-CE2 3.95Å; V150-F161 HydrophobicContact CG1-CZ 3.45Å; V150-F161 VanDerWaalsContact CG1-CZ 3.45Å; V150-F161 HydrophobicContact CG2-CD2 4.47Å; V150-F161 HydrophobicContact CG2-CE2 4.1Å; V150-F161 HydrophobicContact CG2-CZ 4.44Å; V150-F161 PolarHBondContact N-O 3.35Å; V150-F161 PolarHBondContact O-N 3.43Å; K152-F161 HydrophobicContact CB-CE1 4.15Å; E159-F161 HydrophobicContact CG-CD1 4.3Å; F161-E163 HydrophobicContact CE2-CG 4.26Å; F161-L178 HydrophobicContact CE2-CD1 3.63Å; F161-L178 HydrophobicContact CZ-CD1 3.72Å |
| 162 | Q | 94.1 | Very high | 90.8 | Very high | 92 Ų | 92 | 84.9 Ų | 84.9 | 43% | 0.43 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 142.3 | -176.8 | -55.8 | -173.7 | 7.3 | 0 | 0 | 111 | L148 L149 | L148-Q162 CarbonylContact O-C 3.59Å; L148-Q162 VanDerWaalsContact O-CA 3.27Å; L148-Q162 WeakPolarHBondContact O-CA 3.48Å; L149-Q162 HydrophobicContact CD2-CG 3.8Å |
| 163 | E | 95.8 | Very high | 90.9 | Very high | 54 Ų | 54 | 86.5 Ų | 86.5 | 25% | 0.252 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.8 | 171.2 | -67.1 | -64.3 | 168.5 | 0 | 0 | 110.7 | L148 F161 L178 | L148-E163 HydrophobicContact CB-CB 4.22Å; L148-E163 PolarHBondContact N-O 3.26Å; L148-E163 PolarHBondContact O-N 3.07Å; F161-E163 HydrophobicContact CE2-CG 4.26Å; E163-L178 HydrophobicContact CG-CD1 4.19Å |
| 164 | P | 95.3 | Very high | 91.2 | Very high | 87 Ų | 87 | 83.3 Ų | 83.3 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 140.1 | 178.5 | 30 | -33.4 | 0 | 0 | 0 | 110.9 | ||
| 165 | C | 96.2 | Very high | 91.8 | Very high | 16 Ų | 16 | 80 Ų | 80 | 11% | 0.108 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.6 | 174.5 | -50.2 | 0 | 0 | 0 | 0 | 110.5 | A146 V147 L148 S175 C176 | A146-C165 HydrophobicContact CB-CB 3.77Å; A146-C165 WeakPolarHBondContact O-CB 3.34Å; A146-C165 PolarHBondContact O-N 2.81Å; V147-C165 VanDerWaalsContact CA-SG 3.56Å; L148-C165 PolarHBondContact N-SG 2.92Å; L148-C165 VanDerWaalsContact N-SG 3.35Å; C165-S175 CarbonylContact C-O 3.52Å; C165-S175 WeakPolarHBondContact CA-O 3.23Å; C165-C176 HydrophobicContact CB-CB 3.88Å; C165-C176 WeakPolarHBondContact CB-SG 3.29Å; C165-C176 WeakPolarHBondContact SG-CB 3.3Å; C165-C176 CovalentContact SG-SG 2.02Å; C165-C176 PolarHBondContact SG-SG 3.28Å |
| 166 | Q | 95.5 | Very high | 92.7 | Very high | 150 Ų | 150 | 71.8 Ų | 71.8 | 70% | 0.701 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137.7 | -179.7 | -62.2 | 168.9 | 21.3 | 0 | 0 | 109.4 | F174 S175 | Q166-F174 CarbonylContact O-C 3.55Å; Q166-F174 WeakPolarHBondContact O-CA 3.36Å; Q166-S175 PolarHBondContact N-O 2.91Å; Q166-S175 PolarHBondContact O-N 2.83Å |
| 167 | Y | 95.3 | Very high | 93.7 | Very high | 53 Ų | 53 | 74.3 Ų | 74.3 | 21% | 0.208 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 118.9 | 173.2 | -171.4 | -107.4 | 0 | 0 | 0 | 109.8 | P136 P140 Q172 K173 F174 | P136-Y167 HydrophobicContact CG-CE2 4.07Å; P140-Y167 VanDerWaalsContact CD-CZ 3.42Å; P140-Y167 WeakPolarHBondContact CD-OH 3.38Å; P140-Y167 HydrophobicContact CG-CD1 4.42Å; P140-Y167 HydrophobicContact CG-CD2 4Å; P140-Y167 HydrophobicContact CG-CE1 4.15Å; P140-Y167 HydrophobicContact CG-CE2 3.72Å; P140-Y167 HydrophobicContact CG-CG 4.34Å; Y167-Q172 VanDerWaalsContact OH-CD 3.28Å; Y167-Q172 PolarHBondContact OH-OE1 3.29Å; Y167-K173 WeakPolarHBondContact CA-O 3.26Å; Y167-F174 HydrophobicContact CD2-CD1 4.01Å; Y167-F174 AromaticContact CD2-CD2 3.76Å; Y167-F174 HydrophobicContact CD2-CD2 3.76Å; Y167-F174 AromaticContact CD2-CE1 3.96Å; Y167-F174 HydrophobicContact CD2-CE1 3.96Å; Y167-F174 AromaticContact CD2-CE2 3.7Å; Y167-F174 HydrophobicContact CD2-CE2 3.7Å; Y167-F174 AromaticContact CD2-CG 3.92Å; Y167-F174 HydrophobicContact CD2-CG 3.92Å; Y167-F174 AromaticContact CD2-CZ 3.79Å; Y167-F174 HydrophobicContact CD2-CZ 3.79Å; Y167-F174 HydrophobicContact CE2-CD2 4.3Å; Y167-F174 HydrophobicContact CE2-CE2 4.19Å; Y167-F174 HydrophobicContact CG-CD1 4.41Å; Y167-F174 HydrophobicContact CG-CE1 4.16Å; Y167-F174 HydrophobicContact CG-CZ 4.22Å |
| 168 | S | 94.5 | Very high | 94.4 | Very high | 43 Ų | 43 | 68.7 Ų | 68.7 | 30% | 0.301 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 126.3 | 174.4 | 175 | 0 | 0 | 0 | 0 | 110.4 | E170 S171 Q172 K173 | S168-E170 VanDerWaalsContact C-N 3.3Å; S168-E170 PolarHBondContact OG-N 3.42Å; S168-S171 WeakPolarHBondContact CB-OG 3.16Å; S168-Q172 VanDerWaalsContact O-CA 3.24Å; S168-Q172 WeakPolarHBondContact O-CA 3.44Å; S168-Q172 PolarHBondContact O-N 3.27Å; S168-K173 PolarHBondContact N-O 2.96Å; S168-K173 PolarHBondContact O-N 3.25Å |
| 169 | Q | 91.8 | Very high | 94.8 | Very high | 122 Ų | 122 | 69.4 Ų | 69.4 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -29.9 | 175.6 | -67.5 | -65.1 | -26 | 0 | 0 | 112.1 | Q172 | Q169-Q172 PolarHBondContact O-NE2 3.25Š|
| 170 | E | 93.1 | Very high | 94.9 | Very high | 189 Ų | 189 | 64.3 Ų | 64.3 | 88% | 0.883 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -46.8 | -178.9 | -65.4 | 178.2 | -178.5 | 0 | 0 | 111.8 | S168 | S168-E170 VanDerWaalsContact C-N 3.3Å; S168-E170 PolarHBondContact OG-N 3.42Å |
| 171 | S | 92 | Very high | 94.9 | Very high | 59 Ų | 59 | 64.9 Ų | 64.9 | 41% | 0.413 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -9.6 | 179.7 | 64.4 | 0 | 0 | 0 | 0 | 113.4 | S168 K173 | S168-S171 WeakPolarHBondContact CB-OG 3.16Å; S171-K173 WeakPolarHBondContact O-CG 3.42Å; S171-K173 PolarHBondContact O-N 3.35Å |
| 172 | Q | 95.7 | Very high | 94.6 | Very high | 66 Ų | 66 | 66.7 Ų | 66.7 | 31% | 0.308 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 36.3 | -171.2 | -67.5 | -71.9 | -70.3 | 0 | 0 | 112.5 | P136 T139 Y167 S168 Q169 | P136-Q172 WeakPolarHBondContact CD-O 3.2Å; T139-Q172 PolarHBondContact OG1-OE1 2.96Å; Y167-Q172 VanDerWaalsContact OH-CD 3.28Å; Y167-Q172 PolarHBondContact OH-OE1 3.29Å; S168-Q172 VanDerWaalsContact O-CA 3.24Å; S168-Q172 WeakPolarHBondContact O-CA 3.44Å; S168-Q172 PolarHBondContact O-N 3.27Å; Q169-Q172 PolarHBondContact O-NE2 3.25Å |
| 173 | K | 96.8 | Very high | 94.1 | Very high | 68 Ų | 68 | 65.6 Ų | 65.6 | 30% | 0.296 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 148.4 | -176 | -70.3 | 172.1 | -178.9 | -174.5 | 0 | 112.3 | E133 W134 Y167 S168 S171 | E133-K173 IonicContact OE1-NZ 3.51Å; E133-K173 PolarHBondContact OE1-NZ 2.98Å; E133-K173 IonicContact OE2-NZ 3.63Å; W134-K173 CarbonylContact O-C 3.56Å; W134-K173 WeakPolarHBondContact O-CA 3.45Å; Y167-K173 WeakPolarHBondContact CA-O 3.26Å; S168-K173 PolarHBondContact N-O 2.96Å; S168-K173 PolarHBondContact O-N 3.25Å; S171-K173 WeakPolarHBondContact O-CG 3.42Å; S171-K173 PolarHBondContact O-N 3.35Å |
| 174 | F | 96.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 2% | 0.022 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 132.3 | 158.4 | -72.8 | -79.8 | 0 | 0 | 0 | 109.1 | E133 W134 P136 P140 T144 A146 Q166 Y167 M192 | E133-F174 CarbonylContact C-O 3.57Å; E133-F174 WeakPolarHBondContact CA-O 3.34Å; E133-F174 WeakPolarHBondContact CB-O 3.49Å; W134-F174 AromaticContact CE3-CD2 3.7Å; W134-F174 HydrophobicContact CE3-CD2 3.7Å; W134-F174 HydrophobicContact CE3-CE2 4.41Å; W134-F174 AromaticContact CZ3-CD2 3.71Å; W134-F174 HydrophobicContact CZ3-CD2 3.71Å; W134-F174 AromaticContact CZ3-CE2 3.95Å; W134-F174 HydrophobicContact CZ3-CE2 3.95Å; W134-F174 PolarHBondContact N-O 3.08Å; W134-F174 PolarHBondContact O-N 2.68Å; P136-F174 HydrophobicContact CG-CE2 4.44Å; P140-F174 HydrophobicContact CB-CE2 4.21Å; P140-F174 HydrophobicContact CB-CZ 4.24Å; P140-F174 HydrophobicContact CG-CE2 3.79Å; P140-F174 HydrophobicContact CG-CZ 3.82Å; T144-F174 HydrophobicContact CG2-CZ 4.03Å; A146-F174 HydrophobicContact CB-CB 4.24Å; A146-F174 HydrophobicContact CB-CD1 3.44Å; A146-F174 VanDerWaalsContact CB-CD1 3.44Å; A146-F174 HydrophobicContact CB-CD2 4.49Å; A146-F174 HydrophobicContact CB-CE1 3.81Å; A146-F174 HydrophobicContact CB-CG 3.81Å; A146-F174 HydrophobicContact CB-CZ 4.49Å; Q166-F174 CarbonylContact O-C 3.55Å; Q166-F174 WeakPolarHBondContact O-CA 3.36Å; Y167-F174 HydrophobicContact CD2-CD1 4.01Å; Y167-F174 AromaticContact CD2-CD2 3.76Å; Y167-F174 HydrophobicContact CD2-CD2 3.76Å; Y167-F174 AromaticContact CD2-CE1 3.96Å; Y167-F174 HydrophobicContact CD2-CE1 3.96Å; Y167-F174 AromaticContact CD2-CE2 3.7Å; Y167-F174 HydrophobicContact CD2-CE2 3.7Å; Y167-F174 AromaticContact CD2-CG 3.92Å; Y167-F174 HydrophobicContact CD2-CG 3.92Å; Y167-F174 AromaticContact CD2-CZ 3.79Å; Y167-F174 HydrophobicContact CD2-CZ 3.79Å; Y167-F174 HydrophobicContact CE2-CD2 4.3Å; Y167-F174 HydrophobicContact CE2-CE2 4.19Å; Y167-F174 HydrophobicContact CG-CD1 4.41Å; Y167-F174 HydrophobicContact CG-CE1 4.16Å; Y167-F174 HydrophobicContact CG-CZ 4.22Å; F174-M192 HydrophobicContact CB-CE 4.27Å; F174-M192 HydrophobicContact CB-SD 4.32Å |
| 175 | S | 97.4 | Very high | 93.4 | Very high | 36 Ų | 36 | 63 Ų | 63 | 25% | 0.252 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 132 | 179.6 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | C165 Q166 | C165-S175 CarbonylContact C-O 3.52Å; C165-S175 WeakPolarHBondContact CA-O 3.23Å; Q166-S175 PolarHBondContact N-O 2.91Å; Q166-S175 PolarHBondContact O-N 2.83Å |
| 176 | C | 97.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.007 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 147.6 | 177.2 | -13.2 | 0 | 0 | 0 | 0 | 108.9 | C132 L148 C165 M192 | C132-C176 PolarHBondContact N-O 3.3Å; C132-C176 PolarHBondContact O-N 2.89Å; L148-C176 HydrophobicContact CB-CB 3.98Å; L148-C176 HydrophobicContact CD2-CB 4.37Å; C165-C176 HydrophobicContact CB-CB 3.88Å; C165-C176 WeakPolarHBondContact CB-SG 3.29Å; C165-C176 WeakPolarHBondContact SG-CB 3.3Å; C165-C176 CovalentContact SG-SG 2.02Å; C165-C176 PolarHBondContact SG-SG 3.28Å; C176-M192 VanDerWaalsContact SG-CE 3.53Å |
| 177 | Q | 97.1 | Very high | 93.1 | Very high | 115 Ų | 115 | 60.4 Ų | 60.4 | 54% | 0.537 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.1 | 177.6 | -61.7 | -172.1 | 20 | 0 | 0 | 109.4 | N129 V130 | N129-Q177 HydrophobicContact CB-CB 4.22Å; N129-Q177 PolarHBondContact ND2-OE1 3.36Å; V130-Q177 WeakPolarHBondContact O-CA 3.41Å |
| 178 | L | 96.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 118.1 | 174.7 | 172.2 | 63.9 | 0 | 0 | 0 | 108.8 | V130 L148 V150 F161 E163 V180 Y188 V190 F208 | V130-L178 HydrophobicContact CB-CB 4.24Å; V130-L178 PolarHBondContact N-O 3.11Å; V130-L178 PolarHBondContact O-N 3.39Å; L148-L178 HydrophobicContact CD2-CB 4.44Å; V150-L178 HydrophobicContact CG1-CD1 4.28Å; V150-L178 HydrophobicContact CG1-CD2 4.23Å; V150-L178 HydrophobicContact CG2-CD1 4.24Å; V150-L178 HydrophobicContact CG2-CD2 4.46Å; F161-L178 HydrophobicContact CE2-CD1 3.63Å; F161-L178 HydrophobicContact CZ-CD1 3.72Å; E163-L178 HydrophobicContact CG-CD1 4.19Å; L178-V180 HydrophobicContact CD2-CG2 4.18Å; L178-V180 HydrophobicContact CG-CG2 3.99Å; L178-V180 PolarHBondContact O-N 2.93Å; L178-Y188 HydrophobicContact CD2-CD1 4.02Å; L178-Y188 HydrophobicContact CD2-CE1 4.4Å; L178-V190 HydrophobicContact CD2-CG1 4.3Å; L178-F208 HydrophobicContact CD2-CZ 4.08Å |
| 179 | A | 95.3 | Very high | 93.2 | Very high | 65 Ų | 65 | 57.7 Ų | 57.7 | 54% | 0.537 | 32% | 0.323 | S | S | . | . | trans | -75.3 | 117.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 180 | V | 93 | Very high | 93.4 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | trans | -120.6 | 115.1 | 175.9 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | R123 V130 L178 D184 Y188 | R123-V180 PolarHBondContact NH1-O 3.18Å; R123-V180 PolarHBondContact NH2-O 3Å; V130-V180 HydrophobicContact CB-CG2 4.49Å; V130-V180 HydrophobicContact CG2-CB 4.22Å; V130-V180 HydrophobicContact CG2-CG2 3.65Å; L178-V180 HydrophobicContact CD2-CG2 4.18Å; L178-V180 HydrophobicContact CG-CG2 3.99Å; L178-V180 PolarHBondContact O-N 2.93Å; V180-D184 HydrophobicContact CG1-CB 3.88Å; V180-Y188 HydrophobicContact CG1-CE2 4.09Å; V180-Y188 HydrophobicContact CG2-CE2 4.25Å | ||
| 181 | P | 89.9 | Confident | 93.6 | Very high | 74 Ų | 74 | 43 Ų | 43 | 48% | 0.481 | 26% | 0.255 | S | S | . | . | trans | -62.6 | 156.6 | -177.6 | 20.1 | -24.6 | 0 | 0 | 0 | 111.8 | D184 | P181-D184 WeakPolarHBondContact CD-OD2 3.33Å; P181-D184 HydrophobicContact CG-CB 3.94Å; P181-D184 VanDerWaalsContact O-CB 3.26Å; P181-D184 WeakPolarHBondContact O-CB 3.41Å; P181-D184 PolarHBondContact O-N 3.41Å | ||
| 182 | E | 87.2 | Confident | 93.8 | Very high | 98 Ų | 98 | 40.2 Ų | 40.2 | 46% | 0.458 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 140.7 | 175.5 | -62.9 | -168.7 | 133.1 | 0 | 0 | 110.9 | L127 D184 Y249 | L127-E182 VanDerWaalsContact CD2-CD 3.5Å; L127-E182 HydrophobicContact CD2-CG 4.22Å; L127-E182 WeakPolarHBondContact CD2-OE1 3.37Å; E182-D184 PolarHBondContact O-N 3.18Å; E182-Y249 WeakPolarHBondContact OE1-CE2 3.11Å; E182-Y249 PolarHBondContact OE1-OH 2.86Å; E182-Y249 PolarHBondContact OE2-OH 2.85Å |
| 183 | G | 83.2 | Confident | 93.8 | Very high | 68 Ų | 68 | 37.1 Ų | 37.1 | 70% | 0.701 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70 | 8.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S185 | G183-S185 PolarHBondContact O-N 2.82Å; G183-S185 VanDerWaalsContact O-N 3.09Å |
| 184 | D | 88.8 | Confident | 93.7 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | trans | -66.8 | 110.1 | 177.7 | -164.2 | -8.9 | 0 | 0 | 0 | 111.3 | K152 V180 P181 E182 S186 Y188 G210 C211 | K152-D184 IonicContact NZ-OD2 2.96Å; K152-D184 PolarHBondContact NZ-OD2 3.08Å; V180-D184 HydrophobicContact CG1-CB 3.88Å; P181-D184 WeakPolarHBondContact CD-OD2 3.33Å; P181-D184 HydrophobicContact CG-CB 3.94Å; P181-D184 VanDerWaalsContact O-CB 3.26Å; P181-D184 WeakPolarHBondContact O-CB 3.41Å; P181-D184 PolarHBondContact O-N 3.41Å; E182-D184 PolarHBondContact O-N 3.18Å; D184-S186 VanDerWaalsContact C-N 3.31Å; D184-S186 WeakPolarHBondContact OD1-CB 3.47Å; D184-S186 PolarHBondContact OD1-N 3.24Å; D184-S186 PolarHBondContact OD1-OG 2.89Å; D184-Y188 PolarHBondContact OD2-OH 2.73Å; D184-G210 CarbonylContact O-C 3.53Å; D184-G210 WeakPolarHBondContact O-CA 3.26Å; D184-C211 PolarHBondContact O-N 2.93Å | ||
| 185 | S | 88.3 | Confident | 93.5 | Very high | 76 Ų | 76 | 33.9 Ų | 33.9 | 53% | 0.531 | 21% | 0.208 | S | C | . | . | trans | -88.1 | 2.4 | 176.4 | 60 | 0 | 0 | 0 | 0 | 113.4 | G183 Q209 | G183-S185 PolarHBondContact O-N 2.82Å; G183-S185 VanDerWaalsContact O-N 3.09Å; S185-Q209 PolarHBondContact O-NE2 3.32Å | ||
| 186 | S | 92.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | trans | -62.3 | 148.8 | 177.2 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | K152 F153 Q154 D184 G210 | K152-S186 WeakPolarHBondContact CE-OG 3.48Å; F153-S186 VanDerWaalsContact O-CA 3.32Å; F153-S186 WeakPolarHBondContact O-CA 3.19Å; F153-S186 VanDerWaalsContact O-CB 3.29Å; F153-S186 WeakPolarHBondContact O-CB 3.34Å; Q154-S186 WeakPolarHBondContact CG-OG 3.38Å; D184-S186 VanDerWaalsContact C-N 3.31Å; D184-S186 WeakPolarHBondContact OD1-CB 3.47Å; D184-S186 PolarHBondContact OD1-N 3.24Å; D184-S186 PolarHBondContact OD1-OG 2.89Å; S186-G210 PolarHBondContact O-N 3Å | ||
| 187 | F | 93.6 | Very high | 92.7 | Very high | 108 Ų | 108 | 33.2 Ų | 33.2 | 47% | 0.474 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 134.7 | 170.5 | -74.1 | -88.1 | 0 | 0 | 0 | 110.1 | F153 Q209 | F153-F187 HydrophobicContact CB-CB 4.29Å; F153-F187 PolarHBondContact N-O 3.05Å; F153-F187 PolarHBondContact O-N 2.87Å; F187-Q209 HydrophobicContact CD1-CB 4.28Å; F187-Q209 HydrophobicContact CE1-CB 4.06Å; F187-Q209 HydrophobicContact CE1-CG 4.42Å; F187-Q209 HydrophobicContact CZ-CG 4.44Å |
| 188 | Y | 95 | Very high | 92.2 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.5 | 177.7 | -68.1 | -94.4 | 0 | 0 | 0 | 108.8 | V150 K152 L178 V180 D184 T207 F208 | V150-Y188 HydrophobicContact CG1-CD1 3.84Å; V150-Y188 HydrophobicContact CG1-CE1 4.47Å; K152-Y188 HydrophobicContact CB-CD1 4.18Å; K152-Y188 HydrophobicContact CB-CE1 3.97Å; K152-Y188 HydrophobicContact CD-CE1 3.81Å; K152-Y188 VanDerWaalsContact CE-OH 3.27Å; K152-Y188 WeakPolarHBondContact CE-OH 3.44Å; K152-Y188 HydrophobicContact CG-CD1 4.32Å; K152-Y188 HydrophobicContact CG-CE1 3.79Å; K152-Y188 PolarHBondContact NZ-OH 3.01Å; K152-Y188 VanDerWaalsContact NZ-OH 3.1Å; L178-Y188 HydrophobicContact CD2-CD1 4.02Å; L178-Y188 HydrophobicContact CD2-CE1 4.4Å; V180-Y188 HydrophobicContact CG1-CE2 4.09Å; V180-Y188 HydrophobicContact CG2-CE2 4.25Å; D184-Y188 PolarHBondContact OD2-OH 2.73Å; Y188-T207 VanDerWaalsContact O-CA 3.28Å; Y188-T207 WeakPolarHBondContact O-CA 3.45Å; Y188-F208 HydrophobicContact CD2-CD2 4.48Å; Y188-F208 HydrophobicContact CD2-CE2 4.06Å; Y188-F208 HydrophobicContact CG-CE2 4.05Å; Y188-F208 HydrophobicContact CG-CZ 4.36Å; Y188-F208 PolarHBondContact N-O 3.47Å; Y188-F208 PolarHBondContact O-N 3.36Å |
| 189 | I | 95.6 | Very high | 91.8 | Very high | 36 Ų | 36 | 31 Ų | 31 | 19% | 0.185 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 119.2 | 165.7 | -57.9 | -176.5 | 0 | 0 | 0 | 106.9 | R151 F153 T205 T207 | R151-I189 HydrophobicContact CB-CB 4.4Å; R151-I189 PolarHBondContact N-O 3.12Å; R151-I189 PolarHBondContact O-N 3.45Å; F153-I189 HydrophobicContact CD2-CD1 4.38Å; F153-I189 HydrophobicContact CD2-CG1 4.32Å; F153-I189 HydrophobicContact CE2-CB 4.38Å; F153-I189 HydrophobicContact CE2-CD1 3.43Å; F153-I189 VanDerWaalsContact CE2-CD1 3.43Å; F153-I189 HydrophobicContact CE2-CG1 3.7Å; F153-I189 HydrophobicContact CZ-CD1 3.95Å; I189-T205 HydrophobicContact CG2-CG2 4Å; I189-T207 HydrophobicContact CG1-CG2 4.05Å |
| 190 | V | 96.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 145 | -178.4 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | L119 L148 L149 V150 L178 T205 Q206 F208 | L119-V190 HydrophobicContact CD2-CG2 3.95Å; L148-V190 HydrophobicContact CD1-CB 4.17Å; L148-V190 HydrophobicContact CD2-CG1 4.41Å; L148-V190 HydrophobicContact CG-CB 4.36Å; L149-V190 VanDerWaalsContact O-CA 3.28Å; L149-V190 WeakPolarHBondContact O-CA 3.47Å; V150-V190 HydrophobicContact CB-CG1 4.49Å; V150-V190 HydrophobicContact CG1-CG1 4.17Å; V150-V190 HydrophobicContact CG2-CG1 4.13Å; L178-V190 HydrophobicContact CD2-CG1 4.3Å; V190-T205 CarbonylContact O-C 3.48Å; V190-T205 VanDerWaalsContact O-CA 3.31Å; V190-T205 WeakPolarHBondContact O-CA 3.23Å; V190-Q206 HydrophobicContact CG2-CB 4.03Å; V190-Q206 WeakPolarHBondContact CG2-O 3.37Å; V190-Q206 PolarHBondContact N-O 2.04Å; V190-Q206 PolarHBondContact O-N 2.96Å; V190-F208 HydrophobicContact CG1-CE1 4.1Å; V190-F208 HydrophobicContact CG1-CZ 4.33Å; V190-F208 HydrophobicContact CG2-CE1 3.84Å |
| 191 | S | 96.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 133.6 | 172.1 | 176.8 | 0 | 0 | 0 | 0 | 109.2 | L149 S203 | L149-S191 WeakPolarHBondContact CB-O 3.49Å; L149-S191 PolarHBondContact N-O 3Å; L149-S191 PolarHBondContact O-N 2.92Å; S191-S203 PolarHBondContact OG-O 3.11Å; S191-S203 PolarHBondContact OG-OG 3.2Å |
| 192 | M | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 123 | 176.5 | -177.9 | -179.9 | -79.1 | 0 | 0 | 109.2 | P117 L119 W134 L148 F174 C176 V194 F202 S203 | P117-M192 HydrophobicContact CB-CB 4.46Å; P117-M192 HydrophobicContact CB-CG 4.45Å; P117-M192 HydrophobicContact CB-SD 4.2Å; L119-M192 HydrophobicContact CD1-CB 3.82Å; L119-M192 HydrophobicContact CD1-CE 3.72Å; L119-M192 HydrophobicContact CD1-SD 4.41Å; L119-M192 HydrophobicContact CD2-CB 4.34Å; L119-M192 HydrophobicContact CG-CB 4.5Å; W134-M192 HydrophobicContact CB-CE 4.19Å; W134-M192 HydrophobicContact CB-SD 3.74Å; W134-M192 HydrophobicContact CD2-SD 4.45Å; W134-M192 HydrophobicContact CE3-SD 3.92Å; W134-M192 HydrophobicContact CG-SD 4.43Å; L148-M192 HydrophobicContact CD1-CB 4.43Å; F174-M192 HydrophobicContact CB-CE 4.27Å; F174-M192 HydrophobicContact CB-SD 4.32Å; C176-M192 VanDerWaalsContact SG-CE 3.53Å; M192-V194 HydrophobicContact CG-CG2 4.02Å; M192-V194 HydrophobicContact SD-CG2 4.2Å; M192-F202 CarbonylContact O-C 3.56Å; M192-F202 WeakPolarHBondContact O-CA 3.26Å; M192-S203 PolarHBondContact N-OG 3.22Å; M192-S203 PolarHBondContact O-N 3.38Å |
| 193 | C | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 132.6 | 169.8 | 159.9 | 0 | 0 | 0 | 0 | 109.3 | C25 A146 V147 L149 F202 | C25-C193 WeakPolarHBondContact CA-SG 3.35Å; C25-C193 HydrophobicContact CB-CB 4.17Å; C25-C193 WeakPolarHBondContact CB-SG 3.46Å; C25-C193 WeakPolarHBondContact SG-CB 3.34Å; C25-C193 CovalentContact SG-SG 1.99Å; C25-C193 PolarHBondContact SG-SG 2.91Å; A146-C193 CarbonylContact C-O 3.5Å; A146-C193 WeakPolarHBondContact CA-O 3.36Å; V147-C193 HydrophobicContact CG2-CB 3.79Å; V147-C193 PolarHBondContact N-O 2.98Å; V147-C193 PolarHBondContact O-N 2.86Å; L149-C193 HydrophobicContact CD1-CB 3.95Å; L149-C193 HydrophobicContact CD2-CB 4.5Å; L149-C193 HydrophobicContact CG-CB 4.11Å; C193-F202 HydrophobicContact CB-CD1 4.08Å; C193-F202 HydrophobicContact CB-CE1 4.15Å |
| 194 | V | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 126.7 | 173.4 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | P114 P117 W134 T144 K145 A146 M192 S200 K201 | P114-V194 HydrophobicContact CB-CB 4.27Å; P114-V194 HydrophobicContact CB-CG1 3.74Å; P114-V194 WeakPolarHBondContact CG-O 3.32Å; P117-V194 HydrophobicContact CB-CG2 4.26Å; P117-V194 HydrophobicContact CG-CB 4Å; P117-V194 HydrophobicContact CG-CG2 3.4Å; W134-V194 HydrophobicContact CE3-CG2 3.98Å; W134-V194 HydrophobicContact CH2-CG2 4.47Å; W134-V194 HydrophobicContact CZ3-CB 4.31Å; W134-V194 HydrophobicContact CZ3-CG1 4.11Å; W134-V194 HydrophobicContact CZ3-CG2 3.59Å; T144-V194 HydrophobicContact CG2-CG1 3.41Å; T144-V194 VanDerWaalsContact CG2-CG1 3.41Å; K145-V194 WeakPolarHBondContact O-CA 3.47Å; A146-V194 HydrophobicContact CB-CG2 3.88Å; M192-V194 HydrophobicContact CG-CG2 4.02Å; M192-V194 HydrophobicContact SD-CG2 4.2Å; V194-S200 CarbonylContact O-C 3.58Å; V194-S200 VanDerWaalsContact O-CA 3.26Å; V194-S200 WeakPolarHBondContact O-CA 3.33Å; V194-K201 PolarHBondContact N-O 3.39Å; V194-K201 PolarHBondContact O-N 2.89Å |
| 195 | A | 92.7 | Very high | 93.2 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 138.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T144 K145 | T144-A195 CarbonylContact C-O 3.57Å; T144-A195 VanDerWaalsContact CA-O 3.32Å; T144-A195 WeakPolarHBondContact CA-O 3.32Å; K145-A195 PolarHBondContact N-O 2.85Å; K145-A195 PolarHBondContact O-N 3.48Å |
| 196 | S | 90.8 | Very high | 93.5 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 4% | 0.035 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | -178.4 | 169.9 | 69.9 | 0 | 0 | 0 | 0 | 109.1 | Q28 V112 P114 V198 G199 | Q28-S196 WeakPolarHBondContact CB-O 3.31Å; V112-S196 PolarHBondContact O-OG 2.92Å; P114-S196 WeakPolarHBondContact CD-OG 3.37Å; S196-V198 PolarHBondContact O-N 3.13Å; S196-V198 WeakPolarHBondContact OG-CG2 3.47Å; S196-V198 PolarHBondContact OG-N 2.73Å; S196-G199 PolarHBondContact N-O 3.27Å; S196-G199 PolarHBondContact OG-N 2.94Å; S196-G199 PolarHBondContact OG-O 3.36Å; S196-G199 VanDerWaalsContact OG-O 3.11Å |
| 197 | S | 86.9 | Confident | 93.6 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 13% | 0.126 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15.7 | 174.2 | 65.2 | 0 | 0 | 0 | 0 | 114.1 | L109 D111 | L109-S197 WeakPolarHBondContact CD2-OG 3.31Å; D111-S197 WeakPolarHBondContact CB-OG 3.47Å; D111-S197 VanDerWaalsContact CG-OG 3.29Å; D111-S197 WeakPolarHBondContact OD2-CB 3.36Å; D111-S197 PolarHBondContact OD2-N 2.92Å; D111-S197 PolarHBondContact OD2-OG 3.24Å |
| 198 | V | 86.6 | Confident | 93.6 | Very high | 41 Ų | 41 | 37.2 Ų | 37.2 | 25% | 0.248 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | 2.5 | -174.3 | -66.6 | 0 | 0 | 0 | 0 | 113.7 | L38 D111 P113 S196 | L38-V198 HydrophobicContact CD2-CB 4.03Å; L38-V198 HydrophobicContact CD2-CG1 4.3Å; L38-V198 HydrophobicContact CD2-CG2 3.95Å; D111-V198 HydrophobicContact CB-CG1 4.03Å; D111-V198 HydrophobicContact CB-CG2 3.99Å; P113-V198 HydrophobicContact CG-CG2 4.03Å; S196-V198 PolarHBondContact O-N 3.13Å; S196-V198 WeakPolarHBondContact OG-CG2 3.47Å; S196-V198 PolarHBondContact OG-N 2.73Å |
| 199 | G | 88.4 | Confident | 93.5 | Very high | 30 Ų | 30 | 40.3 Ų | 40.3 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.9 | 173.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | P114 S196 | P114-G199 VanDerWaalsContact CD-O 3.31Å; P114-G199 WeakPolarHBondContact CD-O 3.26Å; P114-G199 WeakPolarHBondContact CG-O 3.37Å; S196-G199 PolarHBondContact N-O 3.27Å; S196-G199 PolarHBondContact OG-N 2.94Å; S196-G199 PolarHBondContact OG-O 3.36Å; S196-G199 VanDerWaalsContact OG-O 3.11Å |
| 200 | S | 92.3 | Very high | 93.2 | Very high | 57 Ų | 57 | 38.6 Ų | 38.6 | 40% | 0.399 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 147.5 | 179.8 | 61.8 | 0 | 0 | 0 | 0 | 112.3 | V194 | V194-S200 CarbonylContact O-C 3.58Å; V194-S200 VanDerWaalsContact O-CA 3.26Å; V194-S200 WeakPolarHBondContact O-CA 3.33Å |
| 201 | K | 93.4 | Very high | 92.7 | Very high | 99 Ų | 99 | 40 Ų | 40 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 156.1 | 173.1 | -71.6 | -64.3 | -174.7 | 171.3 | 0 | 111 | P114 V194 | P114-K201 HydrophobicContact CG-CB 4.34Å; P114-K201 HydrophobicContact CG-CG 4.25Å; P114-K201 VanDerWaalsContact O-CG 3.26Å; P114-K201 WeakPolarHBondContact O-CG 3.31Å; V194-K201 PolarHBondContact N-O 3.39Å; V194-K201 PolarHBondContact O-N 2.89Å |
| 202 | F | 94.4 | Very high | 92.4 | Very high | 75 Ų | 75 | 41.4 Ų | 41.4 | 33% | 0.329 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144.5 | 179.3 | -59.6 | -99.3 | 0 | 0 | 0 | 109.2 | C25 L149 M192 C193 | C25-F202 HydrophobicContact CB-CE1 3.94Å; C25-F202 HydrophobicContact CB-CE2 4.37Å; C25-F202 HydrophobicContact CB-CZ 3.59Å; C25-F202 WeakPolarHBondContact SG-CE1 3.29Å; C25-F202 WeakPolarHBondContact SG-CZ 3.45Å; L149-F202 HydrophobicContact CD1-CD1 3.85Å; L149-F202 HydrophobicContact CD1-CE1 3.66Å; M192-F202 CarbonylContact O-C 3.56Å; M192-F202 WeakPolarHBondContact O-CA 3.26Å; C193-F202 HydrophobicContact CB-CD1 4.08Å; C193-F202 HydrophobicContact CB-CE1 4.15Å |
| 203 | S | 96.6 | Very high | 92.3 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 163.6 | 168.5 | 74.5 | 0 | 0 | 0 | 0 | 111 | P117 S191 M192 | P117-S203 WeakPolarHBondContact O-CA 3.41Å; P117-S203 WeakPolarHBondContact O-CB 3.08Å; S191-S203 PolarHBondContact OG-O 3.11Å; S191-S203 PolarHBondContact OG-OG 3.2Å; M192-S203 PolarHBondContact N-OG 3.22Å; M192-S203 PolarHBondContact O-N 3.38Å |
| 204 | K | 95.3 | Very high | 92.2 | Very high | 157 Ų | 157 | 42.4 Ų | 42.4 | 68% | 0.683 | 24% | 0.238 | S | C | * | . | P | Polyproline II helix | trans | -55.4 | 148.4 | 157.6 | -65 | -179.6 | -177.5 | 175.3 | 0 | 109.8 | ||
| 205 | T | 94.8 | Very high | 92.3 | Very high | 77 Ų | 77 | 45.2 Ų | 45.2 | 47% | 0.472 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 133.2 | 176.5 | 48.7 | 0 | 0 | 0 | 0 | 110.2 | I189 V190 | I189-T205 HydrophobicContact CG2-CG2 4Å; V190-T205 CarbonylContact O-C 3.48Å; V190-T205 VanDerWaalsContact O-CA 3.31Å; V190-T205 WeakPolarHBondContact O-CA 3.23Å |
| 206 | Q | 94.8 | Very high | 92.5 | Very high | 64 Ų | 64 | 45.1 Ų | 45.1 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 134.2 | 168.5 | -169.9 | 170.5 | 15.5 | 0 | 0 | 108.8 | V190 | V190-Q206 HydrophobicContact CG2-CB 4.03Å; V190-Q206 WeakPolarHBondContact CG2-O 3.37Å; V190-Q206 PolarHBondContact N-O 2.04Å; V190-Q206 PolarHBondContact O-N 2.96Å |
| 207 | T | 94.7 | Very high | 92.8 | Very high | 83 Ų | 83 | 47.1 Ų | 47.1 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133.8 | -178.4 | -54.1 | 0 | 0 | 0 | 0 | 109.6 | Y188 I189 | Y188-T207 VanDerWaalsContact O-CA 3.28Å; Y188-T207 WeakPolarHBondContact O-CA 3.45Å; I189-T207 HydrophobicContact CG1-CG2 4.05Å |
| 208 | F | 94.2 | Very high | 93.3 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 157.8 | 175.5 | 57.4 | -92.1 | 0 | 0 | 0 | 111.3 | C121 V130 L178 Y188 V190 I213 | C121-F208 HydrophobicContact CB-CE1 4.31Å; V130-F208 HydrophobicContact CG1-CE2 4.45Å; V130-F208 HydrophobicContact CG1-CZ 4Å; V130-F208 HydrophobicContact CG2-CE2 4.32Å; L178-F208 HydrophobicContact CD2-CZ 4.08Å; Y188-F208 HydrophobicContact CD2-CD2 4.48Å; Y188-F208 HydrophobicContact CD2-CE2 4.06Å; Y188-F208 HydrophobicContact CG-CE2 4.05Å; Y188-F208 HydrophobicContact CG-CZ 4.36Å; Y188-F208 PolarHBondContact N-O 3.47Å; Y188-F208 PolarHBondContact O-N 3.36Å; V190-F208 HydrophobicContact CG1-CE1 4.1Å; V190-F208 HydrophobicContact CG1-CZ 4.33Å; V190-F208 HydrophobicContact CG2-CE1 3.84Å; F208-I213 HydrophobicContact CB-CB 4.09Å; F208-I213 HydrophobicContact CB-CD1 4.09Å; F208-I213 HydrophobicContact CD1-CD1 3.45Å; F208-I213 VanDerWaalsContact CD1-CD1 3.45Å; F208-I213 HydrophobicContact CD2-CB 3.77Å; F208-I213 HydrophobicContact CD2-CD1 3.69Å; F208-I213 HydrophobicContact CD2-CG1 4.33Å; F208-I213 HydrophobicContact CD2-CG2 3.79Å; F208-I213 HydrophobicContact CE1-CD1 3.65Å; F208-I213 HydrophobicContact CE2-CB 4.42Å; F208-I213 HydrophobicContact CE2-CD1 3.9Å; F208-I213 HydrophobicContact CE2-CG2 4.06Å; F208-I213 HydrophobicContact CG-CB 4Å; F208-I213 HydrophobicContact CG-CD1 3.46Å; F208-I213 VanDerWaalsContact CG-CD1 3.46Å; F208-I213 HydrophobicContact CG-CG1 4.27Å; F208-I213 HydrophobicContact CZ-CD1 3.88Å |
| 209 | Q | 92.6 | Very high | 93.8 | Very high | 68 Ų | 68 | 46.5 Ų | 46.5 | 32% | 0.318 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 141.4 | 167 | -165.3 | 175.6 | 26.4 | 0 | 0 | 109.2 | S185 F187 C211 G212 I213 | S185-Q209 PolarHBondContact O-NE2 3.32Å; F187-Q209 HydrophobicContact CD1-CB 4.28Å; F187-Q209 HydrophobicContact CE1-CB 4.06Å; F187-Q209 HydrophobicContact CE1-CG 4.42Å; F187-Q209 HydrophobicContact CZ-CG 4.44Å; Q209-C211 PolarHBondContact O-N 3.46Å; Q209-C211 VanDerWaalsContact O-N 3.14Å; Q209-G212 PolarHBondContact O-N 2.91Å; Q209-I213 PolarHBondContact O-N 2.89Å |
| 210 | G | 89.7 | Confident | 94.2 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -38 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R123 D184 S186 | R123-G210 PolarHBondContact NH1-O 2.89Å; D184-G210 CarbonylContact O-C 3.53Å; D184-G210 WeakPolarHBondContact O-CA 3.26Å; S186-G210 PolarHBondContact O-N 3Å |
| 211 | C | 85.8 | Confident | 94.5 | Very high | 31 Ų | 31 | 48.9 Ų | 48.9 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -8.5 | 176.1 | 62.1 | 0 | 0 | 0 | 0 | 115.3 | D184 Q209 Q300 | D184-C211 PolarHBondContact O-N 2.93Å; Q209-C211 PolarHBondContact O-N 3.46Å; Q209-C211 VanDerWaalsContact O-N 3.14Å; C211-Q300 WeakPolarHBondContact O-CG 3.27Å |
| 212 | G | 88.9 | Confident | 94.7 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -18.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q209 L214 | Q209-G212 PolarHBondContact O-N 2.91Å; G212-L214 PolarHBondContact O-N 3.05Å |
| 213 | I | 94.7 | Very high | 94.8 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | trans | -79.2 | -2.5 | -178 | -170 | 157.6 | 0 | 0 | 0 | 114.1 | C121 R123 V130 F208 Q209 Q215 | C121-I213 HydrophobicContact CB-CD1 3.81Å; R123-I213 HydrophobicContact CB-CG2 4.05Å; R123-I213 PolarHBondContact N-O 2.97Å; V130-I213 HydrophobicContact CG1-CD1 3.87Å; V130-I213 HydrophobicContact CG2-CG2 3.87Å; F208-I213 HydrophobicContact CB-CB 4.09Å; F208-I213 HydrophobicContact CB-CD1 4.09Å; F208-I213 HydrophobicContact CD1-CD1 3.45Å; F208-I213 VanDerWaalsContact CD1-CD1 3.45Å; F208-I213 HydrophobicContact CD2-CB 3.77Å; F208-I213 HydrophobicContact CD2-CD1 3.69Å; F208-I213 HydrophobicContact CD2-CG1 4.33Å; F208-I213 HydrophobicContact CD2-CG2 3.79Å; F208-I213 HydrophobicContact CE1-CD1 3.65Å; F208-I213 HydrophobicContact CE2-CB 4.42Å; F208-I213 HydrophobicContact CE2-CD1 3.9Å; F208-I213 HydrophobicContact CE2-CG2 4.06Å; F208-I213 HydrophobicContact CG-CB 4Å; F208-I213 HydrophobicContact CG-CD1 3.46Å; F208-I213 VanDerWaalsContact CG-CD1 3.46Å; F208-I213 HydrophobicContact CG-CG1 4.27Å; F208-I213 HydrophobicContact CZ-CD1 3.88Å; Q209-I213 PolarHBondContact O-N 2.89Å; I213-Q215 PolarHBondContact O-N 3.14Å | ||
| 214 | L | 94.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -63.1 | 122.6 | 179.8 | -177.7 | 67.5 | 0 | 0 | 0 | 109.9 | R123 S125 P126 G212 W244 E296 Q300 G301 E302 | R123-L214 HydrophobicContact CG-CD1 4.3Å; S125-L214 VanDerWaalsContact C-CD1 3.48Å; P126-L214 HydrophobicContact CG-CD1 4.28Å; P126-L214 HydrophobicContact CG-CD2 3.9Å; G212-L214 PolarHBondContact O-N 3.05Å; L214-W244 HydrophobicContact CD1-CZ3 4.25Å; L214-W244 HydrophobicContact CD2-CH2 4.35Å; L214-W244 HydrophobicContact CD2-CZ3 4.49Å; L214-E296 HydrophobicContact CD2-CB 3.8Å; L214-E296 HydrophobicContact CD2-CG 3.92Å; L214-Q300 HydrophobicContact CD2-CG 4.48Å; L214-G301 CarbonylContact O-C 3.55Å; L214-G301 VanDerWaalsContact O-CA 3.3Å; L214-G301 WeakPolarHBondContact O-CA 3.12Å; L214-E302 PolarHBondContact O-N 2.87Å |
| 215 | Q | 95.9 | Very high | 95 | Very high | 59 Ų | 59 | 41.5 Ų | 41.5 | 28% | 0.276 | 24% | 0.242 | S | C | . | . | trans | -144.7 | 103.2 | 174.1 | -167.9 | -179.4 | 2.2 | 0 | 0 | 108.6 | R123 K124 I213 E302 W303 | R123-Q215 CarbonylContact O-C 3.57Å; R123-Q215 PolarHBondContact O-N 3.3Å; K124-Q215 WeakPolarHBondContact CD-O 3.39Å; I213-Q215 PolarHBondContact O-N 3.14Å; Q215-E302 HydrophobicContact CB-CB 4.41Å; Q215-E302 HydrophobicContact CG-CB 4.13Å; Q215-W303 PolarHBondContact NE2-O 3.37Å; Q215-W303 VanDerWaalsContact NE2-O 3.14Å | ||
| 216 | P | 96.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 163.1 | 178.9 | -19 | 30.2 | 0 | 0 | 0 | 112.1 | W244 L251 S304 | P216-W244 HydrophobicContact CB-CE3 4.2Å; P216-W244 HydrophobicContact CB-CZ3 4.26Å; P216-W244 HydrophobicContact CG-CE3 4.26Å; P216-W244 HydrophobicContact CG-CZ3 3.81Å; P216-L251 HydrophobicContact CB-CD2 4.14Å; P216-L251 HydrophobicContact CG-CD2 3.74Å; P216-S304 WeakPolarHBondContact O-CB 3.5Å |
| 217 | D | 97.2 | Very high | 95.2 | Very high | 48 Ų | 48 | 39 Ų | 39 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -76.1 | 161.6 | 165 | -71.4 | -47.9 | 0 | 0 | 0 | 111.5 | K124 P241 S243 | K124-D217 WeakPolarHBondContact CE-OD1 3.15Å; K124-D217 IonicContact NZ-OD1 2.64Å; K124-D217 PolarHBondContact NZ-OD1 2.85Å; D217-P241 HydrophobicContact CB-CB 3.79Å; D217-P241 HydrophobicContact CB-CG 4.35Å; D217-S243 WeakPolarHBondContact CB-OG 3.06Å; D217-S243 WeakPolarHBondContact OD2-CB 3.45Å; D217-S243 PolarHBondContact OD2-OG 2.87Å |
| 218 | P | 98 | Very high | 95.2 | Very high | 40 Ų | 40 | 38.1 Ų | 38.1 | 26% | 0.26 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -60.3 | 147.2 | 176.8 | -22.1 | 33.4 | 0 | 0 | 0 | 112.3 | E305 | P218-E305 WeakPolarHBondContact CB-O 3.25Å; P218-E305 HydrophobicContact CG-CB 4.09Å; P218-E305 WeakPolarHBondContact CG-O 3.4Å |
| 219 | P | 97.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 142.6 | 175.7 | -27.2 | 35.6 | 0 | 0 | 0 | 113.1 | W238 F253 L292 A294 | P219-W238 HydrophobicContact CB-CB 4.47Å; P219-W238 HydrophobicContact CB-CG 4.48Å; P219-F253 HydrophobicContact CB-CD1 4.47Å; P219-F253 HydrophobicContact CB-CE1 4.31Å; P219-F253 HydrophobicContact CG-CD1 3.73Å; P219-F253 HydrophobicContact CG-CE1 3.85Å; P219-L292 HydrophobicContact CB-CB 4.29Å; P219-L292 HydrophobicContact CG-CB 3.9Å; P219-A294 HydrophobicContact CG-CB 4.06Å |
| 220 | A | 96.9 | Very high | 95.3 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 161.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I222 Q239 | A220-I222 PolarHBondContact O-N 2.86Å; A220-Q239 PolarHBondContact N-O 3.35Å; A220-Q239 PolarHBondContact O-N 2.02Å |
| 221 | N | 96.9 | Very high | 95.6 | Very high | 107 Ų | 107 | 48.8 Ų | 48.8 | 57% | 0.572 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.9 | 46 | 169.1 | -62.3 | -25.1 | 0 | 0 | 0 | 114.5 | T223 Q239 | N221-T223 PolarHBondContact O-N 2.94Å; N221-Q239 HydrophobicContact CB-CG 4.3Å; N221-Q239 PolarHBondContact ND2-OE1 2.84Å |
| 222 | I | 97.9 | Very high | 96.1 | Very high | 32 Ų | 32 | 52 Ų | 52 | 16% | 0.164 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 122.4 | -180 | -56.7 | 169.2 | 0 | 0 | 0 | 109.8 | A220 V236 T237 W238 L292 S307 A310 | A220-I222 PolarHBondContact O-N 2.86Å; I222-V236 HydrophobicContact CG2-CG1 4.1Å; I222-T237 CarbonylContact C-O 3.56Å; I222-T237 VanDerWaalsContact CA-O 3.29Å; I222-T237 WeakPolarHBondContact CA-O 3.47Å; I222-W238 HydrophobicContact CG1-CB 3.94Å; I222-L292 HydrophobicContact CD1-CB 4.2Å; I222-L292 HydrophobicContact CD1-CD1 3.76Å; I222-L292 HydrophobicContact CG1-CD1 4.08Å; I222-L292 HydrophobicContact CG2-CD1 3.77Å; I222-S307 WeakPolarHBondContact CD1-OG 3.04Å; I222-A310 HydrophobicContact CB-CB 4.09Å; I222-A310 HydrophobicContact CG2-CB 3.64Å |
| 223 | T | 97.6 | Very high | 96.5 | Very high | 63 Ų | 63 | 55 Ų | 55 | 39% | 0.387 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 141.5 | 174.1 | 80.5 | 0 | 0 | 0 | 0 | 110.6 | N221 V236 T237 | N221-T223 PolarHBondContact O-N 2.94Å; T223-V236 VanDerWaalsContact O-CA 3.27Å; T223-V236 WeakPolarHBondContact O-CA 3.36Å; T223-T237 PolarHBondContact N-O 3.02Å; T223-T237 PolarHBondContact O-N 2.98Å; T223-T237 PolarHBondContact OG1-OG1 2.99Å |
| 224 | V | 97.9 | Very high | 96.6 | Very high | 21 Ų | 21 | 54 Ų | 54 | 13% | 0.127 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 111.8 | 179.5 | -173.3 | 0 | 0 | 0 | 0 | 108 | L234 V236 V290 A310 | V224-L234 HydrophobicContact CG1-CB 4.17Å; V224-L234 HydrophobicContact CG1-CD1 4.06Å; V224-L234 HydrophobicContact CG1-CD2 4.07Å; V224-L234 HydrophobicContact CG1-CG 4.34Å; V224-V236 HydrophobicContact CG1-CG2 4.36Å; V224-V236 HydrophobicContact CG2-CG1 4.42Å; V224-V236 HydrophobicContact CG2-CG2 4.45Å; V224-V290 HydrophobicContact CG1-CG2 4.1Å; V224-V290 HydrophobicContact CG2-CB 3.9Å; V224-V290 HydrophobicContact CG2-CG1 4.48Å; V224-V290 HydrophobicContact CG2-CG2 3.81Å; V224-A310 HydrophobicContact CG2-CB 3.87Å |
| 225 | T | 97.4 | Very high | 96.8 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 144.4 | -171.4 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | L234 S235 | T225-L234 CarbonylContact O-C 3.58Å; T225-L234 WeakPolarHBondContact O-CA 3.15Å; T225-S235 PolarHBondContact N-O 2.92Å; T225-S235 PolarHBondContact O-N 3.34Å; T225-S235 WeakPolarHBondContact OG1-CB 3.45Å; T225-S235 PolarHBondContact OG1-O 2.71Å |
| 226 | A | 97.1 | Very high | 96.9 | Very high | 51 Ų | 51 | 52.4 Ų | 52.4 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 135.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | T313 W315 | A226-T313 WeakPolarHBondContact CB-O 3.35Å; A226-W315 HydrophobicContact CB-CB 4.2Å |
| 227 | V | 96.9 | Very high | 96.9 | Very high | 37 Ų | 37 | 54.9 Ų | 54.9 | 22% | 0.224 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 118.8 | 173.2 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | R229 N230 W233 V278 W315 | V227-R229 PolarHBondContact O-N 2.82Å; V227-N230 HydrophobicContact CB-CB 4.19Å; V227-N230 HydrophobicContact CG1-CB 4.26Å; V227-N230 PolarHBondContact O-N 3.06Å; V227-N230 VanDerWaalsContact O-N 3.07Å; V227-W233 HydrophobicContact CB-CB 3.87Å; V227-W233 HydrophobicContact CB-CE3 4.43Å; V227-W233 HydrophobicContact CG1-CE3 4.09Å; V227-W233 HydrophobicContact CG2-CB 3.94Å; V227-V278 HydrophobicContact CG2-CG1 4.49Å; V227-W315 VanDerWaalsContact O-CB 3.23Å; V227-W315 WeakPolarHBondContact O-CB 3.2Å |
| 228 | A | 94.4 | Very high | 96.9 | Very high | 64 Ų | 64 | 53 Ų | 53 | 53% | 0.529 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 140.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N230 | A228-N230 PolarHBondContact O-N 3.04Å; A228-N230 VanDerWaalsContact O-N 3.15Å; A228-N230 PolarHBondContact O-ND2 2.9Å |
| 229 | R | 93.4 | Very high | 96.9 | Very high | 210 Ų | 210 | 56.2 Ų | 56.2 | 79% | 0.792 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 9.7 | -177.3 | -56.1 | -176.7 | -72.3 | -118.1 | 0.8 | 115.4 | V227 | V227-R229 PolarHBondContact O-N 2.82Š|
| 230 | N | 95.9 | Very high | 96.8 | Very high | 46 Ų | 46 | 58.7 Ų | 58.7 | 25% | 0.246 | 31% | 0.314 | C | S | . | . | trans | -124.2 | 97.4 | -179.3 | -71.4 | -84.1 | 0 | 0 | 0 | 110.9 | V227 A228 R232 W233 | V227-N230 HydrophobicContact CB-CB 4.19Å; V227-N230 HydrophobicContact CG1-CB 4.26Å; V227-N230 PolarHBondContact O-N 3.06Å; V227-N230 VanDerWaalsContact O-N 3.07Å; A228-N230 PolarHBondContact O-N 3.04Å; A228-N230 VanDerWaalsContact O-N 3.15Å; A228-N230 PolarHBondContact O-ND2 2.9Å; N230-R232 PolarHBondContact O-N 2.83Å; N230-R232 VanDerWaalsContact O-N 3.15Å; N230-W233 HydrophobicContact CB-CB 3.64Å; N230-W233 HydrophobicContact CB-CD2 3.74Å; N230-W233 HydrophobicContact CB-CE3 4.1Å; N230-W233 HydrophobicContact CB-CG 3.57Å; N230-W233 PolarHBondContact O-N 2.62Å | ||
| 231 | P | 95.1 | Very high | 96.8 | Very high | 55 Ų | 55 | 57.6 Ų | 57.6 | 36% | 0.357 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -5.7 | -170.6 | 30.3 | -36.3 | 0 | 0 | 0 | 114.9 | S284 P314 W315 | P231-S284 VanDerWaalsContact O-CA 3.27Å; P231-S284 WeakPolarHBondContact O-CA 3.24Å; P231-S284 WeakPolarHBondContact O-CB 3.43Å; P231-P314 WeakPolarHBondContact O-CB 3.21Å; P231-W315 VanDerWaalsContact CA-O 3.29Å; P231-W315 WeakPolarHBondContact CA-O 3.4Å; P231-W315 HydrophobicContact CB-CE3 4.45Å |
| 232 | R | 96.3 | Very high | 96.7 | Very high | 98 Ų | 98 | 61.6 Ų | 61.6 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 4.2 | 178.6 | -58.4 | -69.1 | -65.2 | -166.6 | 11.6 | 112.5 | N230 H280 D281 A282 W283 | N230-R232 PolarHBondContact O-N 2.83Å; N230-R232 VanDerWaalsContact O-N 3.15Å; R232-H280 WeakPolarHBondContact CB-O 3.4Å; R232-H280 CarbonylContact O-C 3.25Å; R232-H280 VanDerWaalsContact O-C 3.25Å; R232-D281 PolarHBondContact NH2-O 3.43Å; R232-D281 PolarHBondContact O-N 2.98Å; R232-A282 VanDerWaalsContact CA-O 3.32Å; R232-A282 WeakPolarHBondContact CA-O 3.38Å; R232-A282 WeakPolarHBondContact CD-O 3.2Å; R232-A282 PolarHBondContact NE-O 2.78Å; R232-A282 PolarHBondContact NH2-O 2.89Å; R232-A282 WeakPolarHBondContact O-CB 3.26Å; R232-A282 PolarHBondContact O-N 2.79Å; R232-W283 VanDerWaalsContact NH2-CD1 3.3Å |
| 233 | W | 97.7 | Very high | 96.6 | Very high | 93 Ų | 93 | 61.6 Ų | 61.6 | 35% | 0.352 | 32% | 0.322 | S | S | . | . | trans | -108.6 | 134.9 | -169.1 | -66.8 | 17.2 | 0 | 0 | 0 | 112.6 | V227 N230 V278 I279 H280 | V227-W233 HydrophobicContact CB-CB 3.87Å; V227-W233 HydrophobicContact CB-CE3 4.43Å; V227-W233 HydrophobicContact CG1-CE3 4.09Å; V227-W233 HydrophobicContact CG2-CB 3.94Å; N230-W233 HydrophobicContact CB-CB 3.64Å; N230-W233 HydrophobicContact CB-CD2 3.74Å; N230-W233 HydrophobicContact CB-CE3 4.1Å; N230-W233 HydrophobicContact CB-CG 3.57Å; N230-W233 PolarHBondContact O-N 2.62Å; W233-V278 HydrophobicContact CB-CG1 4.32Å; W233-V278 HydrophobicContact CD2-CG1 4.35Å; W233-V278 HydrophobicContact CE3-CG1 4.04Å; W233-V278 HydrophobicContact CG-CG1 4.47Å; W233-I279 CarbonylContact C-O 3.53Å; W233-I279 WeakPolarHBondContact CA-O 3.26Å; W233-H280 AromaticContact CD1-ND1 3.93Å; W233-H280 AromaticContact CD2-ND1 3.46Å; W233-H280 AromaticContact CE2-ND1 3.22Å; W233-H280 AromaticContact CE3-ND1 3.88Å; W233-H280 AromaticContact CG-ND1 3.96Å; W233-H280 AromaticContact CH2-CE1 3.97Å; W233-H280 AromaticContact CH2-ND1 3.91Å; W233-H280 AromaticContact CZ2-CE1 3.99Å; W233-H280 AromaticContact CZ2-ND1 3.48Å; W233-H280 WeakPolarHBondContact CZ2-ND1 3.32Å; W233-H280 AromaticContact NE1-ND1 3.52Å | ||
| 234 | L | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 123.5 | 171.6 | -71 | 173.1 | 0 | 0 | 0 | 109.2 | V224 T225 V278 I279 A282 H288 P314 | V224-L234 HydrophobicContact CG1-CB 4.17Å; V224-L234 HydrophobicContact CG1-CD1 4.06Å; V224-L234 HydrophobicContact CG1-CD2 4.07Å; V224-L234 HydrophobicContact CG1-CG 4.34Å; T225-L234 CarbonylContact O-C 3.58Å; T225-L234 WeakPolarHBondContact O-CA 3.15Å; L234-V278 CarbonylContact O-C 3.56Å; L234-V278 WeakPolarHBondContact O-CA 3.41Å; L234-I279 HydrophobicContact CB-CB 4.25Å; L234-I279 HydrophobicContact CB-CD1 4.32Å; L234-I279 PolarHBondContact N-O 3.17Å; L234-I279 PolarHBondContact O-N 2.88Å; L234-A282 HydrophobicContact CD1-CB 3.86Å; L234-A282 HydrophobicContact CG-CB 4.12Å; L234-H288 HydrophobicContact CD1-CB 3.87Å; L234-P314 HydrophobicContact CD1-CG 4.24Å; L234-P314 HydrophobicContact CD2-CB 4.48Å; L234-P314 HydrophobicContact CD2-CG 4.19Å; L234-P314 HydrophobicContact CG-CG 4.05Å |
| 235 | S | 97.6 | Very high | 95.9 | Very high | 29 Ų | 29 | 63.6 Ų | 63.6 | 20% | 0.203 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 123.2 | 171.6 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | T225 | T225-S235 PolarHBondContact N-O 2.92Å; T225-S235 PolarHBondContact O-N 3.34Å; T225-S235 WeakPolarHBondContact OG1-CB 3.45Å; T225-S235 PolarHBondContact OG1-O 2.71Å |
| 236 | V | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 130 | -179.1 | -171.4 | 0 | 0 | 0 | 0 | 108.5 | I222 T223 V224 W238 L255 H276 C277 I279 V290 L292 | I222-V236 HydrophobicContact CG2-CG1 4.1Å; T223-V236 VanDerWaalsContact O-CA 3.27Å; T223-V236 WeakPolarHBondContact O-CA 3.36Å; V224-V236 HydrophobicContact CG1-CG2 4.36Å; V224-V236 HydrophobicContact CG2-CG1 4.42Å; V224-V236 HydrophobicContact CG2-CG2 4.45Å; V236-W238 HydrophobicContact CB-CZ3 4.29Å; V236-W238 HydrophobicContact CG1-CE3 4Å; V236-W238 HydrophobicContact CG1-CZ3 4.09Å; V236-W238 WeakPolarHBondContact O-CZ3 3.4Å; V236-L255 HydrophobicContact CB-CD1 4.22Å; V236-L255 HydrophobicContact CG1-CD1 3.99Å; V236-L255 HydrophobicContact CG2-CD1 4.3Å; V236-H276 CarbonylContact O-C 3.54Å; V236-H276 WeakPolarHBondContact O-CA 3.43Å; V236-C277 PolarHBondContact N-O 2.87Å; V236-C277 PolarHBondContact O-N 2.88Å; V236-I279 HydrophobicContact CG2-CD1 3.86Å; V236-I279 HydrophobicContact CG2-CG1 4.32Å; V236-V290 HydrophobicContact CG1-CG1 4.06Å; V236-V290 HydrophobicContact CG2-CG1 4.28Å; V236-L292 HydrophobicContact CG1-CD1 4.11Å |
| 237 | T | 97.9 | Very high | 94.8 | Very high | 53 Ų | 53 | 63.6 Ų | 63.6 | 33% | 0.325 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 152.8 | 174.7 | 67.8 | 0 | 0 | 0 | 0 | 110.2 | I222 T223 H275 H276 | I222-T237 CarbonylContact C-O 3.56Å; I222-T237 VanDerWaalsContact CA-O 3.29Å; I222-T237 WeakPolarHBondContact CA-O 3.47Å; T223-T237 PolarHBondContact N-O 3.02Å; T223-T237 PolarHBondContact O-N 2.98Å; T223-T237 PolarHBondContact OG1-OG1 2.99Å; T237-H275 WeakPolarHBondContact CA-O 3.31Å; T237-H276 HydrophobicContact CG2-CB 3.9Å |
| 238 | W | 97.5 | Very high | 94.4 | Very high | 8 Ų | 8 | 70 Ų | 70 | 3% | 0.03 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 179.1 | 179.8 | 59.5 | 94.3 | 0 | 0 | 0 | 110.7 | P219 I222 V236 F253 V270 Q274 H275 C277 L292 | P219-W238 HydrophobicContact CB-CB 4.47Å; P219-W238 HydrophobicContact CB-CG 4.48Å; I222-W238 HydrophobicContact CG1-CB 3.94Å; V236-W238 HydrophobicContact CB-CZ3 4.29Å; V236-W238 HydrophobicContact CG1-CE3 4Å; V236-W238 HydrophobicContact CG1-CZ3 4.09Å; V236-W238 WeakPolarHBondContact O-CZ3 3.4Å; W238-F253 AromaticContact CD1-CE1 3.9Å; W238-F253 AromaticContact CE2-CD2 3.98Å; W238-F253 AromaticContact CE2-CG 3.99Å; W238-F253 HydrophobicContact CZ2-CB 4.11Å; W238-F253 HydrophobicContact CZ2-CD2 4.02Å; W238-F253 HydrophobicContact CZ2-CG 4.12Å; W238-F253 AromaticContact NE1-CD1 3.53Å; W238-F253 AromaticContact NE1-CD2 3.33Å; W238-F253 VanDerWaalsContact NE1-CD2 3.33Å; W238-F253 AromaticContact NE1-CE1 3.61Å; W238-F253 AromaticContact NE1-CE2 3.43Å; W238-F253 AromaticContact NE1-CG 3.38Å; W238-F253 AromaticContact NE1-CZ 3.56Å; W238-V270 HydrophobicContact CH2-CB 4.38Å; W238-V270 HydrophobicContact CH2-CG1 3.87Å; W238-V270 HydrophobicContact CH2-CG2 3.68Å; W238-V270 HydrophobicContact CZ2-CB 4.26Å; W238-V270 HydrophobicContact CZ2-CG1 3.87Å; W238-V270 HydrophobicContact CZ2-CG2 3.78Å; W238-Q274 WeakPolarHBondContact CZ2-O 3.47Å; W238-H275 PolarHBondContact N-O 3.19Å; W238-C277 HydrophobicContact CH2-CB 4.15Å; W238-C277 HydrophobicContact CZ3-CB 4.4Å; W238-L292 HydrophobicContact CD2-CD2 3.36Å; W238-L292 VanDerWaalsContact CE2-CD2 3.43Å; W238-L292 HydrophobicContact CE3-CD1 4.26Å; W238-L292 HydrophobicContact CE3-CD2 3.5Å; W238-L292 HydrophobicContact CG-CD2 3.95Å; W238-L292 HydrophobicContact CH2-CD2 3.82Å; W238-L292 HydrophobicContact CZ2-CD2 3.65Å; W238-L292 HydrophobicContact CZ3-CD2 3.75Å |
| 239 | Q | 96.6 | Very high | 94.3 | Very high | 108 Ų | 108 | 69.5 Ų | 69.5 | 51% | 0.505 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 159.7 | 177.5 | -63.5 | 175.6 | 11.7 | 0 | 0 | 110.3 | A220 N221 | A220-Q239 PolarHBondContact N-O 3.35Å; A220-Q239 PolarHBondContact O-N 2.02Å; N221-Q239 HydrophobicContact CB-CG 4.3Å; N221-Q239 PolarHBondContact ND2-OE1 2.84Å |
| 240 | D | 96.5 | Very high | 94.4 | Very high | 59 Ų | 59 | 66.8 Ų | 66.8 | 32% | 0.316 | 33% | 0.328 | S | S | . | . | trans | -60.7 | 145.7 | 170.5 | -68.9 | -15 | 0 | 0 | 0 | 110.3 | L251 F253 H275 | D240-L251 HydrophobicContact CB-CD1 4.46Å; D240-F253 WeakPolarHBondContact OD1-CZ 3.49Å; D240-H275 IonicContact OD1-CD2 3.99Å; D240-H275 IonicContact OD1-CE1 2.69Å; D240-H275 IonicContact OD1-NE2 2.67Å; D240-H275 PolarHBondContact OD1-NE2 3.04Å; D240-H275 IonicContact OD2-NE2 3.07Å | ||
| 241 | P | 96.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 64.7 Ų | 64.7 | 4% | 0.039 | 32% | 0.317 | C | S | . | . | trans | -63 | 147.4 | 174.7 | 27.7 | -33.7 | 0 | 0 | 0 | 110.4 | D217 S243 W244 L251 | D217-P241 HydrophobicContact CB-CB 3.79Å; D217-P241 HydrophobicContact CB-CG 4.35Å; P241-S243 PolarHBondContact O-N 3.38Å; P241-S243 VanDerWaalsContact O-N 3.09Å; P241-W244 HydrophobicContact CG-CB 3.92Å; P241-W244 WeakPolarHBondContact O-CB 3.36Å; P241-W244 PolarHBondContact O-N 2.9Å; P241-L251 HydrophobicContact CG-CD1 4.2Å | ||
| 242 | H | 94.8 | Very high | 94.4 | Very high | 191 Ų | 191 | 65.6 Ų | 65.6 | 88% | 0.884 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.6 | -179 | -169 | 65.5 | 0 | 0 | 0 | 113.8 | W244 | H242-W244 VanDerWaalsContact C-N 3.25Å; H242-W244 PolarHBondContact O-N 3.36Å |
| 243 | S | 94.9 | Very high | 94.4 | Very high | 33 Ų | 33 | 61 Ų | 61 | 23% | 0.231 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -15.7 | 175.8 | 58.3 | 0 | 0 | 0 | 0 | 113.6 | D217 P241 N245 | D217-S243 WeakPolarHBondContact CB-OG 3.06Å; D217-S243 WeakPolarHBondContact OD2-CB 3.45Å; D217-S243 PolarHBondContact OD2-OG 2.87Å; P241-S243 PolarHBondContact O-N 3.38Å; P241-S243 VanDerWaalsContact O-N 3.09Å; S243-N245 PolarHBondContact O-N 2.62Å |
| 244 | W | 95.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 58 Ų | 58 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | trans | -85.4 | 88.1 | 174.5 | -163.9 | -95 | 0 | 0 | 0 | 110.9 | P126 L214 P216 P241 H242 Y249 L251 E296 | P126-W244 VanDerWaalsContact CD-CH2 3.41Å; P126-W244 HydrophobicContact CG-CH2 3.78Å; P126-W244 HydrophobicContact CG-CZ2 4.27Å; P126-W244 HydrophobicContact CG-CZ3 4.34Å; L214-W244 HydrophobicContact CD1-CZ3 4.25Å; L214-W244 HydrophobicContact CD2-CH2 4.35Å; L214-W244 HydrophobicContact CD2-CZ3 4.49Å; P216-W244 HydrophobicContact CB-CE3 4.2Å; P216-W244 HydrophobicContact CB-CZ3 4.26Å; P216-W244 HydrophobicContact CG-CE3 4.26Å; P216-W244 HydrophobicContact CG-CZ3 3.81Å; P241-W244 HydrophobicContact CG-CB 3.92Å; P241-W244 WeakPolarHBondContact O-CB 3.36Å; P241-W244 PolarHBondContact O-N 2.9Å; H242-W244 VanDerWaalsContact C-N 3.25Å; H242-W244 PolarHBondContact O-N 3.36Å; W244-Y249 PolarHBondContact NE1-O 3.38Å; W244-L251 HydrophobicContact CB-CD1 4.33Å; W244-L251 HydrophobicContact CD2-CD1 3.96Å; W244-L251 HydrophobicContact CD2-CD2 3.92Å; W244-L251 HydrophobicContact CD2-CG 3.92Å; W244-L251 HydrophobicContact CE3-CD1 4.38Å; W244-L251 HydrophobicContact CE3-CD2 3.85Å; W244-L251 HydrophobicContact CE3-CG 4.35Å; W244-L251 HydrophobicContact CG-CD1 3.94Å; W244-L251 HydrophobicContact CG-CG 4.29Å; W244-L251 HydrophobicContact CH2-CD2 3.61Å; W244-L251 HydrophobicContact CH2-CG 4.42Å; W244-L251 HydrophobicContact CZ2-CD2 3.68Å; W244-L251 HydrophobicContact CZ2-CG 4.01Å; W244-L251 HydrophobicContact CZ3-CD2 3.71Å; W244-E296 HydrophobicContact CH2-CB 4.15Å; W244-E296 HydrophobicContact CH2-CG 4.06Å | ||
| 245 | N | 87.1 | Confident | 94.4 | Very high | 110 Ų | 110 | 58 Ų | 58 | 59% | 0.588 | 29% | 0.286 | S | S | * | . | trans | -98 | 21.2 | -169.5 | 65.6 | -11.2 | 0 | 0 | 0 | 115.1 | S125 S243 | S125-N245 PolarHBondContact OG-OD1 2.73Å; S243-N245 PolarHBondContact O-N 2.62Å | ||
| 246 | S | 84.6 | Confident | 94.4 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | trans | -124.5 | 136.5 | -177.9 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | L127 F248 | L127-S246 WeakPolarHBondContact CD1-OG 3.05Å; S246-F248 PolarHBondContact OG-N 3.32Å | ||
| 247 | S | 85.8 | Confident | 94.4 | Very high | 107 Ų | 107 | 59.5 Ų | 59.5 | 75% | 0.748 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -91 | -10.2 | 170 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 248 | F | 89.9 | Confident | 94.4 | Very high | 171 Ų | 171 | 59 Ų | 59 | 75% | 0.75 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -78.7 | -28.2 | 179 | -62.7 | -70.2 | 0 | 0 | 0 | 112.8 | S246 | S246-F248 PolarHBondContact OG-N 3.32Š|
| 249 | Y | 91.4 | Very high | 94.4 | Very high | 53 Ų | 53 | 58.9 Ų | 58.9 | 21% | 0.208 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -114 | 133.3 | 178 | -60.1 | -89.5 | 0 | 0 | 0 | 109.4 | P126 L127 E182 W244 | P126-Y249 HydrophobicContact CB-CD1 4.24Å; P126-Y249 HydrophobicContact CB-CD2 3.78Å; P126-Y249 HydrophobicContact CB-CE1 4.14Å; P126-Y249 HydrophobicContact CB-CE2 3.67Å; P126-Y249 HydrophobicContact CB-CG 4.07Å; P126-Y249 HydrophobicContact CG-CD1 3.94Å; P126-Y249 HydrophobicContact CG-CD2 3.83Å; P126-Y249 HydrophobicContact CG-CE1 4.31Å; P126-Y249 HydrophobicContact CG-CE2 4.22Å; P126-Y249 HydrophobicContact CG-CG 3.68Å; L127-Y249 HydrophobicContact CG-CE2 4.49Å; E182-Y249 WeakPolarHBondContact OE1-CE2 3.11Å; E182-Y249 PolarHBondContact OE1-OH 2.86Å; E182-Y249 PolarHBondContact OE2-OH 2.85Å; W244-Y249 PolarHBondContact NE1-O 3.38Å |
| 250 | R | 94.4 | Very high | 94.3 | Very high | 153 Ų | 153 | 58.2 Ų | 58.2 | 58% | 0.577 | 28% | 0.276 | S | S | * | . | trans | -105.2 | 162.6 | 176.5 | -58.6 | -175.3 | 175.4 | -172.1 | 0 | 111.1 | L273 E297 | R250-L273 HydrophobicContact CB-CD1 4.03Å; R250-E297 WeakPolarHBondContact CA-OE1 3.36Å; R250-E297 HydrophobicContact CB-CB 4.35Å; R250-E297 VanDerWaalsContact CB-OE1 3.25Å; R250-E297 WeakPolarHBondContact CB-OE1 3.31Å; R250-E297 PolarHBondContact N-OE1 2.84Å; R250-E297 WeakPolarHBondContact O-CB 3.43Å; R250-E297 PolarHBondContact O-N 2.96Å | ||
| 251 | L | 95.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 139.1 | 173.7 | -67.6 | 172 | 0 | 0 | 0 | 109.8 | P216 D240 P241 W244 F253 A294 Q295 | P216-L251 HydrophobicContact CB-CD2 4.14Å; P216-L251 HydrophobicContact CG-CD2 3.74Å; D240-L251 HydrophobicContact CB-CD1 4.46Å; P241-L251 HydrophobicContact CG-CD1 4.2Å; W244-L251 HydrophobicContact CB-CD1 4.33Å; W244-L251 HydrophobicContact CD2-CD1 3.96Å; W244-L251 HydrophobicContact CD2-CD2 3.92Å; W244-L251 HydrophobicContact CD2-CG 3.92Å; W244-L251 HydrophobicContact CE3-CD1 4.38Å; W244-L251 HydrophobicContact CE3-CD2 3.85Å; W244-L251 HydrophobicContact CE3-CG 4.35Å; W244-L251 HydrophobicContact CG-CD1 3.94Å; W244-L251 HydrophobicContact CG-CG 4.29Å; W244-L251 HydrophobicContact CH2-CD2 3.61Å; W244-L251 HydrophobicContact CH2-CG 4.42Å; W244-L251 HydrophobicContact CZ2-CD2 3.68Å; W244-L251 HydrophobicContact CZ2-CG 4.01Å; W244-L251 HydrophobicContact CZ3-CD2 3.71Å; L251-F253 HydrophobicContact CB-CE1 3.94Å; L251-F253 HydrophobicContact CB-CE2 4.12Å; L251-F253 HydrophobicContact CB-CZ 3.58Å; L251-F253 HydrophobicContact CD1-CE1 4.35Å; L251-F253 HydrophobicContact CD1-CZ 4.36Å; L251-F253 WeakPolarHBondContact O-CE2 3.43Å; L251-A294 HydrophobicContact CB-CB 4.34Å; L251-A294 HydrophobicContact CD1-CB 4.04Å; L251-A294 HydrophobicContact CD2-CB 4.22Å; L251-A294 HydrophobicContact CG-CB 4.44Å; L251-Q295 CarbonylContact C-O 3.59Å; L251-Q295 VanDerWaalsContact CA-O 3.32Å; L251-Q295 WeakPolarHBondContact CA-O 3.35Å; L251-Q295 WeakPolarHBondContact CD2-O 3.49Å |
| 252 | R | 96.3 | Very high | 94.1 | Very high | 74 Ų | 74 | 64.9 Ų | 64.9 | 28% | 0.279 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 148.1 | 161.1 | 71.6 | -177.3 | -149.7 | 172.3 | 2.8 | 109 | M269 L273 A294 Q295 W303 | R252-M269 HydrophobicContact CG-CE 4.36Å; R252-L273 HydrophobicContact CB-CD2 3.68Å; R252-A294 WeakPolarHBondContact O-CA 3.42Å; R252-Q295 HydrophobicContact CG-CB 4.1Å; R252-Q295 WeakPolarHBondContact CG-O 3.42Å; R252-Q295 PolarHBondContact N-O 3.1Å; R252-Q295 VanDerWaalsContact NE-OE1 3.09Å; R252-Q295 PolarHBondContact O-N 2.57Å; R252-W303 HydrophobicContact CG-CH2 4.2Å; R252-W303 VanDerWaalsContact NH2-CZ2 3.34Å |
| 253 | F | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 142.6 | -174.7 | -56.4 | -79.8 | 0 | 0 | 0 | 111.8 | P219 W238 D240 L251 V270 H275 L292 R293 A294 | P219-F253 HydrophobicContact CB-CD1 4.47Å; P219-F253 HydrophobicContact CB-CE1 4.31Å; P219-F253 HydrophobicContact CG-CD1 3.73Å; P219-F253 HydrophobicContact CG-CE1 3.85Å; W238-F253 AromaticContact CD1-CE1 3.9Å; W238-F253 AromaticContact CE2-CD2 3.98Å; W238-F253 AromaticContact CE2-CG 3.99Å; W238-F253 HydrophobicContact CZ2-CB 4.11Å; W238-F253 HydrophobicContact CZ2-CD2 4.02Å; W238-F253 HydrophobicContact CZ2-CG 4.12Å; W238-F253 AromaticContact NE1-CD1 3.53Å; W238-F253 AromaticContact NE1-CD2 3.33Å; W238-F253 VanDerWaalsContact NE1-CD2 3.33Å; W238-F253 AromaticContact NE1-CE1 3.61Å; W238-F253 AromaticContact NE1-CE2 3.43Å; W238-F253 AromaticContact NE1-CG 3.38Å; W238-F253 AromaticContact NE1-CZ 3.56Å; D240-F253 WeakPolarHBondContact OD1-CZ 3.49Å; L251-F253 HydrophobicContact CB-CE1 3.94Å; L251-F253 HydrophobicContact CB-CE2 4.12Å; L251-F253 HydrophobicContact CB-CZ 3.58Å; L251-F253 HydrophobicContact CD1-CE1 4.35Å; L251-F253 HydrophobicContact CD1-CZ 4.36Å; L251-F253 WeakPolarHBondContact O-CE2 3.43Å; F253-V270 HydrophobicContact CB-CB 4.16Å; F253-V270 HydrophobicContact CB-CG2 3.92Å; F253-V270 PolarHBondContact O-N 2.86Å; F253-H275 AromaticContact CE2-NE2 3.89Å; F253-H275 AromaticContact CZ-NE2 3.88Å; F253-L292 HydrophobicContact CB-CD2 4.3Å; F253-R293 WeakPolarHBondContact CA-O 3.1Å; F253-A294 HydrophobicContact CD1-CB 3.84Å; F253-A294 HydrophobicContact CE1-CB 3.76Å |
| 254 | E | 97.7 | Very high | 94.1 | Very high | 31 Ų | 31 | 68.7 Ų | 68.7 | 15% | 0.145 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.9 | 166.3 | -166.9 | -174.9 | -120.9 | 0 | 0 | 108.3 | T267 M269 L292 R293 W303 W306 | E254-T267 VanDerWaalsContact CD-CG2 3.43Å; E254-T267 HydrophobicContact CG-CG2 3.56Å; E254-M269 HydrophobicContact CB-SD 3.88Å; E254-M269 HydrophobicContact CG-SD 3.95Å; E254-L292 VanDerWaalsContact O-CA 3.32Å; E254-L292 WeakPolarHBondContact O-CA 3.47Å; E254-R293 HydrophobicContact CB-CG 4.06Å; E254-R293 PolarHBondContact N-O 2.94Å; E254-R293 PolarHBondContact O-N 2.88Å; E254-R293 IonicContact OE1-NH2 3.75Å; E254-R293 IonicContact OE2-CZ 3.55Å; E254-R293 IonicContact OE2-NE 3.55Å; E254-R293 PolarHBondContact OE2-NE 1.99Å; E254-R293 IonicContact OE2-NH2 2.73Å; E254-R293 PolarHBondContact OE2-NH2 2.92Å; E254-W303 HydrophobicContact CB-CE3 4.43Å; E254-W303 HydrophobicContact CB-CH2 3.67Å; E254-W303 HydrophobicContact CB-CZ2 4.41Å; E254-W303 HydrophobicContact CB-CZ3 3.69Å; E254-W306 HydrophobicContact CB-CH2 4.48Å; E254-W306 HydrophobicContact CG-CH2 4.21Å; E254-W306 VanDerWaalsContact OE2-CH2 3.26Å; E254-W306 WeakPolarHBondContact OE2-CH2 3.39Å; E254-W306 WeakPolarHBondContact OE2-CZ2 3.18Å |
| 255 | L | 97.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 138.2 | 178.5 | 179.6 | 147.1 | 0 | 0 | 0 | 109.3 | V236 Y257 T267 W268 V270 C277 I279 V290 L292 | V236-L255 HydrophobicContact CB-CD1 4.22Å; V236-L255 HydrophobicContact CG1-CD1 3.99Å; V236-L255 HydrophobicContact CG2-CD1 4.3Å; L255-Y257 HydrophobicContact CD2-CD1 3.66Å; L255-Y257 HydrophobicContact CD2-CG 4.41Å; L255-T267 CarbonylContact O-C 3.59Å; L255-T267 WeakPolarHBondContact O-CA 3.09Å; L255-W268 PolarHBondContact N-O 2.86Å; L255-W268 PolarHBondContact O-N 2.8Å; L255-V270 HydrophobicContact CB-CG2 4.26Å; L255-C277 VanDerWaalsContact CD1-SG 3.56Å; L255-I279 HydrophobicContact CD2-CD1 4.4Å; L255-V290 HydrophobicContact CD1-CG1 3.82Å; L255-V290 HydrophobicContact CD2-CG1 4.38Å; L255-V290 HydrophobicContact CG-CG1 4.03Å; L255-L292 HydrophobicContact CB-CD2 4.3Å; L255-L292 HydrophobicContact CB-CG 4.11Å; L255-L292 HydrophobicContact CD1-CD1 4.01Å; L255-L292 HydrophobicContact CD1-CD2 4.24Å; L255-L292 HydrophobicContact CD1-CG 4.07Å; L255-L292 HydrophobicContact CG-CD1 4.46Å; L255-L292 HydrophobicContact CG-CG 4.2Å |
| 256 | R | 97.9 | Very high | 94.6 | Very high | 53 Ų | 53 | 68.4 Ų | 68.4 | 20% | 0.2 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 142.7 | 166.5 | 74.4 | -180 | -176 | -165.9 | -1.5 | 111.2 | F265 T266 T267 V290 Q291 W306 | R256-F265 HydrophobicContact CB-CB 4.19Å; R256-F265 HydrophobicContact CB-CD1 3.88Å; R256-F265 HydrophobicContact CB-CG 4.27Å; R256-F265 HydrophobicContact CG-CD1 3.55Å; R256-F265 HydrophobicContact CG-CE1 3.81Å; R256-F265 HydrophobicContact CG-CG 4.09Å; R256-T266 CarbonylContact C-O 3.59Å; R256-T266 VanDerWaalsContact CA-O 3.24Å; R256-T266 WeakPolarHBondContact CA-O 2.94Å; R256-T267 HydrophobicContact CB-CG2 4.32Å; R256-V290 WeakPolarHBondContact O-CA 3.37Å; R256-Q291 HydrophobicContact CG-CB 4.04Å; R256-Q291 VanDerWaalsContact CZ-OE1 3.23Å; R256-Q291 PolarHBondContact N-O 2.81Å; R256-Q291 PolarHBondContact O-N 3.28Å; R256-W306 HydrophobicContact CB-CH2 3.84Å; R256-W306 HydrophobicContact CB-CZ3 3.9Å; R256-W306 HydrophobicContact CG-CD2 4.42Å; R256-W306 HydrophobicContact CG-CE3 3.83Å; R256-W306 HydrophobicContact CG-CH2 3.73Å; R256-W306 HydrophobicContact CG-CZ2 4.33Å; R256-W306 HydrophobicContact CG-CZ3 3.45Å; R256-W306 VanDerWaalsContact CG-CZ3 3.45Å; R256-W306 VanDerWaalsContact CZ-CD2 3.49Å; R256-W306 VanDerWaalsContact NH1-CE2 3.3Å; R256-W306 VanDerWaalsContact NH1-NE1 3.16Å |
| 257 | Y | 97.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 70.9 Ų | 70.9 | 3% | 0.027 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 155.4 | 176 | 70 | -74.7 | 0 | 0 | 0 | 111.9 | L255 F265 T266 W268 I279 D281 V289 | L255-Y257 HydrophobicContact CD2-CD1 3.66Å; L255-Y257 HydrophobicContact CD2-CG 4.41Å; Y257-F265 WeakPolarHBondContact O-CA 3.04Å; Y257-T266 WeakPolarHBondContact CD1-O 3.44Å; Y257-T266 HydrophobicContact CE1-CG2 3.68Å; Y257-T266 PolarHBondContact N-O 3.06Å; Y257-T266 PolarHBondContact O-N 2.85Å; Y257-T266 WeakPolarHBondContact OH-CG2 3.23Å; Y257-W268 HydrophobicContact CE1-CD2 4.02Å; Y257-W268 AromaticContact CE1-CE2 3.89Å; Y257-W268 AromaticContact CE1-CE3 3.94Å; Y257-W268 HydrophobicContact CE1-CE3 3.94Å; Y257-W268 AromaticContact CE1-CH2 3.63Å; Y257-W268 HydrophobicContact CE1-CH2 3.63Å; Y257-W268 AromaticContact CE1-CZ2 3.71Å; Y257-W268 HydrophobicContact CE1-CZ2 3.71Å; Y257-W268 AromaticContact CE1-CZ3 3.75Å; Y257-W268 HydrophobicContact CE1-CZ3 3.75Å; Y257-W268 AromaticContact CZ-CH2 3.61Å; Y257-W268 AromaticContact CZ-CZ2 3.72Å; Y257-W268 WeakPolarHBondContact OH-CH2 3.32Å; Y257-W268 WeakPolarHBondContact OH-CZ2 3.39Å; Y257-I279 HydrophobicContact CD1-CD1 4.02Å; Y257-I279 HydrophobicContact CD1-CG1 4.28Å; Y257-I279 HydrophobicContact CD2-CD1 4.02Å; Y257-I279 HydrophobicContact CD2-CG2 3.92Å; Y257-I279 HydrophobicContact CE1-CG1 4.49Å; Y257-I279 HydrophobicContact CE1-CG2 4.2Å; Y257-I279 HydrophobicContact CE2-CG2 3.49Å; Y257-I279 VanDerWaalsContact CE2-CG2 3.49Å; Y257-I279 HydrophobicContact CG-CD1 3.7Å; Y257-I279 HydrophobicContact CG-CG1 4.38Å; Y257-I279 HydrophobicContact CG-CG2 4.44Å; Y257-D281 PolarHBondContact OH-OD1 2.92Å; Y257-D281 PolarHBondContact OH-OD2 3.14Å; Y257-V289 CarbonylContact C-O 3.6Å; Y257-V289 WeakPolarHBondContact CA-O 3.28Å; Y257-V289 WeakPolarHBondContact CB-O 3.22Å |
| 258 | R | 97.4 | Very high | 95.6 | Very high | 42 Ų | 42 | 70.4 Ų | 70.4 | 16% | 0.158 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 156.2 | 174.8 | 64.5 | -177.8 | 179.8 | 74.8 | 9.6 | 110.5 | E260 S262 T264 F265 H288 V289 E309 | R258-E260 PolarHBondContact NH1-O 3.09Å; R258-S262 WeakPolarHBondContact CD-O 3.33Å; R258-S262 PolarHBondContact NH1-O 3.29Å; R258-T264 WeakPolarHBondContact CB-O 3.21Å; R258-F265 HydrophobicContact CB-CD1 3.91Å; R258-F265 HydrophobicContact CB-CE1 4.23Å; R258-F265 HydrophobicContact CB-CG 4.3Å; R258-F265 VanDerWaalsContact CD-CZ 3.49Å; R258-F265 HydrophobicContact CG-CD1 3.8Å; R258-F265 HydrophobicContact CG-CE1 3.59Å; R258-F265 HydrophobicContact CG-CE2 4.47Å; R258-F265 HydrophobicContact CG-CG 4.34Å; R258-F265 HydrophobicContact CG-CZ 3.97Å; R258-F265 VanDerWaalsContact NE-CZ 3.26Å; R258-H288 CarbonylContact O-C 3.56Å; R258-H288 WeakPolarHBondContact O-CA 3.28Å; R258-H288 WeakPolarHBondContact O-CB 3.28Å; R258-V289 HydrophobicContact CG-CB 4.25Å; R258-V289 PolarHBondContact N-O 2.95Å; R258-V289 PolarHBondContact O-N 3.02Å; R258-E309 IonicContact NH2-OE2 2.85Å |
| 259 | A | 96.4 | Very high | 95.8 | Very high | 5 Ų | 5 | 66.3 Ų | 66.3 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 142.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | R261 S262 W283 | A259-R261 HydrophobicContact CB-CG 4.42Å; A259-R261 PolarHBondContact O-N 2.99Å; A259-R261 VanDerWaalsContact O-N 3.15Å; A259-S262 WeakPolarHBondContact O-CA 3.32Å; A259-S262 WeakPolarHBondContact O-CB 3.41Å; A259-S262 PolarHBondContact O-N 3.24Å; A259-W283 HydrophobicContact CB-CD2 4.26Å; A259-W283 HydrophobicContact CB-CE3 4.15Å |
| 260 | E | 96.1 | Very high | 96 | Very high | 94 Ų | 94 | 64.5 Ų | 64.5 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -38.1 | -176.5 | -174.6 | 179.1 | -109.5 | 0 | 0 | 112.4 | R258 S262 R287 | R258-E260 PolarHBondContact NH1-O 3.09Å; E260-S262 VanDerWaalsContact C-N 3.35Å; E260-R287 HydrophobicContact CB-CB 4.21Å; E260-R287 WeakPolarHBondContact CB-O 3.37Å; E260-R287 PolarHBondContact N-O 3.09Å; E260-R287 IonicContact OE1-NE 3.12Å; E260-R287 PolarHBondContact OE1-NE 3.45Å; E260-R287 VanDerWaalsContact OE1-NE 3.12Å; E260-R287 IonicContact OE2-NE 3.9Å |
| 261 | R | 93.8 | Very high | 95.7 | Very high | 179 Ų | 179 | 64.9 Ų | 64.9 | 68% | 0.675 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -16.6 | 175.9 | 69.6 | 179.9 | -176.4 | 179.8 | 3 | 115 | A259 W283 | A259-R261 HydrophobicContact CB-CG 4.42Å; A259-R261 PolarHBondContact O-N 2.99Å; A259-R261 VanDerWaalsContact O-N 3.15Å; R261-W283 VanDerWaalsContact NH2-CE3 3.3Å |
| 262 | S | 95.3 | Very high | 95.2 | Very high | 26 Ų | 26 | 71.2 Ų | 71.2 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | trans | -86.1 | 147.1 | 178.8 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | R258 A259 E260 T264 | R258-S262 WeakPolarHBondContact CD-O 3.33Å; R258-S262 PolarHBondContact NH1-O 3.29Å; A259-S262 WeakPolarHBondContact O-CA 3.32Å; A259-S262 WeakPolarHBondContact O-CB 3.41Å; A259-S262 PolarHBondContact O-N 3.24Å; E260-S262 VanDerWaalsContact C-N 3.35Å; S262-T264 PolarHBondContact OG-N 2.87Å; S262-T264 PolarHBondContact OG-OG1 2.88Å | ||
| 263 | K | 93.3 | Very high | 94.8 | Very high | 199 Ų | 199 | 70.1 Ų | 70.1 | 87% | 0.865 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -92.3 | -20.3 | 172 | -65.8 | -174.9 | 178.7 | -177.7 | 0 | 113 | ||
| 264 | T | 95.2 | Very high | 94.5 | Very high | 105 Ų | 105 | 73.7 Ų | 73.7 | 64% | 0.644 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -93.6 | 132.9 | -175.7 | 51.9 | 0 | 0 | 0 | 0 | 110.8 | R258 S262 | R258-T264 WeakPolarHBondContact CB-O 3.21Å; S262-T264 PolarHBondContact OG-N 2.87Å; S262-T264 PolarHBondContact OG-OG1 2.88Å |
| 265 | F | 97 | Very high | 94.4 | Very high | 63 Ų | 63 | 75.7 Ų | 75.7 | 28% | 0.276 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 141.6 | 172.4 | -78.7 | -83.4 | 0 | 0 | 0 | 111 | R256 Y257 R258 V289 | R256-F265 HydrophobicContact CB-CB 4.19Å; R256-F265 HydrophobicContact CB-CD1 3.88Å; R256-F265 HydrophobicContact CB-CG 4.27Å; R256-F265 HydrophobicContact CG-CD1 3.55Å; R256-F265 HydrophobicContact CG-CE1 3.81Å; R256-F265 HydrophobicContact CG-CG 4.09Å; Y257-F265 WeakPolarHBondContact O-CA 3.04Å; R258-F265 HydrophobicContact CB-CD1 3.91Å; R258-F265 HydrophobicContact CB-CE1 4.23Å; R258-F265 HydrophobicContact CB-CG 4.3Å; R258-F265 VanDerWaalsContact CD-CZ 3.49Å; R258-F265 HydrophobicContact CG-CD1 3.8Å; R258-F265 HydrophobicContact CG-CE1 3.59Å; R258-F265 HydrophobicContact CG-CE2 4.47Å; R258-F265 HydrophobicContact CG-CG 4.34Å; R258-F265 HydrophobicContact CG-CZ 3.97Å; R258-F265 VanDerWaalsContact NE-CZ 3.26Å; F265-V289 HydrophobicContact CE1-CG1 4.49Å |
| 266 | T | 96.8 | Very high | 94.3 | Very high | 58 Ų | 58 | 80.1 Ų | 80.1 | 36% | 0.356 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.2 | 159.6 | -56.4 | 0 | 0 | 0 | 0 | 107.8 | R256 Y257 W268 | R256-T266 CarbonylContact C-O 3.59Å; R256-T266 VanDerWaalsContact CA-O 3.24Å; R256-T266 WeakPolarHBondContact CA-O 2.94Å; Y257-T266 WeakPolarHBondContact CD1-O 3.44Å; Y257-T266 HydrophobicContact CE1-CG2 3.68Å; Y257-T266 PolarHBondContact N-O 3.06Å; Y257-T266 PolarHBondContact O-N 2.85Å; Y257-T266 WeakPolarHBondContact OH-CG2 3.23Å; T266-W268 HydrophobicContact CG2-CZ2 3.98Å; T266-W268 VanDerWaalsContact CG2-NE1 3.33Å |
| 267 | T | 96.9 | Very high | 94.2 | Very high | 64 Ų | 64 | 78.8 Ų | 78.8 | 39% | 0.393 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 133.2 | -174.4 | -54 | 0 | 0 | 0 | 0 | 110.7 | E254 L255 R256 W306 | E254-T267 VanDerWaalsContact CD-CG2 3.43Å; E254-T267 HydrophobicContact CG-CG2 3.56Å; L255-T267 CarbonylContact O-C 3.59Å; L255-T267 WeakPolarHBondContact O-CA 3.09Å; R256-T267 HydrophobicContact CB-CG2 4.32Å; T267-W306 HydrophobicContact CG2-CH2 4.43Å |
| 268 | W | 93.2 | Very high | 94.1 | Very high | 98 Ų | 98 | 80.6 Ų | 80.6 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.3 | 178.4 | -56.5 | -32.6 | 0 | 0 | 0 | 111.8 | L255 Y257 T266 I279 D281 | L255-W268 PolarHBondContact N-O 2.86Å; L255-W268 PolarHBondContact O-N 2.8Å; Y257-W268 HydrophobicContact CE1-CD2 4.02Å; Y257-W268 AromaticContact CE1-CE2 3.89Å; Y257-W268 AromaticContact CE1-CE3 3.94Å; Y257-W268 HydrophobicContact CE1-CE3 3.94Å; Y257-W268 AromaticContact CE1-CH2 3.63Å; Y257-W268 HydrophobicContact CE1-CH2 3.63Å; Y257-W268 AromaticContact CE1-CZ2 3.71Å; Y257-W268 HydrophobicContact CE1-CZ2 3.71Å; Y257-W268 AromaticContact CE1-CZ3 3.75Å; Y257-W268 HydrophobicContact CE1-CZ3 3.75Å; Y257-W268 AromaticContact CZ-CH2 3.61Å; Y257-W268 AromaticContact CZ-CZ2 3.72Å; Y257-W268 WeakPolarHBondContact OH-CH2 3.32Å; Y257-W268 WeakPolarHBondContact OH-CZ2 3.39Å; T266-W268 HydrophobicContact CG2-CZ2 3.98Å; T266-W268 VanDerWaalsContact CG2-NE1 3.33Å; W268-I279 HydrophobicContact CH2-CG2 4.19Å; W268-I279 HydrophobicContact CZ3-CB 4.38Å; W268-I279 HydrophobicContact CZ3-CG1 4.22Å; W268-I279 HydrophobicContact CZ3-CG2 4.27Å; W268-D281 WeakPolarHBondContact CH2-OD1 2.97Å |
| 269 | M | 95.4 | Very high | 94.1 | Very high | 84 Ų | 84 | 78.6 Ų | 78.6 | 41% | 0.414 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 131.4 | 166.4 | -73.1 | -65.4 | -60.9 | 0 | 0 | 109.9 | R252 E254 W303 | R252-M269 HydrophobicContact CG-CE 4.36Å; E254-M269 HydrophobicContact CB-SD 3.88Å; E254-M269 HydrophobicContact CG-SD 3.95Å; M269-W303 HydrophobicContact CE-CH2 3.81Å; M269-W303 HydrophobicContact CE-CZ2 4.23Å; M269-W303 HydrophobicContact SD-CH2 3.7Å; M269-W303 HydrophobicContact SD-CZ2 3.97Å |
| 270 | V | 93.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 83.1 Ų | 83.1 | 10% | 0.097 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 129.1 | 174 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | W238 F253 L255 Q274 | W238-V270 HydrophobicContact CH2-CB 4.38Å; W238-V270 HydrophobicContact CH2-CG1 3.87Å; W238-V270 HydrophobicContact CH2-CG2 3.68Å; W238-V270 HydrophobicContact CZ2-CB 4.26Å; W238-V270 HydrophobicContact CZ2-CG1 3.87Å; W238-V270 HydrophobicContact CZ2-CG2 3.78Å; F253-V270 HydrophobicContact CB-CB 4.16Å; F253-V270 HydrophobicContact CB-CG2 3.92Å; F253-V270 PolarHBondContact O-N 2.86Å; L255-V270 HydrophobicContact CB-CG2 4.26Å; V270-Q274 HydrophobicContact CG1-CB 4.24Å |
| 271 | K | 88.1 | Confident | 94.1 | Very high | 161 Ų | 161 | 81.9 Ų | 81.9 | 70% | 0.7 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -80 | 156.4 | -178.8 | -62.6 | -177.2 | -179.6 | -179.8 | 0 | 111 | L273 Q274 | K271-L273 PolarHBondContact O-N 2.96Å; K271-Q274 PolarHBondContact O-N 3.03Å |
| 272 | D | 86.4 | Confident | 94.2 | Very high | 136 Ų | 136 | 73.4 Ų | 73.4 | 73% | 0.727 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | 55.3 | 26.1 | 168.8 | -50.1 | -39.1 | 0 | 0 | 0 | 115.8 | Q274 | D272-Q274 HydrophobicContact CB-CG 4.18Å; D272-Q274 PolarHBondContact O-N 2.86Å; D272-Q274 VanDerWaalsContact O-N 3.16Å |
| 273 | L | 87.2 | Confident | 94.2 | Very high | 50 Ų | 50 | 77.4 Ų | 77.4 | 26% | 0.262 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | 53.3 | 34.8 | 179.3 | -51.5 | 174 | 0 | 0 | 0 | 112.8 | R250 R252 K271 E297 | R250-L273 HydrophobicContact CB-CD1 4.03Å; R252-L273 HydrophobicContact CB-CD2 3.68Å; K271-L273 PolarHBondContact O-N 2.96Å; L273-E297 HydrophobicContact CD1-CB 4.2Å; L273-E297 HydrophobicContact CD2-CB 4.14Å |
| 274 | Q | 91.7 | Very high | 94.3 | Very high | 76 Ų | 76 | 71 Ų | 71 | 36% | 0.355 | 36% | 0.357 | S | S | . | . | trans | -77.3 | 151.9 | -179 | -65.7 | -178.3 | -25.2 | 0 | 0 | 112.1 | W238 V270 K271 D272 H276 | W238-Q274 WeakPolarHBondContact CZ2-O 3.47Å; V270-Q274 HydrophobicContact CG1-CB 4.24Å; K271-Q274 PolarHBondContact O-N 3.03Å; D272-Q274 HydrophobicContact CB-CG 4.18Å; D272-Q274 PolarHBondContact O-N 2.86Å; D272-Q274 VanDerWaalsContact O-N 3.16Å; Q274-H276 VanDerWaalsContact C-N 3.34Å | ||
| 275 | H | 95.5 | Very high | 94.1 | Very high | 73 Ų | 73 | 67.8 Ų | 67.8 | 34% | 0.338 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -96.1 | 16 | 172.4 | -64.5 | 81.1 | 0 | 0 | 0 | 113.6 | T237 W238 D240 F253 | T237-H275 WeakPolarHBondContact CA-O 3.31Å; W238-H275 PolarHBondContact N-O 3.19Å; D240-H275 IonicContact OD1-CD2 3.99Å; D240-H275 IonicContact OD1-CE1 2.69Å; D240-H275 IonicContact OD1-NE2 2.67Å; D240-H275 PolarHBondContact OD1-NE2 3.04Å; D240-H275 IonicContact OD2-NE2 3.07Å; F253-H275 AromaticContact CE2-NE2 3.89Å; F253-H275 AromaticContact CZ-NE2 3.88Å |
| 276 | H | 95.8 | Very high | 94 | Very high | 93 Ų | 93 | 67.1 Ų | 67.1 | 43% | 0.431 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 154 | 176.4 | 71.3 | -71 | 0 | 0 | 0 | 110.7 | V236 T237 Q274 | V236-H276 CarbonylContact O-C 3.54Å; V236-H276 WeakPolarHBondContact O-CA 3.43Å; T237-H276 HydrophobicContact CG2-CB 3.9Å; Q274-H276 VanDerWaalsContact C-N 3.34Å |
| 277 | C | 95.3 | Very high | 94 | Very high | 25 Ų | 25 | 69.6 Ų | 69.6 | 17% | 0.169 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 166.4 | 168.6 | 71.4 | 0 | 0 | 0 | 0 | 111 | V236 W238 L255 | V236-C277 PolarHBondContact N-O 2.87Å; V236-C277 PolarHBondContact O-N 2.88Å; W238-C277 HydrophobicContact CH2-CB 4.15Å; W238-C277 HydrophobicContact CZ3-CB 4.4Å; L255-C277 VanDerWaalsContact CD1-SG 3.56Å |
| 278 | V | 96.3 | Very high | 94 | Very high | 46 Ų | 46 | 66.7 Ų | 66.7 | 28% | 0.279 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123 | 176.7 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | V227 W233 L234 H280 | V227-V278 HydrophobicContact CG2-CG1 4.49Å; W233-V278 HydrophobicContact CB-CG1 4.32Å; W233-V278 HydrophobicContact CD2-CG1 4.35Å; W233-V278 HydrophobicContact CE3-CG1 4.04Å; W233-V278 HydrophobicContact CG-CG1 4.47Å; L234-V278 CarbonylContact O-C 3.56Å; L234-V278 WeakPolarHBondContact O-CA 3.41Å; V278-H280 VanDerWaalsContact CG1-CE1 3.47Å; V278-H280 WeakPolarHBondContact CG1-CE1 2.89Å; V278-H280 PolarHBondContact O-CD2 2.73Å |
| 279 | I | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124.7 | 168.5 | -59.6 | 165.5 | 0 | 0 | 0 | 107 | W233 L234 V236 L255 Y257 W268 D281 A282 V290 | W233-I279 CarbonylContact C-O 3.53Å; W233-I279 WeakPolarHBondContact CA-O 3.26Å; L234-I279 HydrophobicContact CB-CB 4.25Å; L234-I279 HydrophobicContact CB-CD1 4.32Å; L234-I279 PolarHBondContact N-O 3.17Å; L234-I279 PolarHBondContact O-N 2.88Å; V236-I279 HydrophobicContact CG2-CD1 3.86Å; V236-I279 HydrophobicContact CG2-CG1 4.32Å; L255-I279 HydrophobicContact CD2-CD1 4.4Å; Y257-I279 HydrophobicContact CD1-CD1 4.02Å; Y257-I279 HydrophobicContact CD1-CG1 4.28Å; Y257-I279 HydrophobicContact CD2-CD1 4.02Å; Y257-I279 HydrophobicContact CD2-CG2 3.92Å; Y257-I279 HydrophobicContact CE1-CG1 4.49Å; Y257-I279 HydrophobicContact CE1-CG2 4.2Å; Y257-I279 HydrophobicContact CE2-CG2 3.49Å; Y257-I279 VanDerWaalsContact CE2-CG2 3.49Å; Y257-I279 HydrophobicContact CG-CD1 3.7Å; Y257-I279 HydrophobicContact CG-CG1 4.38Å; Y257-I279 HydrophobicContact CG-CG2 4.44Å; W268-I279 HydrophobicContact CH2-CG2 4.19Å; W268-I279 HydrophobicContact CZ3-CB 4.38Å; W268-I279 HydrophobicContact CZ3-CG1 4.22Å; W268-I279 HydrophobicContact CZ3-CG2 4.27Å; I279-D281 WeakPolarHBondContact CG2-OD1 3.43Å; I279-A282 HydrophobicContact CG2-CB 4.03Å; I279-V290 HydrophobicContact CD1-CG2 4.17Å |
| 280 | H | 96.1 | Very high | 94.4 | Very high | 100 Ų | 100 | 58.1 Ų | 58.1 | 46% | 0.463 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -102.7 | -8.9 | -174.5 | -66.6 | -67.2 | 0 | 0 | 0 | 114.7 | R232 W233 V278 | R232-H280 WeakPolarHBondContact CB-O 3.4Å; R232-H280 CarbonylContact O-C 3.25Å; R232-H280 VanDerWaalsContact O-C 3.25Å; W233-H280 AromaticContact CD1-ND1 3.93Å; W233-H280 AromaticContact CD2-ND1 3.46Å; W233-H280 AromaticContact CE2-ND1 3.22Å; W233-H280 AromaticContact CE3-ND1 3.88Å; W233-H280 AromaticContact CG-ND1 3.96Å; W233-H280 AromaticContact CH2-CE1 3.97Å; W233-H280 AromaticContact CH2-ND1 3.91Å; W233-H280 AromaticContact CZ2-CE1 3.99Å; W233-H280 AromaticContact CZ2-ND1 3.48Å; W233-H280 WeakPolarHBondContact CZ2-ND1 3.32Å; W233-H280 AromaticContact NE1-ND1 3.52Å; V278-H280 VanDerWaalsContact CG1-CE1 3.47Å; V278-H280 WeakPolarHBondContact CG1-CE1 2.89Å; V278-H280 PolarHBondContact O-CD2 2.73Å |
| 281 | D | 96 | Very high | 94.6 | Very high | 68 Ų | 68 | 58 Ų | 58 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -125.3 | 19.4 | -170.5 | 67.7 | -15.5 | 0 | 0 | 0 | 113.3 | R232 Y257 W268 I279 | R232-D281 PolarHBondContact NH2-O 3.43Å; R232-D281 PolarHBondContact O-N 2.98Å; Y257-D281 PolarHBondContact OH-OD1 2.92Å; Y257-D281 PolarHBondContact OH-OD2 3.14Å; W268-D281 WeakPolarHBondContact CH2-OD1 2.97Å; I279-D281 WeakPolarHBondContact CG2-OD1 3.43Å |
| 282 | A | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 141.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R232 L234 I279 S284 P314 | R232-A282 VanDerWaalsContact CA-O 3.32Å; R232-A282 WeakPolarHBondContact CA-O 3.38Å; R232-A282 WeakPolarHBondContact CD-O 3.2Å; R232-A282 PolarHBondContact NE-O 2.78Å; R232-A282 PolarHBondContact NH2-O 2.89Å; R232-A282 WeakPolarHBondContact O-CB 3.26Å; R232-A282 PolarHBondContact O-N 2.79Å; L234-A282 HydrophobicContact CD1-CB 3.86Å; L234-A282 HydrophobicContact CG-CB 4.12Å; I279-A282 HydrophobicContact CG2-CB 4.03Å; A282-S284 PolarHBondContact O-N 3.49Å; A282-P314 HydrophobicContact CB-CG 3.77Å |
| 283 | W | 95.1 | Very high | 95.6 | Very high | 111 Ų | 111 | 46.6 Ų | 46.6 | 42% | 0.42 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -67.5 | 120.2 | -175.7 | -64.9 | 17.8 | 0 | 0 | 0 | 112 | R232 A259 R261 G285 L286 H288 | R232-W283 VanDerWaalsContact NH2-CD1 3.3Å; A259-W283 HydrophobicContact CB-CD2 4.26Å; A259-W283 HydrophobicContact CB-CE3 4.15Å; R261-W283 VanDerWaalsContact NH2-CE3 3.3Å; W283-G285 PolarHBondContact O-N 2.86Å; W283-L286 HydrophobicContact CB-CB 4.26Å; W283-L286 HydrophobicContact CB-CD1 3.78Å; W283-L286 HydrophobicContact CB-CG 4.32Å; W283-L286 HydrophobicContact CD2-CD1 4.33Å; W283-L286 HydrophobicContact CE3-CD1 3.58Å; W283-L286 HydrophobicContact CG-CD1 4.47Å; W283-L286 PolarHBondContact O-N 3.1Å; W283-L286 VanDerWaalsContact O-N 3.15Å; W283-H288 PolarHBondContact N-CE1 3.15Å; W283-H288 PolarHBondContact N-NE2 2.82Å; W283-H288 PolarHBondContact O-CE1 2.86Å; W283-H288 VanDerWaalsContact O-CE1 3.25Å |
| 284 | S | 94.6 | Very high | 96.1 | Very high | 63 Ų | 63 | 44.2 Ų | 44.2 | 44% | 0.441 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 133.3 | -176.5 | -178.5 | 0 | 0 | 0 | 0 | 112 | P231 A282 L286 | P231-S284 VanDerWaalsContact O-CA 3.27Å; P231-S284 WeakPolarHBondContact O-CA 3.24Å; P231-S284 WeakPolarHBondContact O-CB 3.43Å; A282-S284 PolarHBondContact O-N 3.49Å; S284-L286 PolarHBondContact O-N 3.2Å |
| 285 | G | 91.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 40% | 0.402 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 2.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | W283 | W283-G285 PolarHBondContact O-N 2.86Š|
| 286 | L | 94.6 | Very high | 96.2 | Very high | 48 Ų | 48 | 37.8 Ų | 37.8 | 25% | 0.251 | 19% | 0.191 | S | C | . | . | trans | -106.3 | 144.9 | 179.9 | -61.4 | -178.5 | 0 | 0 | 0 | 112.1 | W283 S284 H288 P314 | W283-L286 HydrophobicContact CB-CB 4.26Å; W283-L286 HydrophobicContact CB-CD1 3.78Å; W283-L286 HydrophobicContact CB-CG 4.32Å; W283-L286 HydrophobicContact CD2-CD1 4.33Å; W283-L286 HydrophobicContact CE3-CD1 3.58Å; W283-L286 HydrophobicContact CG-CD1 4.47Å; W283-L286 PolarHBondContact O-N 3.1Å; W283-L286 VanDerWaalsContact O-N 3.15Å; S284-L286 PolarHBondContact O-N 3.2Å; L286-H288 PolarHBondContact O-CE1 3.32Å; L286-H288 VanDerWaalsContact O-CE1 3.31Å; L286-H288 PolarHBondContact O-ND1 2.92Å; L286-P314 WeakPolarHBondContact O-CD 3.48Å | ||
| 287 | R | 96.9 | Very high | 96.2 | Very high | 111 Ų | 111 | 35.6 Ų | 35.6 | 42% | 0.419 | 18% | 0.181 | S | C | . | . | trans | -67.5 | 135.5 | 169.8 | -69.5 | 170.4 | 66.4 | 88.9 | 0 | 109.8 | E260 M311 T313 | E260-R287 HydrophobicContact CB-CB 4.21Å; E260-R287 WeakPolarHBondContact CB-O 3.37Å; E260-R287 PolarHBondContact N-O 3.09Å; E260-R287 IonicContact OE1-NE 3.12Å; E260-R287 PolarHBondContact OE1-NE 3.45Å; E260-R287 VanDerWaalsContact OE1-NE 3.12Å; E260-R287 IonicContact OE2-NE 3.9Å; R287-M311 PolarHBondContact NH2-SD 2.84Å; R287-T313 WeakPolarHBondContact CG-OG1 3.29Å | ||
| 288 | H | 97.6 | Very high | 96 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 144 | 176 | -70 | 65.4 | 0 | 0 | 0 | 109.7 | L234 R258 W283 L286 M311 G312 | L234-H288 HydrophobicContact CD1-CB 3.87Å; R258-H288 CarbonylContact O-C 3.56Å; R258-H288 WeakPolarHBondContact O-CA 3.28Å; R258-H288 WeakPolarHBondContact O-CB 3.28Å; W283-H288 PolarHBondContact N-CE1 3.15Å; W283-H288 PolarHBondContact N-NE2 2.82Å; W283-H288 PolarHBondContact O-CE1 2.86Å; W283-H288 VanDerWaalsContact O-CE1 3.25Å; L286-H288 PolarHBondContact O-CE1 3.32Å; L286-H288 VanDerWaalsContact O-CE1 3.31Å; L286-H288 PolarHBondContact O-ND1 2.92Å; H288-M311 VanDerWaalsContact O-CA 3.25Å; H288-M311 WeakPolarHBondContact O-CA 3.16Å; H288-G312 PolarHBondContact N-O 2.04Å; H288-G312 PolarHBondContact O-N 2.98Å |
| 289 | V | 97.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134.1 | 169.8 | 174.7 | 0 | 0 | 0 | 0 | 107.7 | Y257 R258 F265 E309 A310 M311 | Y257-V289 CarbonylContact C-O 3.6Å; Y257-V289 WeakPolarHBondContact CA-O 3.28Å; Y257-V289 WeakPolarHBondContact CB-O 3.22Å; R258-V289 HydrophobicContact CG-CB 4.25Å; R258-V289 PolarHBondContact N-O 2.95Å; R258-V289 PolarHBondContact O-N 3.02Å; F265-V289 HydrophobicContact CE1-CG1 4.49Å; V289-E309 HydrophobicContact CG1-CB 3.78Å; V289-E309 HydrophobicContact CG1-CG 3.68Å; V289-E309 WeakPolarHBondContact CG1-OE2 3.32Å; V289-A310 CarbonylContact C-O 3.56Å; V289-A310 WeakPolarHBondContact CA-O 3.5Å; V289-M311 HydrophobicContact CG2-CG 4.2Å |
| 290 | V | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 136.9 | 179.6 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | V224 V236 L255 R256 I279 L292 A310 | V224-V290 HydrophobicContact CG1-CG2 4.1Å; V224-V290 HydrophobicContact CG2-CB 3.9Å; V224-V290 HydrophobicContact CG2-CG1 4.48Å; V224-V290 HydrophobicContact CG2-CG2 3.81Å; V236-V290 HydrophobicContact CG1-CG1 4.06Å; V236-V290 HydrophobicContact CG2-CG1 4.28Å; L255-V290 HydrophobicContact CD1-CG1 3.82Å; L255-V290 HydrophobicContact CD2-CG1 4.38Å; L255-V290 HydrophobicContact CG-CG1 4.03Å; R256-V290 WeakPolarHBondContact O-CA 3.37Å; I279-V290 HydrophobicContact CD1-CG2 4.17Å; V290-L292 HydrophobicContact CG1-CD1 4.22Å; V290-A310 PolarHBondContact N-O 3.48Å; V290-A310 PolarHBondContact O-N 2.82Å |
| 291 | Q | 98.1 | Very high | 95.1 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 151.2 | 172.3 | -66.6 | 177.8 | -72.2 | 0 | 0 | 109.6 | R256 W306 S307 E309 | R256-Q291 HydrophobicContact CG-CB 4.04Å; R256-Q291 VanDerWaalsContact CZ-OE1 3.23Å; R256-Q291 PolarHBondContact N-O 2.81Å; R256-Q291 PolarHBondContact O-N 3.28Å; Q291-W306 HydrophobicContact CB-CE3 3.79Å; Q291-W306 HydrophobicContact CB-CZ3 4.5Å; Q291-S307 WeakPolarHBondContact CA-OG 3.29Å; Q291-S307 PolarHBondContact NE2-O 3.04Å; Q291-E309 HydrophobicContact CG-CG 4.04Å |
| 292 | L | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 154.7 | 173.2 | -71.6 | 96.5 | 0 | 0 | 0 | 110.8 | P219 I222 V236 W238 F253 E254 L255 V290 S307 | P219-L292 HydrophobicContact CB-CB 4.29Å; P219-L292 HydrophobicContact CG-CB 3.9Å; I222-L292 HydrophobicContact CD1-CB 4.2Å; I222-L292 HydrophobicContact CD1-CD1 3.76Å; I222-L292 HydrophobicContact CG1-CD1 4.08Å; I222-L292 HydrophobicContact CG2-CD1 3.77Å; V236-L292 HydrophobicContact CG1-CD1 4.11Å; W238-L292 HydrophobicContact CD2-CD2 3.36Å; W238-L292 VanDerWaalsContact CE2-CD2 3.43Å; W238-L292 HydrophobicContact CE3-CD1 4.26Å; W238-L292 HydrophobicContact CE3-CD2 3.5Å; W238-L292 HydrophobicContact CG-CD2 3.95Å; W238-L292 HydrophobicContact CH2-CD2 3.82Å; W238-L292 HydrophobicContact CZ2-CD2 3.65Å; W238-L292 HydrophobicContact CZ3-CD2 3.75Å; F253-L292 HydrophobicContact CB-CD2 4.3Å; E254-L292 VanDerWaalsContact O-CA 3.32Å; E254-L292 WeakPolarHBondContact O-CA 3.47Å; L255-L292 HydrophobicContact CB-CD2 4.3Å; L255-L292 HydrophobicContact CB-CG 4.11Å; L255-L292 HydrophobicContact CD1-CD1 4.01Å; L255-L292 HydrophobicContact CD1-CD2 4.24Å; L255-L292 HydrophobicContact CD1-CG 4.07Å; L255-L292 HydrophobicContact CG-CD1 4.46Å; L255-L292 HydrophobicContact CG-CG 4.2Å; V290-L292 HydrophobicContact CG1-CD1 4.22Å; L292-S307 PolarHBondContact N-OG 3.34Å; L292-S307 VanDerWaalsContact O-CB 3.31Å; L292-S307 WeakPolarHBondContact O-CB 3.41Å; L292-S307 PolarHBondContact O-N 2.85Å; L292-S307 PolarHBondContact O-OG 2.64Å |
| 293 | R | 98.2 | Very high | 95.1 | Very high | 56 Ų | 56 | 45 Ų | 45 | 21% | 0.211 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 160.4 | 164.5 | 60.4 | 177.2 | -176.5 | 162.1 | 2.4 | 109.9 | F253 E254 W303 S304 W306 | F253-R293 WeakPolarHBondContact CA-O 3.1Å; E254-R293 HydrophobicContact CB-CG 4.06Å; E254-R293 PolarHBondContact N-O 2.94Å; E254-R293 PolarHBondContact O-N 2.88Å; E254-R293 IonicContact OE1-NH2 3.75Å; E254-R293 IonicContact OE2-CZ 3.55Å; E254-R293 IonicContact OE2-NE 3.55Å; E254-R293 PolarHBondContact OE2-NE 1.99Å; E254-R293 IonicContact OE2-NH2 2.73Å; E254-R293 PolarHBondContact OE2-NH2 2.92Å; R293-W303 HydrophobicContact CB-CE3 4.37Å; R293-W303 HydrophobicContact CG-CD2 4.4Å; R293-W303 HydrophobicContact CG-CE3 3.65Å; R293-W303 HydrophobicContact CG-CZ3 4.14Å; R293-S304 WeakPolarHBondContact CB-O 3.04Å; R293-W306 HydrophobicContact CB-CD2 4.3Å; R293-W306 HydrophobicContact CB-CE3 4.13Å; R293-W306 HydrophobicContact CB-CZ3 4.41Å; R293-W306 HydrophobicContact CG-CD2 4.15Å; R293-W306 HydrophobicContact CG-CE3 3.98Å; R293-W306 HydrophobicContact CG-CH2 3.86Å; R293-W306 HydrophobicContact CG-CZ2 4.03Å; R293-W306 HydrophobicContact CG-CZ3 3.83Å; R293-W306 VanDerWaalsContact NE-CZ2 3.32Å |
| 294 | A | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 150.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P219 L251 R252 F253 S304 | P219-A294 HydrophobicContact CG-CB 4.06Å; L251-A294 HydrophobicContact CB-CB 4.34Å; L251-A294 HydrophobicContact CD1-CB 4.04Å; L251-A294 HydrophobicContact CD2-CB 4.22Å; L251-A294 HydrophobicContact CG-CB 4.44Å; R252-A294 WeakPolarHBondContact O-CA 3.42Å; F253-A294 HydrophobicContact CD1-CB 3.84Å; F253-A294 HydrophobicContact CE1-CB 3.76Å; A294-S304 PolarHBondContact N-OG 2.89Å; A294-S304 PolarHBondContact O-N 2.93Å; A294-S304 PolarHBondContact O-OG 3.34Å |
| 295 | Q | 96.3 | Very high | 95.4 | Very high | 13 Ų | 13 | 43 Ų | 43 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 157.9 | 167.3 | -171.9 | 177.1 | 38 | 0 | 0 | 107.6 | L251 R252 G301 W303 | L251-Q295 CarbonylContact C-O 3.59Å; L251-Q295 VanDerWaalsContact CA-O 3.32Å; L251-Q295 WeakPolarHBondContact CA-O 3.35Å; L251-Q295 WeakPolarHBondContact CD2-O 3.49Å; R252-Q295 HydrophobicContact CG-CB 4.1Å; R252-Q295 WeakPolarHBondContact CG-O 3.42Å; R252-Q295 PolarHBondContact N-O 3.1Å; R252-Q295 VanDerWaalsContact NE-OE1 3.09Å; R252-Q295 PolarHBondContact O-N 2.57Å; Q295-G301 PolarHBondContact NE2-O 3.25Å; Q295-W303 HydrophobicContact CB-CD2 3.7Å; Q295-W303 HydrophobicContact CB-CE3 3.56Å; Q295-W303 HydrophobicContact CB-CG 4.3Å; Q295-W303 HydrophobicContact CB-CH2 4.13Å; Q295-W303 HydrophobicContact CB-CZ2 4.26Å; Q295-W303 HydrophobicContact CB-CZ3 3.78Å; Q295-W303 HydrophobicContact CG-CD2 4.42Å; Q295-W303 VanDerWaalsContact OE1-CE2 3.23Å |
| 296 | E | 94.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 144.9 | 170.4 | -169.3 | -75.3 | 147.2 | 0 | 0 | 110.9 | L214 W244 F298 G299 Q300 | L214-E296 HydrophobicContact CD2-CB 3.8Å; L214-E296 HydrophobicContact CD2-CG 3.92Å; W244-E296 HydrophobicContact CH2-CB 4.15Å; W244-E296 HydrophobicContact CH2-CG 4.06Å; E296-F298 VanDerWaalsContact C-N 3.3Å; E296-F298 PolarHBondContact O-N 2.55Å; E296-F298 WeakPolarHBondContact OE1-CD2 3.27Å; E296-F298 PolarHBondContact OE1-N 2.85Å; E296-F298 WeakPolarHBondContact OE2-CA 3.48Å; E296-F298 WeakPolarHBondContact OE2-CB 3.5Å; E296-F298 PolarHBondContact OE2-N 3.48Å; E296-G299 PolarHBondContact O-N 2.85Å; E296-G299 PolarHBondContact OE2-N 2.73Å; E296-Q300 HydrophobicContact CB-CB 4.28Å; E296-Q300 HydrophobicContact CG-CB 4.2Å; E296-Q300 VanDerWaalsContact OE2-CB 3.29Å; E296-Q300 WeakPolarHBondContact OE2-CB 3.27Å; E296-Q300 PolarHBondContact OE2-N 3.09Å; E296-Q300 VanDerWaalsContact OE2-N 3.07Å |
| 297 | E | 94 | Very high | 95.8 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 22% | 0.22 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -34.7 | -168.9 | 62.2 | -179.8 | 104.9 | 0 | 0 | 114.6 | R250 L273 G299 | R250-E297 WeakPolarHBondContact CA-OE1 3.36Å; R250-E297 HydrophobicContact CB-CB 4.35Å; R250-E297 VanDerWaalsContact CB-OE1 3.25Å; R250-E297 WeakPolarHBondContact CB-OE1 3.31Å; R250-E297 PolarHBondContact N-OE1 2.84Å; R250-E297 WeakPolarHBondContact O-CB 3.43Å; R250-E297 PolarHBondContact O-N 2.96Å; L273-E297 HydrophobicContact CD1-CB 4.2Å; L273-E297 HydrophobicContact CD2-CB 4.14Å; E297-G299 VanDerWaalsContact C-N 3.28Å |
| 298 | F | 91.6 | Very high | 95.9 | Very high | 166 Ų | 166 | 41.4 Ų | 41.4 | 73% | 0.728 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 5.1 | 177.3 | -57.7 | -63.8 | 0 | 0 | 0 | 113.1 | E296 Q300 | E296-F298 VanDerWaalsContact C-N 3.3Å; E296-F298 PolarHBondContact O-N 2.55Å; E296-F298 WeakPolarHBondContact OE1-CD2 3.27Å; E296-F298 PolarHBondContact OE1-N 2.85Å; E296-F298 WeakPolarHBondContact OE2-CA 3.48Å; E296-F298 WeakPolarHBondContact OE2-CB 3.5Å; E296-F298 PolarHBondContact OE2-N 3.48Å; F298-Q300 VanDerWaalsContact C-N 3.34Å |
| 299 | G | 90.5 | Very high | 95.9 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 31% | 0.309 | 23% | 0.23 | S | C | . | . | trans | 75.6 | 24 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | E296 E297 | E296-G299 PolarHBondContact O-N 2.85Å; E296-G299 PolarHBondContact OE2-N 2.73Å; E297-G299 VanDerWaalsContact C-N 3.28Å | ||
| 300 | Q | 89.9 | Confident | 95.8 | Very high | 63 Ų | 63 | 46.9 Ų | 46.9 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | trans | -73.3 | 133.7 | 174.8 | -173.5 | 174.1 | 53.5 | 0 | 0 | 111.2 | C211 L214 E296 F298 | C211-Q300 WeakPolarHBondContact O-CG 3.27Å; L214-Q300 HydrophobicContact CD2-CG 4.48Å; E296-Q300 HydrophobicContact CB-CB 4.28Å; E296-Q300 HydrophobicContact CG-CB 4.2Å; E296-Q300 VanDerWaalsContact OE2-CB 3.29Å; E296-Q300 WeakPolarHBondContact OE2-CB 3.27Å; E296-Q300 PolarHBondContact OE2-N 3.09Å; E296-Q300 VanDerWaalsContact OE2-N 3.07Å; F298-Q300 VanDerWaalsContact C-N 3.34Å | ||
| 301 | G | 91.3 | Very high | 95.8 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 69.3 | -156.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L214 Q295 | L214-G301 CarbonylContact O-C 3.55Å; L214-G301 VanDerWaalsContact O-CA 3.3Å; L214-G301 WeakPolarHBondContact O-CA 3.12Å; Q295-G301 PolarHBondContact NE2-O 3.25Å |
| 302 | E | 94.1 | Very high | 95.7 | Very high | 120 Ų | 120 | 51.1 Ų | 51.1 | 56% | 0.561 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -100.9 | 158.3 | -171.6 | -64.9 | -60.4 | 153.7 | 0 | 0 | 112.5 | L214 Q215 | L214-E302 PolarHBondContact O-N 2.87Å; Q215-E302 HydrophobicContact CB-CB 4.41Å; Q215-E302 HydrophobicContact CG-CB 4.13Å |
| 303 | W | 96.8 | Very high | 95.6 | Very high | 41 Ų | 41 | 53.8 Ų | 53.8 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -65 | 143.7 | 167.5 | -74.5 | 93.6 | 0 | 0 | 0 | 110.6 | Q215 R252 E254 M269 R293 Q295 | Q215-W303 PolarHBondContact NE2-O 3.37Å; Q215-W303 VanDerWaalsContact NE2-O 3.14Å; R252-W303 HydrophobicContact CG-CH2 4.2Å; R252-W303 VanDerWaalsContact NH2-CZ2 3.34Å; E254-W303 HydrophobicContact CB-CE3 4.43Å; E254-W303 HydrophobicContact CB-CH2 3.67Å; E254-W303 HydrophobicContact CB-CZ2 4.41Å; E254-W303 HydrophobicContact CB-CZ3 3.69Å; M269-W303 HydrophobicContact CE-CH2 3.81Å; M269-W303 HydrophobicContact CE-CZ2 4.23Å; M269-W303 HydrophobicContact SD-CH2 3.7Å; M269-W303 HydrophobicContact SD-CZ2 3.97Å; R293-W303 HydrophobicContact CB-CE3 4.37Å; R293-W303 HydrophobicContact CG-CD2 4.4Å; R293-W303 HydrophobicContact CG-CE3 3.65Å; R293-W303 HydrophobicContact CG-CZ3 4.14Å; Q295-W303 HydrophobicContact CB-CD2 3.7Å; Q295-W303 HydrophobicContact CB-CE3 3.56Å; Q295-W303 HydrophobicContact CB-CG 4.3Å; Q295-W303 HydrophobicContact CB-CH2 4.13Å; Q295-W303 HydrophobicContact CB-CZ2 4.26Å; Q295-W303 HydrophobicContact CB-CZ3 3.78Å; Q295-W303 HydrophobicContact CG-CD2 4.42Å; Q295-W303 VanDerWaalsContact OE1-CE2 3.23Å |
| 304 | S | 97.7 | Very high | 95.6 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 161.6 | 167 | 71.5 | 0 | 0 | 0 | 0 | 111.2 | P216 R293 A294 | P216-S304 WeakPolarHBondContact O-CB 3.5Å; R293-S304 WeakPolarHBondContact CB-O 3.04Å; A294-S304 PolarHBondContact N-OG 2.89Å; A294-S304 PolarHBondContact O-N 2.93Å; A294-S304 PolarHBondContact O-OG 3.34Å |
| 305 | E | 97.8 | Very high | 95.4 | Very high | 130 Ų | 130 | 54.5 Ų | 54.5 | 61% | 0.607 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 155.2 | 167.2 | -68.8 | -57.4 | 134.6 | 0 | 0 | 110.5 | P218 S307 | P218-E305 WeakPolarHBondContact CB-O 3.25Å; P218-E305 HydrophobicContact CG-CB 4.09Å; P218-E305 WeakPolarHBondContact CG-O 3.4Å; E305-S307 PolarHBondContact O-N 2.91Å |
| 306 | W | 98.1 | Very high | 95 | Very high | 55 Ų | 55 | 57 Ų | 57 | 21% | 0.208 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 137.3 | 172.3 | -69.5 | 93.8 | 0 | 0 | 0 | 110.1 | E254 R256 T267 Q291 R293 | E254-W306 HydrophobicContact CB-CH2 4.48Å; E254-W306 HydrophobicContact CG-CH2 4.21Å; E254-W306 VanDerWaalsContact OE2-CH2 3.26Å; E254-W306 WeakPolarHBondContact OE2-CH2 3.39Å; E254-W306 WeakPolarHBondContact OE2-CZ2 3.18Å; R256-W306 HydrophobicContact CB-CH2 3.84Å; R256-W306 HydrophobicContact CB-CZ3 3.9Å; R256-W306 HydrophobicContact CG-CD2 4.42Å; R256-W306 HydrophobicContact CG-CE3 3.83Å; R256-W306 HydrophobicContact CG-CH2 3.73Å; R256-W306 HydrophobicContact CG-CZ2 4.33Å; R256-W306 HydrophobicContact CG-CZ3 3.45Å; R256-W306 VanDerWaalsContact CG-CZ3 3.45Å; R256-W306 VanDerWaalsContact CZ-CD2 3.49Å; R256-W306 VanDerWaalsContact NH1-CE2 3.3Å; R256-W306 VanDerWaalsContact NH1-NE1 3.16Å; T267-W306 HydrophobicContact CG2-CH2 4.43Å; Q291-W306 HydrophobicContact CB-CE3 3.79Å; Q291-W306 HydrophobicContact CB-CZ3 4.5Å; R293-W306 HydrophobicContact CB-CD2 4.3Å; R293-W306 HydrophobicContact CB-CE3 4.13Å; R293-W306 HydrophobicContact CB-CZ3 4.41Å; R293-W306 HydrophobicContact CG-CD2 4.15Å; R293-W306 HydrophobicContact CG-CE3 3.98Å; R293-W306 HydrophobicContact CG-CH2 3.86Å; R293-W306 HydrophobicContact CG-CZ2 4.03Å; R293-W306 HydrophobicContact CG-CZ3 3.83Å; R293-W306 VanDerWaalsContact NE-CZ2 3.32Å |
| 307 | S | 98.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -57 | 160.4 | 172.5 | 69.5 | 0 | 0 | 0 | 0 | 111.6 | I222 Q291 L292 E305 | I222-S307 WeakPolarHBondContact CD1-OG 3.04Å; Q291-S307 WeakPolarHBondContact CA-OG 3.29Å; Q291-S307 PolarHBondContact NE2-O 3.04Å; L292-S307 PolarHBondContact N-OG 3.34Å; L292-S307 VanDerWaalsContact O-CB 3.31Å; L292-S307 WeakPolarHBondContact O-CB 3.41Å; L292-S307 PolarHBondContact O-N 2.85Å; L292-S307 PolarHBondContact O-OG 2.64Å; E305-S307 PolarHBondContact O-N 2.91Å |
| 308 | P | 97.7 | Very high | 92.7 | Very high | 108 Ų | 108 | 70.8 Ų | 70.8 | 70% | 0.701 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 150.8 | 163.8 | -25.2 | 35.4 | 0 | 0 | 0 | 111.6 | A310 | P308-A310 PolarHBondContact O-N 3.48Š|
| 309 | E | 97.1 | Very high | 90.8 | Very high | 104 Ų | 104 | 69.8 Ų | 69.8 | 49% | 0.486 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 116.5 | -179.1 | -69.1 | -171.6 | -171.9 | 0 | 0 | 111.1 | R258 V289 Q291 | R258-E309 IonicContact NH2-OE2 2.85Å; V289-E309 HydrophobicContact CG1-CB 3.78Å; V289-E309 HydrophobicContact CG1-CG 3.68Å; V289-E309 WeakPolarHBondContact CG1-OE2 3.32Å; Q291-E309 HydrophobicContact CG-CG 4.04Å |
| 310 | A | 97.3 | Very high | 88.6 | Confident | 15 Ų | 15 | 72.1 Ų | 72.1 | 12% | 0.124 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 141.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | I222 V224 V289 V290 P308 | I222-A310 HydrophobicContact CB-CB 4.09Å; I222-A310 HydrophobicContact CG2-CB 3.64Å; V224-A310 HydrophobicContact CG2-CB 3.87Å; V289-A310 CarbonylContact C-O 3.56Å; V289-A310 WeakPolarHBondContact CA-O 3.5Å; V290-A310 PolarHBondContact N-O 3.48Å; V290-A310 PolarHBondContact O-N 2.82Å; P308-A310 PolarHBondContact O-N 3.48Å |
| 311 | M | 97.3 | Very high | 86.4 | Confident | 95 Ų | 95 | 75 Ų | 75 | 47% | 0.468 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 143.8 | -174.9 | -67.8 | 179.1 | -76.9 | 0 | 0 | 112.3 | R287 H288 V289 | R287-M311 PolarHBondContact NH2-SD 2.84Å; H288-M311 VanDerWaalsContact O-CA 3.25Å; H288-M311 WeakPolarHBondContact O-CA 3.16Å; V289-M311 HydrophobicContact CG2-CG 4.2Å |
| 312 | G | 95.8 | Very high | 84.1 | Confident | 10 Ų | 10 | 85.3 Ų | 85.3 | 10% | 0.103 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 157.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H288 | H288-G312 PolarHBondContact N-O 2.04Å; H288-G312 PolarHBondContact O-N 2.98Å |
| 313 | T | 96.9 | Very high | 81.4 | Confident | 55 Ų | 55 | 84.6 Ų | 84.6 | 34% | 0.337 | 43% | 0.431 | S | S | . | . | trans | -121.5 | 130.3 | 176 | -52.4 | 0 | 0 | 0 | 0 | 108.5 | A226 R287 | A226-T313 WeakPolarHBondContact CB-O 3.35Å; R287-T313 WeakPolarHBondContact CG-OG1 3.29Å | ||
| 314 | P | 96.4 | Very high | 78.9 | Confident | 3 Ų | 3 | 89.4 Ų | 89.4 | 2% | 0.019 | 47% | 0.468 | C | S | . | . | trans | -58.1 | 160.9 | 177 | -24.6 | 34.2 | 0 | 0 | 0 | 112.3 | P231 L234 A282 L286 T316 | P231-P314 WeakPolarHBondContact O-CB 3.21Å; L234-P314 HydrophobicContact CD1-CG 4.24Å; L234-P314 HydrophobicContact CD2-CB 4.48Å; L234-P314 HydrophobicContact CD2-CG 4.19Å; L234-P314 HydrophobicContact CG-CG 4.05Å; A282-P314 HydrophobicContact CB-CG 3.77Å; L286-P314 WeakPolarHBondContact O-CD 3.48Å; P314-T316 PolarHBondContact O-N 3.31Å | ||
| 315 | W | 94.4 | Very high | 76.4 | Confident | 69 Ų | 69 | 91.8 Ų | 91.8 | 26% | 0.261 | 49% | 0.493 | S | S | . | . | trans | -58.1 | 134.6 | 179.5 | 177.1 | 84.5 | 0 | 0 | 0 | 110.3 | A226 V227 P231 D317 | A226-W315 HydrophobicContact CB-CB 4.2Å; V227-W315 VanDerWaalsContact O-CB 3.23Å; V227-W315 WeakPolarHBondContact O-CB 3.2Å; P231-W315 VanDerWaalsContact CA-O 3.29Å; P231-W315 WeakPolarHBondContact CA-O 3.4Å; P231-W315 HydrophobicContact CB-CE3 4.45Å; W315-D317 HydrophobicContact CH2-CB 3.34Å; W315-D317 HydrophobicContact CZ2-CB 3.85Å; W315-D317 HydrophobicContact CZ3-CB 3.87Å | ||
| 316 | T | 88.4 | Confident | 73.8 | Confident | 64 Ų | 64 | 96 Ų | 96 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | trans | -118.8 | 134 | 170.7 | 44.3 | 0 | 0 | 0 | 0 | 107 | P314 R318 | P314-T316 PolarHBondContact O-N 3.31Å; T316-R318 PolarHBondContact O-N 3.36Å | ||
| 317 | D | 79.1 | Confident | 71.2 | Confident | 117 Ų | 117 | 98.1 Ų | 98.1 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | trans | -68.7 | 90.5 | 166.5 | -146.3 | -4.3 | 0 | 0 | 0 | 105.7 | W315 L319 | W315-D317 HydrophobicContact CH2-CB 3.34Å; W315-D317 HydrophobicContact CZ2-CB 3.85Å; W315-D317 HydrophobicContact CZ3-CB 3.87Å; D317-L319 PolarHBondContact O-N 3.37Å | ||
| 318 | R | 61.2 | Low | 68.4 | Low | 221 Ų | 221 | 103.3 Ų | 103.3 | 83% | 0.834 | 56% | 0.559 | S | S | * | * | trans | -65.5 | 90.7 | 158.3 | -71.6 | -166.1 | -179.2 | -154.6 | 2.2 | 103.7 | T316 S320 | T316-R318 PolarHBondContact O-N 3.36Å; R318-S320 VanDerWaalsContact C-N 3.32Å; R318-S320 PolarHBondContact O-N 3.27Å | ||
| 319 | L | 51.1 | Low | 65.9 | Low | 145 Ų | 145 | 101.1 Ų | 101.1 | 76% | 0.759 | 55% | 0.55 | S | S | * | . | trans | -39.1 | 115.9 | 144 | -74.9 | 167.8 | 0 | 0 | 0 | 104.4 | D317 | D317-L319 PolarHBondContact O-N 3.37Š| ||
| 320 | S | 44.4 | Very low | 63.3 | Low | 79 Ų | 79 | 100.9 Ų | 100.9 | 55% | 0.552 | 56% | 0.555 | S | S | * | * | trans | -26.9 | 140.7 | 160.5 | 34.4 | 0 | 0 | 0 | 0 | 109.5 | R318 R322 | R318-S320 VanDerWaalsContact C-N 3.32Å; R318-S320 PolarHBondContact O-N 3.27Å; S320-R322 PolarHBondContact O-N 3.14Å | ||
| 321 | P | 43.6 | Very low | 60.7 | Low | 125 Ų | 125 | 107.1 Ų | 107.1 | 81% | 0.812 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -47.8 | 116.4 | 170.7 | 22.4 | -30.8 | 0 | 0 | 0 | 105.5 | C323 | P321-C323 PolarHBondContact O-N 3.24Š|
| 322 | R | 42.8 | Very low | 58.3 | Low | 232 Ų | 232 | 105.8 Ų | 105.8 | 88% | 0.875 | 58% | 0.582 | S | S | * | * | trans | -36.2 | 118.9 | -177.9 | -79.3 | 175.6 | -118.3 | -109.1 | -3.1 | 106.6 | S320 P324 | S320-R322 PolarHBondContact O-N 3.14Å; R322-P324 WeakPolarHBondContact O-CD 3.08Å | ||
| 323 | C | 37.5 | Very low | 56 | Low | 104 Ų | 104 | 112.7 Ų | 112.7 | 70% | 0.703 | 61% | 0.612 | S | S | * | * | trans | -44.1 | 116.6 | 169.4 | -66.1 | 0 | 0 | 0 | 0 | 106.6 | P321 G325 | P321-C323 PolarHBondContact O-N 3.24Å; C323-G325 PolarHBondContact O-N 3.48Å | ||
| 324 | P | 43.6 | Very low | 53.6 | Low | 142 Ų | 142 | 116.2 Ų | 116.2 | 92% | 0.922 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 55.9 | -179.5 | 29.5 | -31.1 | 0 | 0 | 0 | 109.5 | R322 | R322-P324 WeakPolarHBondContact O-CD 3.08Š|
| 325 | G | 44.9 | Very low | 51.1 | Low | 54 Ų | 54 | 120.7 Ų | 120.7 | 56% | 0.557 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.5 | 0 | -164.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | C323 | C323-G325 PolarHBondContact O-N 3.48Š|
| 326 | W | 43.3 | Very low | 48.7 | Very low | 217 Ų | 217 | 121 Ų | 121 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -121.1 | 28.1 | -179.3 | -151 | -16 | 0 | 0 | 0 | 114.9 | ||
| 327 | S | 44.2 | Very low | 46.5 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -113.5 | -0.5 | 173.9 | -44.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 328 | T | 40.2 | Very low | 45 | Very low | 110 Ų | 110 | 121.4 Ų | 121.4 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -118.7 | -9.5 | -172.2 | 37.9 | 0 | 0 | 0 | 0 | 115.7 | ||
| 329 | A | 43.4 | Very low | 44.3 | Very low | 63 Ų | 63 | 115.3 Ų | 115.3 | 52% | 0.521 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -89.4 | -18.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 330 | V | 44.6 | Very low | 44.2 | Very low | 98 Ų | 98 | 112.7 Ų | 112.7 | 59% | 0.594 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -96.1 | -15.1 | -179.2 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 331 | Q | 42.4 | Very low | 44.2 | Very low | 146 Ų | 146 | 119.8 Ų | 119.8 | 68% | 0.682 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -95 | -13.6 | -179 | -138.9 | 156.3 | -13.5 | 0 | 0 | 113.7 | T335 | Q331-T335 PolarHBondContact O-OG1 3.32Š|
| 332 | S | 46.4 | Very low | 44.1 | Very low | 68 Ų | 68 | 120.3 Ų | 120.3 | 48% | 0.476 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -88.8 | -16.5 | 174.5 | 60 | 0 | 0 | 0 | 0 | 114.2 | ||
| 333 | Q | 46.8 | Very low | 44.2 | Very low | 155 Ų | 155 | 118.3 Ų | 118.3 | 72% | 0.724 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -89.6 | -13.2 | 172.8 | -75.8 | -172.7 | -24.7 | 0 | 0 | 114 | T337 | Q333-T337 PolarHBondContact O-OG1 2.97Š|
| 334 | L | 47.7 | Very low | 44.5 | Very low | 128 Ų | 128 | 117.9 Ų | 117.9 | 67% | 0.67 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -96.7 | -0.2 | 175.5 | -79.4 | 161.1 | 0 | 0 | 0 | 113.9 | ||
| 335 | T | 43.1 | Very low | 44.3 | Very low | 97 Ų | 97 | 119.4 Ų | 119.4 | 60% | 0.595 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -115.5 | -3.1 | 173 | 39.5 | 0 | 0 | 0 | 0 | 113.8 | Q331 | Q331-T335 PolarHBondContact O-OG1 3.32Š|
| 336 | A | 43.3 | Very low | 44.1 | Very low | 75 Ų | 75 | 124.7 Ų | 124.7 | 62% | 0.62 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -96.4 | -7.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 337 | T | 43.2 | Very low | 44.2 | Very low | 101 Ų | 101 | 119.4 Ų | 119.4 | 62% | 0.62 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -105.9 | -3.9 | 177 | 39.9 | 0 | 0 | 0 | 0 | 114.2 | Q333 | Q333-T337 PolarHBondContact O-OG1 2.97Š|
| 338 | S | 47.5 | Very low | 44.3 | Very low | 89 Ų | 89 | 120.7 Ų | 120.7 | 62% | 0.622 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -98.5 | -1.2 | 177 | 64.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 339 | A | 46.2 | Very low | 45 | Very low | 93 Ų | 93 | 124.4 Ų | 124.4 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -108.3 | 11.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 340 | S | 49.9 | Very low | 45.3 | Very low | 91 Ų | 91 | 126.9 Ų | 126.9 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -118 | 10.7 | 177.6 | 77.6 | 0 | 0 | 0 | 0 | 116 | ||
| 341 | W | 43.6 | Very low | 45.7 | Very low | 227 Ų | 227 | 128.1 Ų | 128.1 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -118.5 | 16.6 | 179 | -85.5 | 89.6 | 0 | 0 | 0 | 115.5 | ||
| 342 | V | 42.3 | Very low | 45.5 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -109.9 | 72.1 | 167.5 | -170.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 343 | Q | 44.1 | Very low | 45.4 | Very low | 190 Ų | 190 | 137.9 Ų | 137.9 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -161.8 | 135.7 | 148.3 | -109.4 | 171.2 | 6.7 | 0 | 0 | 109.8 | ||
| 344 | A | 43.3 | Very low | 45.4 | Very low | 95 Ų | 95 | 137 Ų | 137 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 85.9 | 79 | 171.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 345 | I | 40.1 | Very low | 45.2 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 89% | 0.892 | 79% | 0.786 | S | S | * | * | trans | -142.5 | 94.3 | 134.8 | -50.8 | -179.8 | 0 | 0 | 0 | 108.6 | ||||
| 346 | L | 41.6 | Very low | 45.4 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 135.1 | 160.4 | -107.3 | 135.3 | 0 | 0 | 0 | 107.3 | ||
| 347 | P | 45.2 | Very low | 45.5 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 68% | 0.682 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 146.1 | 177.1 | 31.4 | -32.4 | 0 | 0 | 0 | 111 | ||
| 348 | P | 46.2 | Very low | 45.6 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 137.6 | 174 | 30.7 | -30.4 | 0 | 0 | 0 | 110.8 | ||
| 349 | Q | 55 | Low | 45.5 | Very low | 187 Ų | 187 | 150.9 Ų | 150.9 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 150.2 | 172 | -80.3 | -157 | -27.4 | 0 | 0 | 112.1 | ||
| 350 | P | 50 | Low | 45.5 | Very low | 115 Ų | 115 | 155.4 Ų | 155.4 | 75% | 0.747 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 156.3 | 177.6 | 33.2 | -33.6 | 0 | 0 | 0 | 112.9 | ||
| 351 | P | 51.6 | Low | 45.1 | Very low | 124 Ų | 124 | 160.8 Ų | 160.8 | 81% | 0.805 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 157.4 | -169.7 | 34.4 | -35.2 | 0 | 0 | 0 | 114.4 | ||
| 352 | K | 38.3 | Very low | 45.2 | Very low | 282 Ų | 282 | 154.7 Ų | 154.7 | 100% | 1.226 | 86% | 0.857 | S | S | * | * | trans | -132.6 | 0 | 142 | -91.6 | -171.1 | 179 | 177.6 | 0 | 109.1 |
Retrieved 352 of 352 residues in 110.5 ms
(Link to these results)