| 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 | 39.9 | Very low | 43.8 | Very low | 248 Ų | 248 | 155.2 Ų | 155.2 | 100% | 1.222 | 80% | 0.796 | S | S | * | * | 0 | 94.4 | 0 | -71 | 153.4 | 81.8 | 0 | 0 | 107.5 | |||||
| 2 | S | 37.7 | Very low | 45 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -115.7 | 109.2 | 170.5 | -173.1 | 0 | 0 | 0 | 0 | 106.3 | S4 | S2-S4 PolarHBondContact O-N 3.14Š| ||
| 3 | S | 41 | Very low | 46.1 | Very low | 117 Ų | 117 | 152 Ų | 152 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -87.1 | 104.9 | 179.9 | -159.5 | 0 | 0 | 0 | 0 | 107.1 | R5 | S3-R5 PolarHBondContact O-N 2.99Š| ||
| 4 | S | 41.8 | Very low | 47.4 | Very low | 114 Ų | 114 | 152.6 Ų | 152.6 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -74.7 | 115.2 | 172.6 | -174 | 0 | 0 | 0 | 0 | 108.3 | S2 Y6 | S2-S4 PolarHBondContact O-N 3.14Å; S4-Y6 PolarHBondContact O-N 3.01Å | ||
| 5 | R | 47.8 | Very low | 48.9 | Very low | 223 Ų | 223 | 146.3 Ų | 146.3 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -72.4 | 116.8 | 170.2 | -88.4 | -179.4 | -87 | -164.7 | -4.4 | 108.2 | S3 E7 | S3-R5 PolarHBondContact O-N 2.99Å; R5-E7 PolarHBondContact O-N 3.44Å | ||
| 6 | Y | 44 | Very low | 50.9 | Low | 202 Ų | 202 | 143.9 Ų | 143.9 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -80.3 | 107.4 | 168.3 | -180 | -98.5 | 0 | 0 | 0 | 108.1 | S4 P8 | S4-Y6 PolarHBondContact O-N 3.01Å; Y6-P8 HydrophobicContact CE1-CB 4.11Å; Y6-P8 HydrophobicContact CE1-CG 4.38Å | ||
| 7 | E | 42.8 | Very low | 53.2 | Low | 159 Ų | 159 | 141.2 Ų | 141.2 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | -90.2 | 118.1 | 167.3 | -74.4 | -75.3 | 126.7 | 0 | 0 | 107.7 | R5 S9 | R5-E7 PolarHBondContact O-N 3.44Å; E7-S9 PolarHBondContact O-N 3.25Å | ||
| 8 | P | 45.4 | Very low | 55.3 | Low | 61 Ų | 61 | 136.7 Ų | 136.7 | 40% | 0.396 | 73% | 0.729 | S | S | . | * | trans | -77.6 | 115.6 | 172.3 | 13.4 | -0.5 | 0 | 0 | 0 | 109 | Y6 W10 | Y6-P8 HydrophobicContact CE1-CB 4.11Å; Y6-P8 HydrophobicContact CE1-CG 4.38Å; P8-W10 PolarHBondContact O-N 3.47Å | ||
| 9 | S | 44.1 | Very low | 57.3 | Low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | trans | -74.5 | 105.6 | 168.3 | 57.4 | 0 | 0 | 0 | 0 | 109 | E7 D11 | E7-S9 PolarHBondContact O-N 3.25Å; S9-D11 VanDerWaalsContact C-N 3.28Å; S9-D11 PolarHBondContact O-N 3.08Å; S9-D11 VanDerWaalsContact O-N 3.09Å | ||
| 10 | W | 48.2 | Very low | 59.2 | Low | 217 Ų | 217 | 126.7 Ų | 126.7 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | trans | -80.4 | 78.8 | 170.7 | -56 | 86.2 | 0 | 0 | 0 | 108.9 | P8 V12 | P8-W10 PolarHBondContact O-N 3.47Å; W10-V12 VanDerWaalsContact C-N 3.27Å; W10-V12 HydrophobicContact CB-CG2 4.49Å; W10-V12 PolarHBondContact O-N 3.15Å | ||
| 11 | D | 48.8 | Very low | 60.7 | Low | 143 Ų | 143 | 126.7 Ų | 126.7 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | trans | -73.9 | 89.6 | 161.9 | -77.1 | -45.2 | 0 | 0 | 0 | 107.4 | S9 D13 | S9-D11 VanDerWaalsContact C-N 3.28Å; S9-D11 PolarHBondContact O-N 3.08Å; S9-D11 VanDerWaalsContact O-N 3.09Å; D11-D13 PolarHBondContact O-N 3.27Å | ||
| 12 | V | 58.3 | Low | 63.3 | Low | 108 Ų | 108 | 118.3 Ų | 118.3 | 66% | 0.655 | 64% | 0.635 | S | S | * | * | trans | -78.3 | 98.8 | 169.1 | -178.9 | 0 | 0 | 0 | 0 | 106.5 | W10 L14 | W10-V12 VanDerWaalsContact C-N 3.27Å; W10-V12 HydrophobicContact CB-CG2 4.49Å; W10-V12 PolarHBondContact O-N 3.15Å; V12-L14 PolarHBondContact O-N 3.21Å | ||
| 13 | D | 59.9 | Low | 66 | Low | 161 Ų | 161 | 115.3 Ų | 115.3 | 86% | 0.861 | 61% | 0.613 | S | S | * | * | trans | -57.7 | 98.4 | 167.5 | -84.2 | -37.1 | 0 | 0 | 0 | 108.7 | D11 A15 | D11-D13 PolarHBondContact O-N 3.27Å; D13-A15 PolarHBondContact O-N 3.49Å; D13-A15 VanDerWaalsContact O-N 3.14Å | ||
| 14 | L | 64.4 | Low | 68.6 | Low | 160 Ų | 160 | 116.3 Ų | 116.3 | 84% | 0.838 | 61% | 0.609 | S | S | * | * | trans | -65.3 | 113.6 | 170.1 | -85.7 | 105.9 | 0 | 0 | 0 | 108 | V12 | V12-L14 PolarHBondContact O-N 3.21Š| ||
| 15 | A | 69.3 | Low | 71 | Confident | 58 Ų | 58 | 112 Ų | 112 | 48% | 0.479 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 134.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | D13 L17 | D13-A15 PolarHBondContact O-N 3.49Å; D13-A15 VanDerWaalsContact O-N 3.14Å; A15-L17 PolarHBondContact O-N 2.83Å |
| 16 | P | 81.2 | Confident | 73.2 | Confident | 109 Ų | 109 | 108 Ų | 108 | 71% | 0.708 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 127.8 | -178.3 | 23.4 | -31.1 | 0 | 0 | 0 | 110.9 | ||
| 17 | L | 89.3 | Confident | 75.5 | Confident | 97 Ų | 97 | 100.8 Ų | 100.8 | 51% | 0.508 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 144.2 | 174.1 | -60 | 175.2 | 0 | 0 | 0 | 110.4 | A15 E26 P28 | A15-L17 PolarHBondContact O-N 2.83Å; L17-E26 HydrophobicContact CB-CB 4.18Å; L17-E26 HydrophobicContact CD1-CB 4.28Å; L17-P28 HydrophobicContact CD2-CB 4.06Å |
| 18 | L | 91.8 | Very high | 77.9 | Confident | 61 Ų | 61 | 94.8 Ų | 94.8 | 32% | 0.319 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 145.6 | 176.4 | -65.6 | 172.7 | 0 | 0 | 0 | 109.5 | E26 F27 L29 M32 | L18-E26 CarbonylContact O-C 3.55Å; L18-E26 VanDerWaalsContact O-CA 3.3Å; L18-E26 WeakPolarHBondContact O-CA 3.26Å; L18-F27 PolarHBondContact N-O 3.38Å; L18-F27 PolarHBondContact O-N 3.5Å; L18-L29 HydrophobicContact CD1-CD1 3.61Å; L18-M32 HydrophobicContact CB-CE 3.38Å; L18-M32 HydrophobicContact CB-CG 4.15Å; L18-M32 HydrophobicContact CD1-CG 4.08Å; L18-M32 WeakPolarHBondContact O-CE 3.24Å |
| 19 | S | 93.4 | Very high | 80.1 | Confident | 72 Ų | 72 | 97 Ų | 97 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.5 | 178 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | G25 | S19-G25 WeakPolarHBondContact CA-O 3.49Å |
| 20 | C | 95.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 99.4 Ų | 99.4 | 0% | 0 | 53% | 0.529 | C | S | . | . | trans | -85.9 | 125.5 | 173.6 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | L22 L24 G25 F27 M32 C43 | C20-L22 VanDerWaalsContact C-N 3.28Å; C20-L22 PolarHBondContact O-N 2.91Å; C20-L22 PolarHBondContact SG-N 2.97Å; C20-L24 WeakPolarHBondContact O-CA 3.13Å; C20-L24 PolarHBondContact O-N 3.37Å; C20-G25 PolarHBondContact N-O 2.79Å; C20-F27 HydrophobicContact CB-CD2 4.1Å; C20-F27 HydrophobicContact CB-CE2 4.04Å; C20-M32 HydrophobicContact CB-CE 4.27Å; C20-C43 HydrophobicContact CB-CB 4.04Å; C20-C43 PolarHBondContact SG-N 2.88Å; C20-C43 VanDerWaalsContact SG-SG 3.69Å | ||
| 21 | K | 91.4 | Very high | 84.5 | Confident | 127 Ų | 127 | 94.1 Ų | 94.1 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -14.1 | 179.6 | -65 | 177.9 | 174.4 | -178.6 | 0 | 115.4 | F42 D67 | K21-F42 HydrophobicContact CB-CD1 4.44Å; K21-F42 HydrophobicContact CB-CE1 4.14Å; K21-D67 IonicContact NZ-OD2 2.71Å; K21-D67 PolarHBondContact NZ-OD2 3.28Å |
| 22 | L | 93.8 | Very high | 86.7 | Confident | 73 Ų | 73 | 88.1 Ų | 88.1 | 38% | 0.382 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -47.1 | -178.4 | -70.8 | 172.3 | 0 | 0 | 0 | 112.4 | C20 F42 C46 P66 | C20-L22 VanDerWaalsContact C-N 3.28Å; C20-L22 PolarHBondContact O-N 2.91Å; C20-L22 PolarHBondContact SG-N 2.97Å; L22-F42 HydrophobicContact CD1-CB 4.42Å; L22-F42 HydrophobicContact CD1-CD1 3.73Å; L22-F42 HydrophobicContact CD1-CE1 4.23Å; L22-F42 HydrophobicContact CD1-CG 4.19Å; L22-F42 HydrophobicContact CG-CD1 3.68Å; L22-F42 HydrophobicContact CG-CE1 3.96Å; L22-C46 HydrophobicContact CB-CB 3.87Å; L22-C46 HydrophobicContact CD1-CB 3.76Å; L22-C46 HydrophobicContact CG-CB 4.48Å; L22-P66 HydrophobicContact CD1-CB 4Å; L22-P66 HydrophobicContact CD1-CG 4.17Å; L22-P66 HydrophobicContact CD2-CB 3.88Å; L22-P66 HydrophobicContact CG-CB 4.34Å |
| 23 | C | 95.2 | Very high | 88.4 | Confident | 59 Ų | 59 | 84.7 Ų | 84.7 | 40% | 0.399 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -3.9 | 178.6 | 62.2 | 0 | 0 | 0 | 0 | 114.2 | G25 F27 C46 | C23-G25 PolarHBondContact O-N 3.43Å; C23-G25 VanDerWaalsContact O-N 3.1Å; C23-F27 VanDerWaalsContact SG-CE2 3.54Å; C23-C46 VanDerWaalsContact CB-SG 3.52Å; C23-C46 VanDerWaalsContact SG-SG 3.63Å |
| 24 | L | 93.6 | Very high | 90.1 | Very high | 139 Ų | 139 | 79.5 Ų | 79.5 | 73% | 0.728 | 43% | 0.434 | S | S | * | . | trans | 60.8 | 13.6 | -177.8 | -50.5 | 177.8 | 0 | 0 | 0 | 114.5 | C20 | C20-L24 WeakPolarHBondContact O-CA 3.13Å; C20-L24 PolarHBondContact O-N 3.37Å | ||
| 25 | G | 92.6 | Very high | 91.5 | Very high | 22 Ų | 22 | 72 Ų | 72 | 23% | 0.227 | 40% | 0.395 | C | S | . | . | trans | -85 | 159.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S19 C20 C23 F27 | S19-G25 WeakPolarHBondContact CA-O 3.49Å; C20-G25 PolarHBondContact N-O 2.79Å; C23-G25 PolarHBondContact O-N 3.43Å; C23-G25 VanDerWaalsContact O-N 3.1Å; G25-F27 VanDerWaalsContact C-CE2 3.43Å; G25-F27 WeakPolarHBondContact O-CD2 3.41Å; G25-F27 WeakPolarHBondContact O-CE2 3.46Å | ||
| 26 | E | 94.5 | Very high | 92.7 | Very high | 139 Ų | 139 | 72.2 Ų | 72.2 | 65% | 0.65 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129.8 | 174.4 | -64.8 | -171.3 | 162.2 | 0 | 0 | 110.7 | L17 L18 | L17-E26 HydrophobicContact CB-CB 4.18Å; L17-E26 HydrophobicContact CD1-CB 4.28Å; L18-E26 CarbonylContact O-C 3.55Å; L18-E26 VanDerWaalsContact O-CA 3.3Å; L18-E26 WeakPolarHBondContact O-CA 3.26Å |
| 27 | F | 93.3 | Very high | 93.4 | Very high | 52 Ų | 52 | 70.9 Ų | 70.9 | 23% | 0.228 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 148.6 | -174.4 | -58.4 | -86.8 | 0 | 0 | 0 | 110.8 | L18 C20 C23 G25 Q31 M32 C43 | L18-F27 PolarHBondContact N-O 3.38Å; L18-F27 PolarHBondContact O-N 3.5Å; C20-F27 HydrophobicContact CB-CD2 4.1Å; C20-F27 HydrophobicContact CB-CE2 4.04Å; C23-F27 VanDerWaalsContact SG-CE2 3.54Å; G25-F27 VanDerWaalsContact C-CE2 3.43Å; G25-F27 WeakPolarHBondContact O-CD2 3.41Å; G25-F27 WeakPolarHBondContact O-CE2 3.46Å; F27-Q31 HydrophobicContact CB-CB 4.2Å; F27-M32 HydrophobicContact CB-CE 3.98Å; F27-M32 HydrophobicContact CB-CG 4.48Å; F27-M32 HydrophobicContact CB-SD 4.14Å; F27-M32 HydrophobicContact CD2-CE 4.18Å; F27-C43 HydrophobicContact CD1-CB 4.44Å; F27-C43 HydrophobicContact CD2-CB 3.61Å; F27-C43 HydrophobicContact CE2-CB 3.8Å; F27-C43 HydrophobicContact CG-CB 3.95Å; F27-C43 HydrophobicContact CZ-CB 4.3Å |
| 28 | P | 93.2 | Very high | 93.6 | Very high | 32 Ų | 32 | 66.7 Ų | 66.7 | 21% | 0.208 | 36% | 0.356 | C | S | . | . | trans | -70.6 | 160.1 | 173.7 | 35.8 | -39 | 0 | 0 | 0 | 110.3 | L17 E30 Q31 | L17-P28 HydrophobicContact CD2-CB 4.06Å; P28-E30 VanDerWaalsContact CB-OE2 3.31Å; P28-E30 WeakPolarHBondContact CB-OE2 3.45Å; P28-E30 PolarHBondContact O-N 3.41Å; P28-E30 VanDerWaalsContact O-N 3.14Å; P28-Q31 HydrophobicContact CG-CB 4.37Å; P28-Q31 HydrophobicContact CG-CG 4.04Å; P28-Q31 PolarHBondContact O-N 3.41Å | ||
| 29 | L | 90.7 | Very high | 93.7 | Very high | 107 Ų | 107 | 69.3 Ų | 69.3 | 56% | 0.56 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -57.6 | -31.8 | -172.3 | -177.9 | 65.8 | 0 | 0 | 0 | 113 | L18 Q31 M32 | L18-L29 HydrophobicContact CD1-CD1 3.61Å; L29-Q31 PolarHBondContact O-N 3.03Å; L29-M32 WeakPolarHBondContact O-CB 3.46Å; L29-M32 PolarHBondContact O-N 2.95Å; L29-M32 VanDerWaalsContact O-N 3.09Å |
| 30 | E | 91.6 | Very high | 93.8 | Very high | 152 Ų | 152 | 66.8 Ų | 66.8 | 71% | 0.71 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -68.2 | -20.9 | -179.7 | -52.5 | 77.6 | -166 | 0 | 0 | 112.8 | P28 | P28-E30 VanDerWaalsContact CB-OE2 3.31Å; P28-E30 WeakPolarHBondContact CB-OE2 3.45Å; P28-E30 PolarHBondContact O-N 3.41Å; P28-E30 VanDerWaalsContact O-N 3.14Å |
| 31 | Q | 93.3 | Very high | 93.7 | Very high | 106 Ų | 106 | 69.8 Ų | 69.8 | 50% | 0.495 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -98.7 | 7.6 | 176.8 | -63.3 | -179.4 | 22.2 | 0 | 0 | 112.3 | F27 P28 L29 C43 S44 | F27-Q31 HydrophobicContact CB-CB 4.2Å; P28-Q31 HydrophobicContact CG-CB 4.37Å; P28-Q31 HydrophobicContact CG-CG 4.04Å; P28-Q31 PolarHBondContact O-N 3.41Å; L29-Q31 PolarHBondContact O-N 3.03Å; Q31-C43 CarbonylContact O-C 3.54Å; Q31-C43 WeakPolarHBondContact O-CA 3.24Å; Q31-S44 PolarHBondContact O-N 3.17Å; Q31-S44 PolarHBondContact O-OG 3.15Å; Q31-S44 VanDerWaalsContact O-OG 3.09Å |
| 32 | M | 94.6 | Very high | 94 | Very high | 17 Ų | 17 | 63.8 Ų | 63.8 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 144.5 | 177 | -67.4 | -61.1 | -150.7 | 0 | 0 | 110.6 | L18 C20 F27 L29 I41 F42 C43 | L18-M32 HydrophobicContact CB-CE 3.38Å; L18-M32 HydrophobicContact CB-CG 4.15Å; L18-M32 HydrophobicContact CD1-CG 4.08Å; L18-M32 WeakPolarHBondContact O-CE 3.24Å; C20-M32 HydrophobicContact CB-CE 4.27Å; F27-M32 HydrophobicContact CB-CE 3.98Å; F27-M32 HydrophobicContact CB-CG 4.48Å; F27-M32 HydrophobicContact CB-SD 4.14Å; F27-M32 HydrophobicContact CD2-CE 4.18Å; L29-M32 WeakPolarHBondContact O-CB 3.46Å; L29-M32 PolarHBondContact O-N 2.95Å; L29-M32 VanDerWaalsContact O-N 3.09Å; M32-I41 HydrophobicContact CB-CG2 3.7Å; M32-I41 HydrophobicContact CG-CG2 4.13Å; M32-I41 HydrophobicContact SD-CG2 4.28Å; M32-F42 CarbonylContact C-O 3.54Å; M32-F42 WeakPolarHBondContact CA-O 3.49Å; M32-C43 WeakPolarHBondContact SD-CA 3.37Å; M32-C43 HydrophobicContact SD-CB 3.85Å; M32-C43 PolarHBondContact SD-N 3.49Å |
| 33 | T | 94.8 | Very high | 94.1 | Very high | 36 Ų | 36 | 60.5 Ų | 60.5 | 22% | 0.221 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.5 | 171.1 | -53.9 | 0 | 0 | 0 | 0 | 110 | I41 F42 S44 L47 M84 | T33-I41 WeakPolarHBondContact O-CA 3.4Å; T33-F42 PolarHBondContact N-O 3.47Å; T33-F42 PolarHBondContact O-N 2.96Å; T33-S44 WeakPolarHBondContact OG1-CB 3.37Å; T33-S44 PolarHBondContact OG1-OG 3.44Å; T33-L47 HydrophobicContact CG2-CD2 3.97Å; T33-M84 HydrophobicContact CG2-CE 3.44Å; T33-M84 VanDerWaalsContact CG2-CE 3.44Å |
| 34 | T | 94.5 | Very high | 94.1 | Very high | 52 Ų | 52 | 59.8 Ų | 59.8 | 32% | 0.319 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.5 | 178.3 | -55.4 | 0 | 0 | 0 | 0 | 109.6 | Q39 C40 I41 | T34-Q39 HydrophobicContact CG2-CB 4.48Å; T34-C40 WeakPolarHBondContact CA-O 3.14Å; T34-I41 HydrophobicContact CG2-CG1 4.1Å |
| 35 | I | 95.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | trans | -79.9 | 123 | 174.8 | -58.2 | 173 | 0 | 0 | 0 | 109.1 | Q37 C38 Q39 C40 F42 L47 C65 L76 | I35-Q37 PolarHBondContact O-N 3.22Å; I35-C38 PolarHBondContact O-N 2.98Å; I35-Q39 VanDerWaalsContact O-CA 3.25Å; I35-Q39 WeakPolarHBondContact O-CA 3.43Å; I35-Q39 PolarHBondContact O-N 3.17Å; I35-C40 PolarHBondContact N-O 3.45Å; I35-F42 HydrophobicContact CD1-CD2 4.23Å; I35-F42 HydrophobicContact CD1-CE2 3.83Å; I35-L47 HydrophobicContact CD1-CD1 4.34Å; I35-L47 HydrophobicContact CG1-CD2 4.2Å; I35-C65 HydrophobicContact CD1-CB 4.25Å; I35-L76 HydrophobicContact CD1-CD1 4.02Å; I35-L76 HydrophobicContact CD1-CG 4.4Å; I35-L76 HydrophobicContact CG1-CG 4.42Å; I35-L76 HydrophobicContact CG2-CG 4.44Å | ||
| 36 | S | 94.3 | Very high | 94.4 | Very high | 62 Ų | 62 | 58.3 Ų | 58.3 | 43% | 0.434 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -39.8 | -171.4 | -60.8 | 0 | 0 | 0 | 0 | 113.4 | Q39 E80 | S36-Q39 PolarHBondContact O-NE2 2.84Å; S36-E80 WeakPolarHBondContact CB-OE1 3.4Å; S36-E80 PolarHBondContact N-OE1 2.88Å; S36-E80 PolarHBondContact OG-OE1 3.17Å |
| 37 | Q | 94.5 | Very high | 94.5 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 38% | 0.383 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -36.1 | -176.2 | -65.5 | -167.6 | 16 | 0 | 0 | 113.3 | I35 K72 H75 L77 | I35-Q37 PolarHBondContact O-N 3.22Å; Q37-K72 WeakPolarHBondContact O-CD 3.44Å; Q37-H75 VanDerWaalsContact CG-O 3.29Å; Q37-H75 WeakPolarHBondContact CG-O 3.29Å; Q37-H75 PolarHBondContact NE2-O 2.94Å; Q37-H75 PolarHBondContact OE1-O 3.22Å; Q37-L77 HydrophobicContact CG-CD2 4.35Å; Q37-L77 HydrophobicContact CG-CG 4.4Å |
| 38 | C | 94.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 6% | 0.061 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -11.5 | -172.9 | 60.3 | 0 | 0 | 0 | 0 | 115.6 | I35 C40 C65 C70 K72 | I35-C38 PolarHBondContact O-N 2.98Å; C38-C40 PolarHBondContact O-N 2.78Å; C38-C40 VanDerWaalsContact SG-SG 3.7Å; C38-C65 VanDerWaalsContact SG-SG 3.67Å; C38-C70 WeakPolarHBondContact CB-SG 3.47Å; C38-K72 HydrophobicContact CB-CB 3.97Å |
| 39 | Q | 94.3 | Very high | 94.7 | Very high | 116 Ų | 116 | 57 Ų | 57 | 54% | 0.542 | 30% | 0.295 | S | S | . | . | trans | 61.8 | 18.1 | -175.8 | -53.7 | -65.9 | -44.5 | 0 | 0 | 113.9 | T34 I35 S36 | T34-Q39 HydrophobicContact CG2-CB 4.48Å; I35-Q39 VanDerWaalsContact O-CA 3.25Å; I35-Q39 WeakPolarHBondContact O-CA 3.43Å; I35-Q39 PolarHBondContact O-N 3.17Å; S36-Q39 PolarHBondContact O-NE2 2.84Å | ||
| 40 | C | 94.3 | Very high | 94.9 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 12% | 0.122 | 28% | 0.279 | C | S | . | . | trans | -71.9 | 140.5 | 171 | -66.4 | 0 | 0 | 0 | 0 | 109.9 | T34 I35 C38 F42 C70 | T34-C40 WeakPolarHBondContact CA-O 3.14Å; I35-C40 PolarHBondContact N-O 3.45Å; C38-C40 PolarHBondContact O-N 2.78Å; C38-C40 VanDerWaalsContact SG-SG 3.7Å; C40-F42 HydrophobicContact CB-CE2 3.66Å; C40-F42 HydrophobicContact CB-CZ 4.12Å; C40-C70 VanDerWaalsContact SG-SG 3.65Å | ||
| 41 | I | 94.4 | Very high | 95 | Very high | 64 Ų | 64 | 47.4 Ų | 47.4 | 33% | 0.328 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.1 | -174.1 | -51.2 | -178.2 | 0 | 0 | 0 | 109.6 | M32 T33 T34 | M32-I41 HydrophobicContact CB-CG2 3.7Å; M32-I41 HydrophobicContact CG-CG2 4.13Å; M32-I41 HydrophobicContact SD-CG2 4.28Å; T33-I41 WeakPolarHBondContact O-CA 3.4Å; T34-I41 HydrophobicContact CG2-CG1 4.1Å |
| 42 | F | 96.4 | Very high | 95 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 158.7 | 176.3 | -54.6 | -87.5 | 0 | 0 | 0 | 109.9 | K21 L22 M32 T33 I35 C40 L47 P66 D67 | K21-F42 HydrophobicContact CB-CD1 4.44Å; K21-F42 HydrophobicContact CB-CE1 4.14Å; L22-F42 HydrophobicContact CD1-CB 4.42Å; L22-F42 HydrophobicContact CD1-CD1 3.73Å; L22-F42 HydrophobicContact CD1-CE1 4.23Å; L22-F42 HydrophobicContact CD1-CG 4.19Å; L22-F42 HydrophobicContact CG-CD1 3.68Å; L22-F42 HydrophobicContact CG-CE1 3.96Å; M32-F42 CarbonylContact C-O 3.54Å; M32-F42 WeakPolarHBondContact CA-O 3.49Å; T33-F42 PolarHBondContact N-O 3.47Å; T33-F42 PolarHBondContact O-N 2.96Å; I35-F42 HydrophobicContact CD1-CD2 4.23Å; I35-F42 HydrophobicContact CD1-CE2 3.83Å; C40-F42 HydrophobicContact CB-CE2 3.66Å; C40-F42 HydrophobicContact CB-CZ 4.12Å; F42-L47 HydrophobicContact CB-CB 4.37Å; F42-L47 HydrophobicContact CD2-CD1 4.38Å; F42-P66 HydrophobicContact CD2-CG 4.44Å; F42-P66 HydrophobicContact CE1-CB 4.15Å; F42-P66 HydrophobicContact CE1-CG 4.43Å; F42-P66 HydrophobicContact CE2-CB 4.48Å; F42-P66 HydrophobicContact CE2-CG 4.02Å; F42-P66 HydrophobicContact CZ-CB 3.95Å; F42-P66 HydrophobicContact CZ-CG 3.99Å; F42-D67 HydrophobicContact CZ-CB 3.93Å |
| 43 | C | 96.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.02 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 142.1 | 172.1 | 73.6 | 0 | 0 | 0 | 0 | 109.7 | C20 F27 Q31 M32 L45 C46 L47 | C20-C43 HydrophobicContact CB-CB 4.04Å; C20-C43 PolarHBondContact SG-N 2.88Å; C20-C43 VanDerWaalsContact SG-SG 3.69Å; F27-C43 HydrophobicContact CD1-CB 4.44Å; F27-C43 HydrophobicContact CD2-CB 3.61Å; F27-C43 HydrophobicContact CE2-CB 3.8Å; F27-C43 HydrophobicContact CG-CB 3.95Å; F27-C43 HydrophobicContact CZ-CB 4.3Å; Q31-C43 CarbonylContact O-C 3.54Å; Q31-C43 WeakPolarHBondContact O-CA 3.24Å; M32-C43 WeakPolarHBondContact SD-CA 3.37Å; M32-C43 HydrophobicContact SD-CB 3.85Å; M32-C43 PolarHBondContact SD-N 3.49Å; C43-L45 PolarHBondContact O-N 3.48Å; C43-L45 VanDerWaalsContact O-N 3.15Å; C43-C46 PolarHBondContact O-N 2.77Å; C43-C46 VanDerWaalsContact O-N 3.14Å; C43-C46 PolarHBondContact SG-SG 3.09Å; C43-L47 PolarHBondContact O-N 2.73Å; C43-L47 VanDerWaalsContact O-N 3.12Å |
| 44 | S | 95.8 | Very high | 94.7 | Very high | 44 Ų | 44 | 47.8 Ų | 47.8 | 31% | 0.308 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.1 | -32.1 | -172.3 | -52.6 | 0 | 0 | 0 | 0 | 112 | Q31 T33 K48 | Q31-S44 PolarHBondContact O-N 3.17Å; Q31-S44 PolarHBondContact O-OG 3.15Å; Q31-S44 VanDerWaalsContact O-OG 3.09Å; T33-S44 WeakPolarHBondContact OG1-CB 3.37Å; T33-S44 PolarHBondContact OG1-OG 3.44Å; S44-K48 WeakPolarHBondContact O-CB 3.34Å; S44-K48 PolarHBondContact O-N 3.17Å |
| 45 | L | 95.9 | Very high | 94.6 | Very high | 113 Ų | 113 | 45.4 Ų | 45.4 | 59% | 0.592 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.2 | -49.6 | 177.1 | -176.4 | 65.6 | 0 | 0 | 0 | 112.4 | C43 K48 Q49 | C43-L45 PolarHBondContact O-N 3.48Å; C43-L45 VanDerWaalsContact O-N 3.15Å; L45-K48 PolarHBondContact O-N 3.11Å; L45-Q49 WeakPolarHBondContact O-CG 3.43Å; L45-Q49 PolarHBondContact O-N 3.07Å |
| 46 | C | 96.8 | Very high | 94.2 | Very high | 18 Ų | 18 | 51.9 Ų | 51.9 | 12% | 0.122 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.2 | -41.6 | -179.4 | -74.5 | 0 | 0 | 0 | 0 | 111.6 | L22 C23 C43 K48 Q49 Y50 | L22-C46 HydrophobicContact CB-CB 3.87Å; L22-C46 HydrophobicContact CD1-CB 3.76Å; L22-C46 HydrophobicContact CG-CB 4.48Å; C23-C46 VanDerWaalsContact CB-SG 3.52Å; C23-C46 VanDerWaalsContact SG-SG 3.63Å; C43-C46 PolarHBondContact O-N 2.77Å; C43-C46 VanDerWaalsContact O-N 3.14Å; C43-C46 PolarHBondContact SG-SG 3.09Å; C46-K48 VanDerWaalsContact C-N 3.35Å; C46-Q49 PolarHBondContact O-N 3Å; C46-Y50 WeakPolarHBondContact O-CB 3.46Å; C46-Y50 PolarHBondContact O-N 3.03Å |
| 47 | L | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 179 | -168.4 | 58 | 0 | 0 | 0 | 111.2 | T33 I35 F42 C43 Y50 V51 P66 L76 M84 | T33-L47 HydrophobicContact CG2-CD2 3.97Å; I35-L47 HydrophobicContact CD1-CD1 4.34Å; I35-L47 HydrophobicContact CG1-CD2 4.2Å; F42-L47 HydrophobicContact CB-CB 4.37Å; F42-L47 HydrophobicContact CD2-CD1 4.38Å; C43-L47 PolarHBondContact O-N 2.73Å; C43-L47 VanDerWaalsContact O-N 3.12Å; L47-Y50 HydrophobicContact CD1-CD1 4.3Å; L47-Y50 WeakPolarHBondContact O-CB 3.2Å; L47-Y50 PolarHBondContact O-N 3.22Å; L47-V51 VanDerWaalsContact O-CG2 3.25Å; L47-V51 WeakPolarHBondContact O-CG2 3.47Å; L47-V51 PolarHBondContact O-N 3.38Å; L47-P66 HydrophobicContact CD1-CG 3.77Å; L47-L76 HydrophobicContact CD1-CD2 4.21Å; L47-L76 HydrophobicContact CD2-CD2 4.48Å; L47-L76 HydrophobicContact CG-CD2 4.36Å; L47-M84 HydrophobicContact CD2-CE 3.44Å; L47-M84 VanDerWaalsContact CD2-CE 3.44Å; L47-M84 HydrophobicContact CD2-SD 4.02Å; L47-M84 HydrophobicContact CG-CE 4Å; L47-M84 HydrophobicContact CG-SD 3.88Å |
| 48 | K | 95.6 | Very high | 93 | Very high | 85 Ų | 85 | 51.3 Ų | 51.3 | 37% | 0.37 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.1 | -49.9 | 173.5 | 175.1 | 172.8 | -179.8 | 170.8 | 0 | 112.4 | S44 L45 C46 Y50 V51 E52 M84 | S44-K48 WeakPolarHBondContact O-CB 3.34Å; S44-K48 PolarHBondContact O-N 3.17Å; L45-K48 PolarHBondContact O-N 3.11Å; C46-K48 VanDerWaalsContact C-N 3.35Å; K48-Y50 VanDerWaalsContact C-N 3.3Å; K48-Y50 PolarHBondContact O-N 3.46Å; K48-V51 PolarHBondContact O-N 2.75Å; K48-E52 WeakPolarHBondContact CE-OE1 3.2Å; K48-E52 HydrophobicContact CG-CG 4.4Å; K48-E52 IonicContact NZ-OE1 3.89Å; K48-E52 WeakPolarHBondContact O-CB 3.41Å; K48-E52 WeakPolarHBondContact O-CG 3.47Å; K48-E52 PolarHBondContact O-N 3.35Å; K48-M84 WeakPolarHBondContact CD-O 3.26Å; K48-M84 WeakPolarHBondContact CE-O 3.49Å; K48-M84 WeakPolarHBondContact CG-O 3.23Å |
| 49 | Q | 95.2 | Very high | 91.5 | Very high | 109 Ų | 109 | 57.1 Ų | 57.1 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 179.5 | -74 | 175.8 | -8.8 | 0 | 0 | 111.9 | L45 C46 L53 | L45-Q49 WeakPolarHBondContact O-CG 3.43Å; L45-Q49 PolarHBondContact O-N 3.07Å; C46-Q49 PolarHBondContact O-N 3Å; Q49-L53 VanDerWaalsContact O-CB 3.29Å; Q49-L53 WeakPolarHBondContact O-CB 3.32Å; Q49-L53 PolarHBondContact O-N 3.16Å |
| 50 | Y | 94.4 | Very high | 90.3 | Very high | 57 Ų | 57 | 54.6 Ų | 54.6 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 175.8 | 171.7 | -102.5 | 0 | 0 | 0 | 112.1 | C46 L47 K48 L53 L54 I63 S64 P66 | C46-Y50 WeakPolarHBondContact O-CB 3.46Å; C46-Y50 PolarHBondContact O-N 3.03Å; L47-Y50 HydrophobicContact CD1-CD1 4.3Å; L47-Y50 WeakPolarHBondContact O-CB 3.2Å; L47-Y50 PolarHBondContact O-N 3.22Å; K48-Y50 VanDerWaalsContact C-N 3.3Å; K48-Y50 PolarHBondContact O-N 3.46Å; Y50-L53 PolarHBondContact O-N 2.9Å; Y50-L54 HydrophobicContact CD1-CD1 4.22Å; Y50-L54 HydrophobicContact CD2-CD1 4.26Å; Y50-L54 HydrophobicContact CE1-CD1 3.56Å; Y50-L54 HydrophobicContact CE2-CD1 3.61Å; Y50-L54 HydrophobicContact CE2-CG 4.2Å; Y50-L54 PolarHBondContact O-N 2.82Å; Y50-L54 WeakPolarHBondContact OH-CD1 3.5Å; Y50-I63 HydrophobicContact CD1-CG2 4.39Å; Y50-I63 HydrophobicContact CE1-CG2 3.8Å; Y50-S64 VanDerWaalsContact CE1-O 3.29Å; Y50-S64 WeakPolarHBondContact CE1-O 3.38Å; Y50-S64 PolarHBondContact OH-O 3.37Å; Y50-P66 HydrophobicContact CD1-CG 3.72Å; Y50-P66 HydrophobicContact CE1-CB 4.36Å; Y50-P66 HydrophobicContact CE1-CG 3.68Å; Y50-P66 HydrophobicContact CE2-CB 4.41Å; Y50-P66 HydrophobicContact CG-CG 4.15Å |
| 51 | V | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 178.3 | 171.4 | 0 | 0 | 0 | 0 | 111 | L47 K48 L53 L54 I55 I63 L76 I81 M84 V85 | L47-V51 VanDerWaalsContact O-CG2 3.25Å; L47-V51 WeakPolarHBondContact O-CG2 3.47Å; L47-V51 PolarHBondContact O-N 3.38Å; K48-V51 PolarHBondContact O-N 2.75Å; V51-L53 VanDerWaalsContact C-N 3.31Å; V51-L53 PolarHBondContact O-N 3Å; V51-L54 PolarHBondContact O-N 3.24Å; V51-I55 HydrophobicContact CG1-CD1 3.66Å; V51-I55 HydrophobicContact CG1-CG1 4.48Å; V51-I55 VanDerWaalsContact O-CG1 3.27Å; V51-I55 WeakPolarHBondContact O-CG1 3.4Å; V51-I55 PolarHBondContact O-N 3.42Å; V51-I63 HydrophobicContact CB-CD1 4.49Å; V51-I63 HydrophobicContact CG1-CD1 3.8Å; V51-I63 HydrophobicContact CG2-CG2 4.34Å; V51-L76 HydrophobicContact CG2-CD2 3.53Å; V51-I81 HydrophobicContact CG1-CG1 4.35Å; V51-I81 HydrophobicContact CG1-CG2 3.9Å; V51-M84 HydrophobicContact CG2-SD 4.06Å; V51-V85 HydrophobicContact CB-CG1 4.43Å; V51-V85 HydrophobicContact CG1-CG1 3.53Å |
| 52 | E | 93.9 | Very high | 89.2 | Confident | 40 Ų | 40 | 53.6 Ų | 53.6 | 19% | 0.187 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 178.4 | -73.8 | -178 | 179.1 | 0 | 0 | 112.5 | K48 K56 V85 | K48-E52 WeakPolarHBondContact CE-OE1 3.2Å; K48-E52 HydrophobicContact CG-CG 4.4Å; K48-E52 IonicContact NZ-OE1 3.89Å; K48-E52 WeakPolarHBondContact O-CB 3.41Å; K48-E52 WeakPolarHBondContact O-CG 3.47Å; K48-E52 PolarHBondContact O-N 3.35Å; E52-K56 WeakPolarHBondContact O-CB 3.49Å; E52-K56 WeakPolarHBondContact O-CD 3.4Å; E52-K56 WeakPolarHBondContact O-CG 3.42Å; E52-K56 PolarHBondContact O-N 3.23Å; E52-V85 HydrophobicContact CG-CG1 3.99Å |
| 53 | L | 91.9 | Very high | 88.9 | Confident | 93 Ų | 93 | 53.7 Ų | 53.7 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.7 | -50.3 | 177.3 | -177.5 | 70.5 | 0 | 0 | 0 | 110.8 | Q49 Y50 V51 I55 K56 E57 | Q49-L53 VanDerWaalsContact O-CB 3.29Å; Q49-L53 WeakPolarHBondContact O-CB 3.32Å; Q49-L53 PolarHBondContact O-N 3.16Å; Y50-L53 PolarHBondContact O-N 2.9Å; V51-L53 VanDerWaalsContact C-N 3.31Å; V51-L53 PolarHBondContact O-N 3Å; L53-I55 VanDerWaalsContact C-N 3.33Å; L53-I55 PolarHBondContact O-N 3.4Å; L53-K56 WeakPolarHBondContact O-CB 2.88Å; L53-K56 PolarHBondContact O-N 3.02Å; L53-K56 VanDerWaalsContact O-N 3.12Å; L53-E57 WeakPolarHBondContact O-CG 3.25Å; L53-E57 PolarHBondContact O-N 3.47Å |
| 54 | L | 90.3 | Very high | 88.7 | Confident | 34 Ų | 34 | 55 Ų | 55 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -37.3 | -178.6 | -71.8 | -179.2 | 0 | 0 | 0 | 112.9 | Y50 V51 K56 E57 G58 I63 | Y50-L54 HydrophobicContact CD1-CD1 4.22Å; Y50-L54 HydrophobicContact CD2-CD1 4.26Å; Y50-L54 HydrophobicContact CE1-CD1 3.56Å; Y50-L54 HydrophobicContact CE2-CD1 3.61Å; Y50-L54 HydrophobicContact CE2-CG 4.2Å; Y50-L54 PolarHBondContact O-N 2.82Å; Y50-L54 WeakPolarHBondContact OH-CD1 3.5Å; V51-L54 PolarHBondContact O-N 3.24Å; L54-K56 VanDerWaalsContact C-N 3.32Å; L54-E57 PolarHBondContact O-N 2.97Å; L54-G58 PolarHBondContact O-N 3.44Å; L54-I63 HydrophobicContact CD1-CG2 3.7Å |
| 55 | I | 91.8 | Very high | 88.6 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 174.1 | -67.2 | 167.6 | 0 | 0 | 0 | 110.6 | V51 L53 G58 I63 I81 V85 V89 H92 Y93 L96 | V51-I55 HydrophobicContact CG1-CD1 3.66Å; V51-I55 HydrophobicContact CG1-CG1 4.48Å; V51-I55 VanDerWaalsContact O-CG1 3.27Å; V51-I55 WeakPolarHBondContact O-CG1 3.4Å; V51-I55 PolarHBondContact O-N 3.42Å; L53-I55 VanDerWaalsContact C-N 3.33Å; L53-I55 PolarHBondContact O-N 3.4Å; I55-G58 PolarHBondContact O-N 2.95Å; I55-I63 HydrophobicContact CD1-CD1 4.04Å; I55-I63 HydrophobicContact CG1-CD1 3.76Å; I55-I81 HydrophobicContact CD1-CG2 3.9Å; I55-V85 HydrophobicContact CD1-CG1 4.05Å; I55-V89 HydrophobicContact CB-CG1 4.09Å; I55-V89 HydrophobicContact CD1-CG1 3.86Å; I55-V89 HydrophobicContact CG2-CG1 3.66Å; I55-H92 HydrophobicContact CG2-CB 4.46Å; I55-H92 PolarHBondContact O-CD2 3.15Å; I55-Y93 HydrophobicContact CD1-CD2 4.28Å; I55-Y93 HydrophobicContact CD1-CG 4.24Å; I55-Y93 HydrophobicContact CG1-CD2 3.86Å; I55-Y93 HydrophobicContact CG1-CG 4.26Å; I55-L96 WeakPolarHBondContact O-CD1 3.42Å |
| 56 | K | 88 | Confident | 88.5 | Confident | 138 Ų | 138 | 49.5 Ų | 49.5 | 60% | 0.6 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -69.3 | -35.7 | 177.5 | -74.2 | 169.7 | -174.8 | 170.9 | 0 | 113 | E52 L53 L54 | E52-K56 WeakPolarHBondContact O-CB 3.49Å; E52-K56 WeakPolarHBondContact O-CD 3.4Å; E52-K56 WeakPolarHBondContact O-CG 3.42Å; E52-K56 PolarHBondContact O-N 3.23Å; L53-K56 WeakPolarHBondContact O-CB 2.88Å; L53-K56 PolarHBondContact O-N 3.02Å; L53-K56 VanDerWaalsContact O-N 3.12Å; L54-K56 VanDerWaalsContact C-N 3.32Å |
| 57 | E | 86.1 | Confident | 88.2 | Confident | 103 Ų | 103 | 49.6 Ų | 49.6 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.4 | -29.9 | 177.1 | -73 | -179.7 | 175.7 | 0 | 0 | 112.2 | L53 L54 L59 | L53-E57 WeakPolarHBondContact O-CG 3.25Å; L53-E57 PolarHBondContact O-N 3.47Å; L54-E57 PolarHBondContact O-N 2.97Å; E57-L59 HydrophobicContact CB-CG 4.45Å; E57-L59 PolarHBondContact O-N 3.13Å |
| 58 | G | 77.4 | Confident | 87.8 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | trans | 66.1 | 9.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L54 I55 | L54-G58 PolarHBondContact O-N 3.44Å; I55-G58 PolarHBondContact O-N 2.95Å | ||
| 59 | L | 63.1 | Low | 87.4 | Confident | 130 Ų | 130 | 56.5 Ų | 56.5 | 68% | 0.681 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -75.2 | -25.1 | -176.2 | -67 | 173.5 | 0 | 0 | 0 | 113.2 | E57 | E57-L59 HydrophobicContact CB-CG 4.45Å; E57-L59 PolarHBondContact O-N 3.13Å |
| 60 | E | 69.4 | Low | 87.1 | Confident | 64 Ų | 64 | 51.7 Ų | 51.7 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | trans | -143.6 | 126.9 | -179.2 | -177.6 | 163 | -117.6 | 0 | 0 | 111.2 | A62 K209 | E60-A62 VanDerWaalsContact C-N 3.34Å; E60-A62 HydrophobicContact CG-CB 4.43Å; E60-A62 WeakPolarHBondContact CG-O 3.16Å; E60-K209 IonicContact OE1-NZ 2.6Å | ||
| 61 | T | 77.5 | Confident | 86.7 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 14% | 0.141 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -85.9 | -4.7 | 178 | 67.1 | 0 | 0 | 0 | 0 | 113.9 | Y93 L96 R100 | T61-Y93 VanDerWaalsContact O-CE2 3.31Å; T61-Y93 WeakPolarHBondContact O-CE2 3.48Å; T61-Y93 PolarHBondContact O-OH 3.02Å; T61-L96 HydrophobicContact CG2-CB 4.21Å; T61-L96 WeakPolarHBondContact CG2-O 3.29Å; T61-R100 HydrophobicContact CG2-CB 3.88Å; T61-R100 HydrophobicContact CG2-CG 4.38Å; T61-R100 WeakPolarHBondContact OG1-CD 3.39Å; T61-R100 PolarHBondContact OG1-NH1 2.8Å |
| 62 | A | 86.5 | Confident | 86.5 | Confident | 38 Ų | 38 | 61.2 Ų | 61.2 | 31% | 0.314 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -116.3 | 95.7 | 179 | 0 | 0 | 0 | 0 | 0 | 108.6 | E60 S64 | E60-A62 VanDerWaalsContact C-N 3.34Å; E60-A62 HydrophobicContact CG-CB 4.43Å; E60-A62 WeakPolarHBondContact CG-O 3.16Å; A62-S64 PolarHBondContact O-N 3.17Å; A62-S64 VanDerWaalsContact O-N 3.13Å |
| 63 | I | 90.9 | Very high | 86.3 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | trans | -71.1 | 112.3 | -172.4 | -54.6 | -175 | 0 | 0 | 0 | 109.4 | Y50 V51 L54 I55 H75 L76 I81 Y93 | Y50-I63 HydrophobicContact CD1-CG2 4.39Å; Y50-I63 HydrophobicContact CE1-CG2 3.8Å; V51-I63 HydrophobicContact CB-CD1 4.49Å; V51-I63 HydrophobicContact CG1-CD1 3.8Å; V51-I63 HydrophobicContact CG2-CG2 4.34Å; L54-I63 HydrophobicContact CD1-CG2 3.7Å; I55-I63 HydrophobicContact CD1-CD1 4.04Å; I55-I63 HydrophobicContact CG1-CD1 3.76Å; I63-H75 CarbonylContact O-C 3.55Å; I63-H75 VanDerWaalsContact O-CA 3.29Å; I63-H75 WeakPolarHBondContact O-CA 3.32Å; I63-H75 WeakPolarHBondContact O-CB 3.42Å; I63-L76 HydrophobicContact CB-CB 4.44Å; I63-L76 HydrophobicContact CB-CD1 4.42Å; I63-L76 HydrophobicContact CG2-CD1 3.87Å; I63-L76 PolarHBondContact O-N 2.96Å; I63-I81 HydrophobicContact CB-CD1 4.42Å; I63-I81 HydrophobicContact CD1-CD1 3.75Å; I63-I81 HydrophobicContact CD1-CG1 4.18Å; I63-I81 HydrophobicContact CG1-CD1 4.16Å; I63-Y93 HydrophobicContact CD1-CE2 4.16Å; I63-Y93 HydrophobicContact CG1-CE2 4.16Å | ||
| 64 | S | 92.1 | Very high | 86.2 | Confident | 32 Ų | 32 | 62.4 Ų | 62.4 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -78.7 | 160.4 | -177.4 | -60 | 0 | 0 | 0 | 0 | 112.3 | Y50 A62 H75 | Y50-S64 VanDerWaalsContact CE1-O 3.29Å; Y50-S64 WeakPolarHBondContact CE1-O 3.38Å; Y50-S64 PolarHBondContact OH-O 3.37Å; A62-S64 PolarHBondContact O-N 3.17Å; A62-S64 VanDerWaalsContact O-N 3.13Å; S64-H75 PolarHBondContact OG-CE1 3.39Å; S64-H75 VanDerWaalsContact OG-CE1 3.28Å; S64-H75 PolarHBondContact OG-ND1 3.18Å |
| 65 | C | 94.3 | Very high | 86.3 | Confident | 14 Ų | 14 | 64 Ų | 64 | 10% | 0.095 | 36% | 0.355 | C | S | . | . | trans | -59 | 135.4 | 172.7 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | I35 C38 D67 C70 G74 | I35-C65 HydrophobicContact CD1-CB 4.25Å; C38-C65 VanDerWaalsContact SG-SG 3.67Å; C65-D67 PolarHBondContact O-N 3.04Å; C65-D67 PolarHBondContact SG-N 3.39Å; C65-C70 HydrophobicContact CB-CB 4.33Å; C65-G74 VanDerWaalsContact CB-O 3.23Å; C65-G74 WeakPolarHBondContact CB-O 3.44Å; C65-G74 PolarHBondContact N-O 3.12Å | ||
| 66 | P | 93.4 | Very high | 86.4 | Confident | 26 Ų | 26 | 64.3 Ų | 64.3 | 17% | 0.169 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -64.9 | -19.9 | 177.7 | -17.1 | 25.9 | 0 | 0 | 0 | 114.6 | L22 F42 L47 Y50 S68 | L22-P66 HydrophobicContact CD1-CB 4Å; L22-P66 HydrophobicContact CD1-CG 4.17Å; L22-P66 HydrophobicContact CD2-CB 3.88Å; L22-P66 HydrophobicContact CG-CB 4.34Å; F42-P66 HydrophobicContact CD2-CG 4.44Å; F42-P66 HydrophobicContact CE1-CB 4.15Å; F42-P66 HydrophobicContact CE1-CG 4.43Å; F42-P66 HydrophobicContact CE2-CB 4.48Å; F42-P66 HydrophobicContact CE2-CG 4.02Å; F42-P66 HydrophobicContact CZ-CB 3.95Å; F42-P66 HydrophobicContact CZ-CG 3.99Å; L47-P66 HydrophobicContact CD1-CG 3.77Å; Y50-P66 HydrophobicContact CD1-CG 3.72Å; Y50-P66 HydrophobicContact CE1-CB 4.36Å; Y50-P66 HydrophobicContact CE1-CG 3.68Å; Y50-P66 HydrophobicContact CE2-CB 4.41Å; Y50-P66 HydrophobicContact CG-CG 4.15Å; P66-S68 PolarHBondContact O-N 3.47Å |
| 67 | D | 91.4 | Very high | 86.7 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | trans | -80.5 | 110.2 | -179.9 | -172 | -14.7 | 0 | 0 | 0 | 110.2 | K21 F42 C65 T69 C70 | K21-D67 IonicContact NZ-OD2 2.71Å; K21-D67 PolarHBondContact NZ-OD2 3.28Å; F42-D67 HydrophobicContact CZ-CB 3.93Å; C65-D67 PolarHBondContact O-N 3.04Å; C65-D67 PolarHBondContact SG-N 3.39Å; D67-T69 PolarHBondContact O-N 2.93Å; D67-T69 WeakPolarHBondContact OD1-CA 3.45Å; D67-T69 WeakPolarHBondContact OD1-CB 3.42Å; D67-T69 PolarHBondContact OD1-N 2.94Å; D67-T69 PolarHBondContact OD1-OG1 3.44Å; D67-C70 HydrophobicContact CB-CB 4.14Å; D67-C70 WeakPolarHBondContact O-CB 3.49Å; D67-C70 PolarHBondContact O-N 2.92Å; D67-C70 PolarHBondContact OD1-N 3.15Å | ||
| 68 | S | 85.6 | Confident | 87 | Confident | 124 Ų | 124 | 59.9 Ų | 59.9 | 87% | 0.867 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -18.7 | 177.1 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | P66 | P66-S68 PolarHBondContact O-N 3.47Š|
| 69 | T | 87.5 | Confident | 87.8 | Confident | 108 Ų | 108 | 63.1 Ų | 63.1 | 66% | 0.663 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 10.3 | 175.8 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | D67 P71 | D67-T69 PolarHBondContact O-N 2.93Å; D67-T69 WeakPolarHBondContact OD1-CA 3.45Å; D67-T69 WeakPolarHBondContact OD1-CB 3.42Å; D67-T69 PolarHBondContact OD1-N 2.94Å; D67-T69 PolarHBondContact OD1-OG1 3.44Å; T69-P71 WeakPolarHBondContact O-CD 3.46Å; T69-P71 VanDerWaalsContact O-N 3.14Å |
| 70 | C | 90 | Very high | 89.3 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | trans | -57.7 | 116.5 | 178.5 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | C38 C40 C65 D67 K72 Q73 | C38-C70 WeakPolarHBondContact CB-SG 3.47Å; C40-C70 VanDerWaalsContact SG-SG 3.65Å; C65-C70 HydrophobicContact CB-CB 4.33Å; D67-C70 HydrophobicContact CB-CB 4.14Å; D67-C70 WeakPolarHBondContact O-CB 3.49Å; D67-C70 PolarHBondContact O-N 2.92Å; D67-C70 PolarHBondContact OD1-N 3.15Å; C70-K72 PolarHBondContact O-N 2.8Å; C70-Q73 PolarHBondContact O-N 2.96Å; C70-Q73 PolarHBondContact SG-N 2.87Å | ||
| 71 | P | 86.3 | Confident | 90.5 | Very high | 123 Ų | 123 | 54.8 Ų | 54.8 | 80% | 0.799 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26.8 | -174.9 | 26.2 | -34.5 | 0 | 0 | 0 | 112.7 | T69 | T69-P71 WeakPolarHBondContact O-CD 3.46Å; T69-P71 VanDerWaalsContact O-N 3.14Å |
| 72 | K | 89.6 | Confident | 91.3 | Very high | 135 Ų | 135 | 58.8 Ų | 58.8 | 59% | 0.587 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -9.6 | -178.8 | -69.7 | 177.6 | 172.4 | -177.7 | 0 | 113.4 | Q37 C38 C70 G74 | Q37-K72 WeakPolarHBondContact O-CD 3.44Å; C38-K72 HydrophobicContact CB-CB 3.97Å; C70-K72 PolarHBondContact O-N 2.8Å; K72-G74 PolarHBondContact O-N 3.48Å; K72-G74 VanDerWaalsContact O-N 3.1Å |
| 73 | Q | 88.9 | Confident | 91.5 | Very high | 155 Ų | 155 | 62.7 Ų | 62.7 | 72% | 0.724 | 35% | 0.348 | S | S | * | . | trans | 44.1 | 44.7 | -175.3 | -61.5 | 179.4 | -15.6 | 0 | 0 | 112.3 | C70 | C70-Q73 PolarHBondContact O-N 2.96Å; C70-Q73 PolarHBondContact SG-N 2.87Å | ||
| 74 | G | 89.7 | Confident | 91.6 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | trans | -69.1 | 159.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C65 K72 | C65-G74 VanDerWaalsContact CB-O 3.23Å; C65-G74 WeakPolarHBondContact CB-O 3.44Å; C65-G74 PolarHBondContact N-O 3.12Å; K72-G74 PolarHBondContact O-N 3.48Å; K72-G74 VanDerWaalsContact O-N 3.1Å | ||
| 75 | H | 93.1 | Very high | 91.7 | Very high | 69 Ų | 69 | 62.9 Ų | 62.9 | 32% | 0.319 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -112.3 | 155.6 | 172.6 | -58.8 | -87.2 | 0 | 0 | 0 | 110.6 | Q37 I63 S64 | Q37-H75 VanDerWaalsContact CG-O 3.29Å; Q37-H75 WeakPolarHBondContact CG-O 3.29Å; Q37-H75 PolarHBondContact NE2-O 2.94Å; Q37-H75 PolarHBondContact OE1-O 3.22Å; I63-H75 CarbonylContact O-C 3.55Å; I63-H75 VanDerWaalsContact O-CA 3.29Å; I63-H75 WeakPolarHBondContact O-CA 3.32Å; I63-H75 WeakPolarHBondContact O-CB 3.42Å; S64-H75 PolarHBondContact OG-CE1 3.39Å; S64-H75 VanDerWaalsContact OG-CE1 3.28Å; S64-H75 PolarHBondContact OG-ND1 3.18Å |
| 76 | L | 94.1 | Very high | 91.6 | Very high | 8 Ų | 8 | 64.8 Ų | 64.8 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | trans | -74.9 | 135.3 | 171 | -73.3 | 85.2 | 0 | 0 | 0 | 109.8 | I35 L47 V51 I63 I81 M84 | I35-L76 HydrophobicContact CD1-CD1 4.02Å; I35-L76 HydrophobicContact CD1-CG 4.4Å; I35-L76 HydrophobicContact CG1-CG 4.42Å; I35-L76 HydrophobicContact CG2-CG 4.44Å; L47-L76 HydrophobicContact CD1-CD2 4.21Å; L47-L76 HydrophobicContact CD2-CD2 4.48Å; L47-L76 HydrophobicContact CG-CD2 4.36Å; V51-L76 HydrophobicContact CG2-CD2 3.53Å; I63-L76 HydrophobicContact CB-CB 4.44Å; I63-L76 HydrophobicContact CB-CD1 4.42Å; I63-L76 HydrophobicContact CG2-CD1 3.87Å; I63-L76 PolarHBondContact O-N 2.96Å; L76-I81 HydrophobicContact CB-CD1 4.19Å; L76-I81 HydrophobicContact CB-CG1 3.96Å; L76-I81 HydrophobicContact CD2-CG1 4.49Å; L76-M84 HydrophobicContact CD2-CE 4.31Å; L76-M84 HydrophobicContact CD2-SD 4.05Å | ||
| 77 | L | 94.1 | Very high | 91.6 | Very high | 64 Ų | 64 | 66 Ų | 66 | 34% | 0.335 | 38% | 0.382 | S | S | . | . | trans | -79.2 | 157.1 | 175.9 | -62.4 | 172 | 0 | 0 | 0 | 111 | Q37 N79 E80 I81 | Q37-L77 HydrophobicContact CG-CD2 4.35Å; Q37-L77 HydrophobicContact CG-CG 4.4Å; L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 WeakPolarHBondContact CB-OD1 3.49Å; L77-N79 PolarHBondContact O-N 3.43Å; L77-E80 HydrophobicContact CB-CG 4.15Å; L77-E80 PolarHBondContact N-OE2 2.99Å; L77-E80 WeakPolarHBondContact O-CB 3.25Å; L77-E80 PolarHBondContact O-N 2.95Å; L77-I81 WeakPolarHBondContact O-CG1 3.02Å; L77-I81 PolarHBondContact O-N 3.2Å | ||
| 78 | E | 92.9 | Very high | 91.7 | Very high | 85 Ų | 85 | 72.8 Ų | 72.8 | 40% | 0.397 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.4 | -41 | -178.6 | -170.7 | -178.7 | 164.8 | 0 | 0 | 112.6 | E80 I81 E82 M90 K94 | E78-E80 VanDerWaalsContact C-N 3.31Å; E78-E80 PolarHBondContact O-N 3.44Å; E78-I81 PolarHBondContact O-N 3.05Å; E78-E82 WeakPolarHBondContact O-CB 3.33Å; E78-E82 PolarHBondContact O-N 3.2Å; E78-M90 HydrophobicContact CG-CE 3.37Å; E78-K94 WeakPolarHBondContact OE1-CE 3.39Å; E78-K94 IonicContact OE1-NZ 3.41Å; E78-K94 PolarHBondContact OE1-NZ 2.9Å |
| 79 | N | 93.6 | Very high | 92 | Very high | 97 Ų | 97 | 68.2 Ų | 68.2 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.7 | -31.1 | 176.6 | 64.7 | -43.9 | 0 | 0 | 0 | 113 | L77 C83 | L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 WeakPolarHBondContact CB-OD1 3.49Å; L77-N79 PolarHBondContact O-N 3.43Å; N79-C83 PolarHBondContact O-N 2.97Å; N79-C83 PolarHBondContact O-SG 3.37Å; N79-C83 VanDerWaalsContact O-SG 3.35Å |
| 80 | E | 94.3 | Very high | 92.3 | Very high | 19 Ų | 19 | 63.5 Ų | 63.5 | 9% | 0.089 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.3 | -42.4 | 174.4 | -64 | 175.7 | 136.5 | 0 | 0 | 110.3 | S36 L77 E78 C83 M84 | S36-E80 WeakPolarHBondContact CB-OE1 3.4Å; S36-E80 PolarHBondContact N-OE1 2.88Å; S36-E80 PolarHBondContact OG-OE1 3.17Å; L77-E80 HydrophobicContact CB-CG 4.15Å; L77-E80 PolarHBondContact N-OE2 2.99Å; L77-E80 WeakPolarHBondContact O-CB 3.25Å; L77-E80 PolarHBondContact O-N 2.95Å; E78-E80 VanDerWaalsContact C-N 3.31Å; E78-E80 PolarHBondContact O-N 3.44Å; E80-C83 PolarHBondContact O-N 3.47Å; E80-M84 HydrophobicContact CB-CE 4.44Å; E80-M84 VanDerWaalsContact O-CG 3.29Å; E80-M84 WeakPolarHBondContact O-CG 3.36Å; E80-M84 PolarHBondContact O-N 2.94Å |
| 81 | I | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64 | -46.4 | 177.5 | -64.7 | 165.1 | 0 | 0 | 0 | 110.5 | V51 I55 I63 L76 L77 E78 C83 M84 V85 M90 Y93 | V51-I81 HydrophobicContact CG1-CG1 4.35Å; V51-I81 HydrophobicContact CG1-CG2 3.9Å; I55-I81 HydrophobicContact CD1-CG2 3.9Å; I63-I81 HydrophobicContact CB-CD1 4.42Å; I63-I81 HydrophobicContact CD1-CD1 3.75Å; I63-I81 HydrophobicContact CD1-CG1 4.18Å; I63-I81 HydrophobicContact CG1-CD1 4.16Å; L76-I81 HydrophobicContact CB-CD1 4.19Å; L76-I81 HydrophobicContact CB-CG1 3.96Å; L76-I81 HydrophobicContact CD2-CG1 4.49Å; L77-I81 WeakPolarHBondContact O-CG1 3.02Å; L77-I81 PolarHBondContact O-N 3.2Å; E78-I81 PolarHBondContact O-N 3.05Å; I81-C83 VanDerWaalsContact C-N 3.26Å; I81-C83 PolarHBondContact O-N 3.42Å; I81-M84 PolarHBondContact O-N 3.16Å; I81-V85 HydrophobicContact CG2-CG1 4.4Å; I81-V85 HydrophobicContact CG2-CG2 4.22Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 3.41Å; I81-V85 VanDerWaalsContact O-N 3.09Å; I81-M90 HydrophobicContact CG2-SD 3.95Å; I81-Y93 HydrophobicContact CD1-CE1 3.77Å; I81-Y93 HydrophobicContact CD1-CE2 4.31Å; I81-Y93 WeakPolarHBondContact CD1-OH 3.4Å; I81-Y93 HydrophobicContact CG2-CD1 4.27Å; I81-Y93 HydrophobicContact CG2-CE1 4.4Å |
| 82 | E | 94.1 | Very high | 92.6 | Very high | 107 Ų | 107 | 67.1 Ų | 67.1 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.1 | -36.8 | -179.6 | -173.8 | 167.9 | -144.9 | 0 | 0 | 112.5 | E78 M84 M90 | E78-E82 WeakPolarHBondContact O-CB 3.33Å; E78-E82 PolarHBondContact O-N 3.2Å; E82-M84 VanDerWaalsContact C-N 3.31Å; E82-M84 PolarHBondContact O-N 3.45Å; E82-M90 HydrophobicContact CB-CE 3.94Å; E82-M90 HydrophobicContact CB-SD 4.16Å; E82-M90 HydrophobicContact CG-CG 4.43Å |
| 83 | C | 91.8 | Very high | 92.8 | Very high | 119 Ų | 119 | 61.1 Ų | 61.1 | 80% | 0.804 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -71.9 | -22.5 | 175.4 | -72.4 | 0 | 0 | 0 | 0 | 113.7 | N79 E80 I81 | N79-C83 PolarHBondContact O-N 2.97Å; N79-C83 PolarHBondContact O-SG 3.37Å; N79-C83 VanDerWaalsContact O-SG 3.35Å; E80-C83 PolarHBondContact O-N 3.47Å; I81-C83 VanDerWaalsContact C-N 3.26Å; I81-C83 PolarHBondContact O-N 3.42Å |
| 84 | M | 92.4 | Very high | 92.8 | Very high | 23 Ų | 23 | 58 Ų | 58 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -93.3 | -31.4 | -175 | -69 | 174.2 | -167.8 | 0 | 0 | 113.2 | T33 L47 K48 V51 L76 E80 I81 E82 | T33-M84 HydrophobicContact CG2-CE 3.44Å; T33-M84 VanDerWaalsContact CG2-CE 3.44Å; L47-M84 HydrophobicContact CD2-CE 3.44Å; L47-M84 VanDerWaalsContact CD2-CE 3.44Å; L47-M84 HydrophobicContact CD2-SD 4.02Å; L47-M84 HydrophobicContact CG-CE 4Å; L47-M84 HydrophobicContact CG-SD 3.88Å; K48-M84 WeakPolarHBondContact CD-O 3.26Å; K48-M84 WeakPolarHBondContact CE-O 3.49Å; K48-M84 WeakPolarHBondContact CG-O 3.23Å; V51-M84 HydrophobicContact CG2-SD 4.06Å; L76-M84 HydrophobicContact CD2-CE 4.31Å; L76-M84 HydrophobicContact CD2-SD 4.05Å; E80-M84 HydrophobicContact CB-CE 4.44Å; E80-M84 VanDerWaalsContact O-CG 3.29Å; E80-M84 WeakPolarHBondContact O-CG 3.36Å; E80-M84 PolarHBondContact O-N 2.94Å; I81-M84 PolarHBondContact O-N 3.16Å; E82-M84 VanDerWaalsContact C-N 3.31Å; E82-M84 PolarHBondContact O-N 3.45Å |
| 85 | V | 93.8 | Very high | 92.8 | Very high | 15 Ų | 15 | 64.3 Ų | 64.3 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -109.5 | 157.6 | -170.6 | -52.5 | 0 | 0 | 0 | 0 | 112.9 | V51 E52 I55 I81 V89 M90 | V51-V85 HydrophobicContact CB-CG1 4.43Å; V51-V85 HydrophobicContact CG1-CG1 3.53Å; E52-V85 HydrophobicContact CG-CG1 3.99Å; I55-V85 HydrophobicContact CD1-CG1 4.05Å; I81-V85 HydrophobicContact CG2-CG1 4.4Å; I81-V85 HydrophobicContact CG2-CG2 4.22Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 3.41Å; I81-V85 VanDerWaalsContact O-N 3.09Å; V85-V89 HydrophobicContact CB-CB 4.01Å; V85-V89 HydrophobicContact CB-CG1 3.89Å; V85-V89 HydrophobicContact CG1-CG1 4.15Å; V85-V89 HydrophobicContact CG2-CB 4.2Å; V85-V89 HydrophobicContact CG2-CG1 4.17Å; V85-M90 HydrophobicContact CG2-CB 3.86Å; V85-M90 HydrophobicContact CG2-SD 4.23Å |
| 86 | A | 94.1 | Very high | 92.5 | Very high | 55 Ų | 55 | 62.2 Ų | 62.2 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | trans | -69.2 | 155.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E88 V89 M90 | A86-E88 VanDerWaalsContact C-N 3.26Å; A86-E88 PolarHBondContact O-N 3.39Å; A86-E88 VanDerWaalsContact O-N 3.16Å; A86-V89 PolarHBondContact O-N 3.37Å; A86-M90 PolarHBondContact O-N 2.9Å | ||
| 87 | G | 92.8 | Very high | 92.3 | Very high | 52 Ų | 52 | 64 Ų | 64 | 54% | 0.536 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -54.8 | -36.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | M90 Q91 | G87-M90 PolarHBondContact O-N 2.85Å; G87-Q91 VanDerWaalsContact O-CG 3.32Å; G87-Q91 WeakPolarHBondContact O-CG 3.12Å; G87-Q91 PolarHBondContact O-N 3.13Å |
| 88 | E | 92.8 | Very high | 91.9 | Very high | 161 Ų | 161 | 64.9 Ų | 64.9 | 75% | 0.752 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 176.1 | -64.1 | -179.4 | 177.5 | 0 | 0 | 112.4 | A86 Q91 H92 | A86-E88 VanDerWaalsContact C-N 3.26Å; A86-E88 PolarHBondContact O-N 3.39Å; A86-E88 VanDerWaalsContact O-N 3.16Å; E88-Q91 PolarHBondContact O-N 2.92Å; E88-H92 PolarHBondContact O-N 2.83Å |
| 89 | V | 92.1 | Very high | 91.5 | Very high | 28 Ų | 28 | 64 Ų | 64 | 17% | 0.17 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68 | -39.3 | 177 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | I55 V85 A86 H92 Y93 | I55-V89 HydrophobicContact CB-CG1 4.09Å; I55-V89 HydrophobicContact CD1-CG1 3.86Å; I55-V89 HydrophobicContact CG2-CG1 3.66Å; V85-V89 HydrophobicContact CB-CB 4.01Å; V85-V89 HydrophobicContact CB-CG1 3.89Å; V85-V89 HydrophobicContact CG1-CG1 4.15Å; V85-V89 HydrophobicContact CG2-CB 4.2Å; V85-V89 HydrophobicContact CG2-CG1 4.17Å; A86-V89 PolarHBondContact O-N 3.37Å; V89-H92 WeakPolarHBondContact O-CB 3.45Å; V89-H92 PolarHBondContact O-N 2.94Å; V89-Y93 PolarHBondContact O-N 3Å |
| 90 | M | 94.2 | Very high | 90.9 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 4% | 0.044 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 175.3 | -169.5 | 60.2 | -175.9 | 0 | 0 | 112.1 | E78 I81 E82 V85 A86 G87 H92 Y93 K94 | E78-M90 HydrophobicContact CG-CE 3.37Å; I81-M90 HydrophobicContact CG2-SD 3.95Å; E82-M90 HydrophobicContact CB-CE 3.94Å; E82-M90 HydrophobicContact CB-SD 4.16Å; E82-M90 HydrophobicContact CG-CG 4.43Å; V85-M90 HydrophobicContact CG2-CB 3.86Å; V85-M90 HydrophobicContact CG2-SD 4.23Å; A86-M90 PolarHBondContact O-N 2.9Å; G87-M90 PolarHBondContact O-N 2.85Å; M90-H92 VanDerWaalsContact C-N 3.3Å; M90-H92 PolarHBondContact O-N 3.07Å; M90-Y93 HydrophobicContact CE-CD1 4.1Å; M90-Y93 WeakPolarHBondContact O-CB 3.45Å; M90-Y93 PolarHBondContact O-N 3.35Å; M90-Y93 HydrophobicContact SD-CD1 4.02Å; M90-K94 HydrophobicContact CE-CG 4.44Å; M90-K94 WeakPolarHBondContact O-CG 3.03Å; M90-K94 PolarHBondContact O-N 2.73Å |
| 91 | Q | 92.1 | Very high | 90.5 | Very high | 137 Ų | 137 | 65.8 Ų | 65.8 | 64% | 0.64 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.5 | -39.2 | 174.2 | -75.6 | 176.8 | -1.5 | 0 | 0 | 111.8 | G87 E88 K94 R95 | G87-Q91 VanDerWaalsContact O-CG 3.32Å; G87-Q91 WeakPolarHBondContact O-CG 3.12Å; G87-Q91 PolarHBondContact O-N 3.13Å; E88-Q91 PolarHBondContact O-N 2.92Å; Q91-K94 PolarHBondContact O-N 2.91Å; Q91-R95 PolarHBondContact O-N 3.28Å |
| 92 | H | 90.9 | Very high | 90 | Very high | 70 Ų | 70 | 65.9 Ų | 65.9 | 32% | 0.324 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 173.9 | -170.8 | 59.4 | 0 | 0 | 0 | 111.6 | I55 E88 V89 M90 K94 R95 L96 | I55-H92 HydrophobicContact CG2-CB 4.46Å; I55-H92 PolarHBondContact O-CD2 3.15Å; E88-H92 PolarHBondContact O-N 2.83Å; V89-H92 WeakPolarHBondContact O-CB 3.45Å; V89-H92 PolarHBondContact O-N 2.94Å; M90-H92 VanDerWaalsContact C-N 3.3Å; M90-H92 PolarHBondContact O-N 3.07Å; H92-K94 PolarHBondContact O-N 3.35Å; H92-R95 WeakPolarHBondContact O-CB 3.41Å; H92-R95 PolarHBondContact O-N 3.41Å; H92-R95 VanDerWaalsContact O-N 3.15Å; H92-L96 WeakPolarHBondContact O-CG 3.16Å; H92-L96 PolarHBondContact O-N 2.9Å |
| 93 | Y | 92.4 | Very high | 89.2 | Confident | 9 Ų | 9 | 63.8 Ų | 63.8 | 4% | 0.035 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.7 | -46.2 | 175.6 | 177.9 | -114.9 | 0 | 0 | 0 | 112.7 | I55 T61 I63 I81 V89 M90 R95 L96 Q97 | I55-Y93 HydrophobicContact CD1-CD2 4.28Å; I55-Y93 HydrophobicContact CD1-CG 4.24Å; I55-Y93 HydrophobicContact CG1-CD2 3.86Å; I55-Y93 HydrophobicContact CG1-CG 4.26Å; T61-Y93 VanDerWaalsContact O-CE2 3.31Å; T61-Y93 WeakPolarHBondContact O-CE2 3.48Å; T61-Y93 PolarHBondContact O-OH 3.02Å; I63-Y93 HydrophobicContact CD1-CE2 4.16Å; I63-Y93 HydrophobicContact CG1-CE2 4.16Å; I81-Y93 HydrophobicContact CD1-CE1 3.77Å; I81-Y93 HydrophobicContact CD1-CE2 4.31Å; I81-Y93 WeakPolarHBondContact CD1-OH 3.4Å; I81-Y93 HydrophobicContact CG2-CD1 4.27Å; I81-Y93 HydrophobicContact CG2-CE1 4.4Å; V89-Y93 PolarHBondContact O-N 3Å; M90-Y93 HydrophobicContact CE-CD1 4.1Å; M90-Y93 WeakPolarHBondContact O-CB 3.45Å; M90-Y93 PolarHBondContact O-N 3.35Å; M90-Y93 HydrophobicContact SD-CD1 4.02Å; Y93-R95 VanDerWaalsContact C-N 3.31Å; Y93-R95 PolarHBondContact O-N 3.01Å; Y93-L96 PolarHBondContact O-N 2.94Å; Y93-Q97 HydrophobicContact CE1-CG 4.38Å; Y93-Q97 VanDerWaalsContact CE1-NE2 3.27Å; Y93-Q97 HydrophobicContact CE2-CG 4.3Å; Y93-Q97 PolarHBondContact O-N 3.4Å; Y93-Q97 PolarHBondContact OH-NE2 3.06Å |
| 94 | K | 90.8 | Very high | 88.4 | Confident | 88 Ų | 88 | 62.2 Ų | 62.2 | 38% | 0.383 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 175.6 | -72.8 | -176.7 | 177.1 | -171.6 | 0 | 112.4 | E78 M90 Q91 H92 Q97 F98 | E78-K94 WeakPolarHBondContact OE1-CE 3.39Å; E78-K94 IonicContact OE1-NZ 3.41Å; E78-K94 PolarHBondContact OE1-NZ 2.9Å; M90-K94 HydrophobicContact CE-CG 4.44Å; M90-K94 WeakPolarHBondContact O-CG 3.03Å; M90-K94 PolarHBondContact O-N 2.73Å; Q91-K94 PolarHBondContact O-N 2.91Å; H92-K94 PolarHBondContact O-N 3.35Å; K94-Q97 PolarHBondContact O-N 3.41Å; K94-F98 WeakPolarHBondContact O-CB 3.22Å; K94-F98 PolarHBondContact O-N 2.82Å |
| 95 | R | 88.7 | Confident | 87.9 | Confident | 135 Ų | 135 | 63.4 Ų | 63.4 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 174.7 | -173 | -175.7 | -56.6 | 172.6 | 3.4 | 111.3 | Q91 H92 Y93 Q97 F98 E99 | Q91-R95 PolarHBondContact O-N 3.28Å; H92-R95 WeakPolarHBondContact O-CB 3.41Å; H92-R95 PolarHBondContact O-N 3.41Å; H92-R95 VanDerWaalsContact O-N 3.15Å; Y93-R95 VanDerWaalsContact C-N 3.31Å; Y93-R95 PolarHBondContact O-N 3.01Å; R95-Q97 VanDerWaalsContact C-N 3.31Å; R95-Q97 PolarHBondContact O-N 3.49Å; R95-F98 PolarHBondContact O-N 3.25Å; R95-E99 WeakPolarHBondContact CD-OE1 3.49Å; R95-E99 HydrophobicContact CG-CG 4.38Å; R95-E99 WeakPolarHBondContact CG-OE1 3.33Å; R95-E99 WeakPolarHBondContact O-CB 3.27Å; R95-E99 WeakPolarHBondContact O-CG 3.17Å; R95-E99 PolarHBondContact O-N 3.24Å |
| 96 | L | 87.4 | Confident | 87.1 | Confident | 26 Ų | 26 | 66.9 Ų | 66.9 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 177.1 | -69.4 | 170.2 | 0 | 0 | 0 | 111.8 | I55 T61 H92 Y93 E99 R100 | I55-L96 WeakPolarHBondContact O-CD1 3.42Å; T61-L96 HydrophobicContact CG2-CB 4.21Å; T61-L96 WeakPolarHBondContact CG2-O 3.29Å; H92-L96 WeakPolarHBondContact O-CG 3.16Å; H92-L96 PolarHBondContact O-N 2.9Å; Y93-L96 PolarHBondContact O-N 2.94Å; L96-E99 PolarHBondContact O-N 3.02Å; L96-R100 WeakPolarHBondContact O-CB 3.37Å; L96-R100 PolarHBondContact O-N 3.41Å |
| 97 | Q | 88.4 | Confident | 86.5 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 21% | 0.206 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.9 | -49.9 | 174 | -75.3 | -173.2 | -26.7 | 0 | 0 | 111.8 | Y93 K94 R95 E99 R100 E101 | Y93-Q97 HydrophobicContact CE1-CG 4.38Å; Y93-Q97 VanDerWaalsContact CE1-NE2 3.27Å; Y93-Q97 HydrophobicContact CE2-CG 4.3Å; Y93-Q97 PolarHBondContact O-N 3.4Å; Y93-Q97 PolarHBondContact OH-NE2 3.06Å; K94-Q97 PolarHBondContact O-N 3.41Å; R95-Q97 VanDerWaalsContact C-N 3.31Å; R95-Q97 PolarHBondContact O-N 3.49Å; Q97-E99 VanDerWaalsContact C-N 3.35Å; Q97-E99 PolarHBondContact O-N 3.28Å; Q97-R100 WeakPolarHBondContact O-CB 3.2Å; Q97-R100 PolarHBondContact O-N 3.09Å; Q97-E101 WeakPolarHBondContact O-CG 3.33Å; Q97-E101 PolarHBondContact O-N 2.88Å |
| 98 | F | 87.5 | Confident | 86.1 | Confident | 84 Ų | 84 | 66.7 Ų | 66.7 | 37% | 0.368 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 177.3 | 179 | -106.3 | 0 | 0 | 0 | 112.1 | K94 R95 R100 E101 V102 W110 V119 | K94-F98 WeakPolarHBondContact O-CB 3.22Å; K94-F98 PolarHBondContact O-N 2.82Å; R95-F98 PolarHBondContact O-N 3.25Å; F98-R100 VanDerWaalsContact C-N 3.28Å; F98-R100 PolarHBondContact O-N 3.46Å; F98-E101 PolarHBondContact O-N 3.35Å; F98-V102 HydrophobicContact CD1-CG2 4.25Å; F98-V102 HydrophobicContact CD2-CG2 4.36Å; F98-V102 HydrophobicContact CE1-CG2 3.9Å; F98-V102 HydrophobicContact CE2-CG2 4.01Å; F98-V102 HydrophobicContact CG-CG2 4.48Å; F98-V102 HydrophobicContact CZ-CG2 3.78Å; F98-V102 VanDerWaalsContact O-CG2 3.25Å; F98-V102 WeakPolarHBondContact O-CG2 3.4Å; F98-V102 PolarHBondContact O-N 3.28Å; F98-W110 AromaticContact CD1-CH2 3.92Å; F98-W110 HydrophobicContact CD1-CH2 3.92Å; F98-W110 HydrophobicContact CD1-CZ2 4.34Å; F98-W110 AromaticContact CE1-CH2 3.64Å; F98-W110 HydrophobicContact CE1-CH2 3.64Å; F98-W110 HydrophobicContact CE1-CZ2 4.21Å; F98-V119 HydrophobicContact CE1-CG2 3.6Å; F98-V119 HydrophobicContact CZ-CB 4.41Å; F98-V119 HydrophobicContact CZ-CG2 3.65Å |
| 99 | E | 83.9 | Confident | 85.7 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 175.6 | -75.6 | 175 | -167.2 | 0 | 0 | 112.1 | R95 L96 Q97 L103 W110 | R95-E99 WeakPolarHBondContact CD-OE1 3.49Å; R95-E99 HydrophobicContact CG-CG 4.38Å; R95-E99 WeakPolarHBondContact CG-OE1 3.33Å; R95-E99 WeakPolarHBondContact O-CB 3.27Å; R95-E99 WeakPolarHBondContact O-CG 3.17Å; R95-E99 PolarHBondContact O-N 3.24Å; L96-E99 PolarHBondContact O-N 3.02Å; Q97-E99 VanDerWaalsContact C-N 3.35Å; Q97-E99 PolarHBondContact O-N 3.28Å; E99-L103 VanDerWaalsContact O-CG 3.25Å; E99-L103 WeakPolarHBondContact O-CG 3.01Å; E99-L103 PolarHBondContact O-N 3.04Å; E99-W110 HydrophobicContact CB-CZ2 4.33Å; E99-W110 HydrophobicContact CG-CH2 4.07Å; E99-W110 HydrophobicContact CG-CZ2 3.83Å |
| 100 | R | 81.5 | Confident | 85.4 | Confident | 41 Ų | 41 | 60.5 Ų | 60.5 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.4 | -43.9 | 175.2 | -172.2 | 179.4 | -172.2 | 162.1 | 6.2 | 112.3 | T61 L96 Q97 F98 V102 L103 L104 N207 | T61-R100 HydrophobicContact CG2-CB 3.88Å; T61-R100 HydrophobicContact CG2-CG 4.38Å; T61-R100 WeakPolarHBondContact OG1-CD 3.39Å; T61-R100 PolarHBondContact OG1-NH1 2.8Å; L96-R100 WeakPolarHBondContact O-CB 3.37Å; L96-R100 PolarHBondContact O-N 3.41Å; Q97-R100 WeakPolarHBondContact O-CB 3.2Å; Q97-R100 PolarHBondContact O-N 3.09Å; F98-R100 VanDerWaalsContact C-N 3.28Å; F98-R100 PolarHBondContact O-N 3.46Å; R100-V102 VanDerWaalsContact C-N 3.32Å; R100-V102 PolarHBondContact O-N 3.02Å; R100-L103 PolarHBondContact O-N 3.44Å; R100-L104 HydrophobicContact CG-CD1 3.94Å; R100-L104 HydrophobicContact CG-CG 4.34Å; R100-L104 WeakPolarHBondContact O-CB 3.29Å; R100-L104 VanDerWaalsContact O-CG 3.29Å; R100-L104 WeakPolarHBondContact O-CG 3.34Å; R100-L104 PolarHBondContact O-N 2.94Å; R100-N207 PolarHBondContact NH2-O 3.33Å |
| 101 | E | 84.9 | Confident | 85 | Confident | 111 Ų | 111 | 60.5 Ų | 60.5 | 52% | 0.519 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.2 | -45.6 | 176.8 | -74.5 | 175.4 | -174.7 | 0 | 0 | 111.3 | Q97 F98 L103 L104 D105 | Q97-E101 WeakPolarHBondContact O-CG 3.33Å; Q97-E101 PolarHBondContact O-N 2.88Å; F98-E101 PolarHBondContact O-N 3.35Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.31Å; E101-L104 PolarHBondContact O-N 3.37Å; E101-L104 VanDerWaalsContact O-N 3.16Å; E101-D105 WeakPolarHBondContact O-CB 3.31Å; E101-D105 PolarHBondContact O-N 3.37Å |
| 102 | V | 84 | Confident | 84.7 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 177.3 | 175.5 | 0 | 0 | 0 | 0 | 111.7 | F98 R100 L104 R108 W110 V119 | F98-V102 HydrophobicContact CD1-CG2 4.25Å; F98-V102 HydrophobicContact CD2-CG2 4.36Å; F98-V102 HydrophobicContact CE1-CG2 3.9Å; F98-V102 HydrophobicContact CE2-CG2 4.01Å; F98-V102 HydrophobicContact CG-CG2 4.48Å; F98-V102 HydrophobicContact CZ-CG2 3.78Å; F98-V102 VanDerWaalsContact O-CG2 3.25Å; F98-V102 WeakPolarHBondContact O-CG2 3.4Å; F98-V102 PolarHBondContact O-N 3.28Å; R100-V102 VanDerWaalsContact C-N 3.32Å; R100-V102 PolarHBondContact O-N 3.02Å; V102-L104 VanDerWaalsContact C-N 3.32Å; V102-R108 HydrophobicContact CG1-CB 3.99Å; V102-W110 HydrophobicContact CB-CZ2 3.86Å; V102-W110 HydrophobicContact CG1-CD2 4.34Å; V102-W110 HydrophobicContact CG1-CG 4.46Å; V102-W110 HydrophobicContact CG1-CZ2 3.9Å; V102-W110 VanDerWaalsContact CG1-NE1 3.28Å; V102-W110 HydrophobicContact CG2-CZ2 3.94Å; V102-V119 HydrophobicContact CG1-CG1 3.8Å; V102-V119 HydrophobicContact CG1-CG2 4.07Å; V102-V119 HydrophobicContact CG2-CG1 3.99Å; V102-V119 HydrophobicContact CG2-CG2 3.76Å |
| 103 | L | 77.1 | Confident | 84.4 | Confident | 62 Ų | 62 | 54.5 Ų | 54.5 | 33% | 0.325 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.8 | -26.8 | 175.9 | -73.6 | 171.4 | 0 | 0 | 0 | 113.6 | E99 R100 E101 | E99-L103 VanDerWaalsContact O-CG 3.25Å; E99-L103 WeakPolarHBondContact O-CG 3.01Å; E99-L103 PolarHBondContact O-N 3.04Å; R100-L103 PolarHBondContact O-N 3.44Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.31Å |
| 104 | L | 75.2 | Confident | 83.8 | Confident | 87 Ų | 87 | 59.7 Ų | 59.7 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -88.3 | -24.6 | 179.3 | -69.3 | 175.5 | 0 | 0 | 0 | 112.5 | R100 E101 V102 P106 C208 | R100-L104 HydrophobicContact CG-CD1 3.94Å; R100-L104 HydrophobicContact CG-CG 4.34Å; R100-L104 WeakPolarHBondContact O-CB 3.29Å; R100-L104 VanDerWaalsContact O-CG 3.29Å; R100-L104 WeakPolarHBondContact O-CG 3.34Å; R100-L104 PolarHBondContact O-N 2.94Å; E101-L104 PolarHBondContact O-N 3.37Å; E101-L104 VanDerWaalsContact O-N 3.16Å; V102-L104 VanDerWaalsContact C-N 3.32Å; L104-P106 VanDerWaalsContact O-CD 3.23Å; L104-P106 WeakPolarHBondContact O-CD 3.41Å; L104-C208 HydrophobicContact CD2-CB 3.99Å |
| 105 | D | 81.1 | Confident | 83.5 | Confident | 48 Ų | 48 | 60.7 Ų | 60.7 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | trans | -80.4 | 109.6 | 176.7 | -172.3 | -15.8 | 0 | 0 | 0 | 110.7 | E101 C107 R108 | E101-D105 WeakPolarHBondContact O-CB 3.31Å; E101-D105 PolarHBondContact O-N 3.37Å; D105-C107 PolarHBondContact O-N 3.4Å; D105-C107 VanDerWaalsContact O-N 3.13Å; D105-C107 WeakPolarHBondContact OD1-CA 3.37Å; D105-C107 WeakPolarHBondContact OD1-CB 3.39Å; D105-C107 PolarHBondContact OD1-N 3.17Å; D105-R108 HydrophobicContact CB-CB 4.21Å; D105-R108 HydrophobicContact CB-CG 4.13Å; D105-R108 PolarHBondContact O-N 3.28Å; D105-R108 VanDerWaalsContact O-N 3.15Å; D105-R108 WeakPolarHBondContact OD2-CD 3.16Å; D105-R108 WeakPolarHBondContact OD2-CG 3.49Å; D105-R108 IonicContact OD2-CZ 3.79Å; D105-R108 IonicContact OD2-NE 3.13Å; D105-R108 PolarHBondContact OD2-NE 2.84Å; D105-R108 VanDerWaalsContact OD2-NE 3.13Å | ||
| 106 | P | 76.8 | Confident | 83.3 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.7 | 179.3 | -22.3 | 37.2 | 0 | 0 | 0 | 113.3 | L104 R108 V127 | L104-P106 VanDerWaalsContact O-CD 3.23Å; L104-P106 WeakPolarHBondContact O-CD 3.41Å; P106-R108 VanDerWaalsContact C-N 3.31Å; P106-V127 HydrophobicContact CB-CG1 3.48Å; P106-V127 VanDerWaalsContact CB-CG1 3.48Å; P106-V127 VanDerWaalsContact O-CG1 3.26Å; P106-V127 WeakPolarHBondContact O-CG1 3.23Å |
| 107 | C | 82.8 | Confident | 83.1 | Confident | 19 Ų | 19 | 60.9 Ų | 60.9 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 7.5 | -178.5 | -58.9 | 0 | 0 | 0 | 0 | 112.8 | D105 L122 | D105-C107 PolarHBondContact O-N 3.4Å; D105-C107 VanDerWaalsContact O-N 3.13Å; D105-C107 WeakPolarHBondContact OD1-CA 3.37Å; D105-C107 WeakPolarHBondContact OD1-CB 3.39Å; D105-C107 PolarHBondContact OD1-N 3.17Å; C107-L122 PolarHBondContact O-N 3.11Å |
| 108 | R | 84.4 | Confident | 82.9 | Confident | 85 Ų | 85 | 59.4 Ų | 59.4 | 32% | 0.321 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 145.9 | 178.6 | -65.5 | 179.2 | 178.1 | -177.7 | 2.4 | 111.3 | V102 D105 P106 V119 C120 | V102-R108 HydrophobicContact CG1-CB 3.99Å; D105-R108 HydrophobicContact CB-CB 4.21Å; D105-R108 HydrophobicContact CB-CG 4.13Å; D105-R108 PolarHBondContact O-N 3.28Å; D105-R108 VanDerWaalsContact O-N 3.15Å; D105-R108 WeakPolarHBondContact OD2-CD 3.16Å; D105-R108 WeakPolarHBondContact OD2-CG 3.49Å; D105-R108 IonicContact OD2-CZ 3.79Å; D105-R108 IonicContact OD2-NE 3.13Å; D105-R108 PolarHBondContact OD2-NE 2.84Å; D105-R108 VanDerWaalsContact OD2-NE 3.13Å; P106-R108 VanDerWaalsContact C-N 3.31Å; R108-V119 HydrophobicContact CB-CG1 3.9Å; R108-V119 HydrophobicContact CG-CG1 4.18Å; R108-C120 WeakPolarHBondContact CA-O 3.48Å |
| 109 | T | 84.3 | Confident | 83 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 150.3 | 175 | -166.8 | 0 | 0 | 0 | 0 | 111.4 | C120 L122 V133 F142 | T109-C120 HydrophobicContact CG2-CB 4.1Å; T109-C120 PolarHBondContact N-O 3.14Å; T109-C120 PolarHBondContact O-N 3.43Å; T109-L122 HydrophobicContact CG2-CD1 4.42Å; T109-L122 HydrophobicContact CG2-CD2 3.94Å; T109-L122 HydrophobicContact CG2-CG 4.23Å; T109-V133 HydrophobicContact CG2-CG1 4.42Å; T109-F142 HydrophobicContact CG2-CE2 3.79Å; T109-F142 HydrophobicContact CG2-CZ 3.91Å |
| 110 | W | 86 | Confident | 83.2 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 139.7 | 177 | -69.7 | 95.8 | 0 | 0 | 0 | 111.1 | F98 E99 V102 Q117 V119 | F98-W110 AromaticContact CD1-CH2 3.92Å; F98-W110 HydrophobicContact CD1-CH2 3.92Å; F98-W110 HydrophobicContact CD1-CZ2 4.34Å; F98-W110 AromaticContact CE1-CH2 3.64Å; F98-W110 HydrophobicContact CE1-CH2 3.64Å; F98-W110 HydrophobicContact CE1-CZ2 4.21Å; E99-W110 HydrophobicContact CB-CZ2 4.33Å; E99-W110 HydrophobicContact CG-CH2 4.07Å; E99-W110 HydrophobicContact CG-CZ2 3.83Å; V102-W110 HydrophobicContact CB-CZ2 3.86Å; V102-W110 HydrophobicContact CG1-CD2 4.34Å; V102-W110 HydrophobicContact CG1-CG 4.46Å; V102-W110 HydrophobicContact CG1-CZ2 3.9Å; V102-W110 VanDerWaalsContact CG1-NE1 3.28Å; V102-W110 HydrophobicContact CG2-CZ2 3.94Å; W110-Q117 WeakPolarHBondContact CZ3-O 3.29Å; W110-V119 HydrophobicContact CD2-CG2 4.18Å; W110-V119 HydrophobicContact CE3-CG2 3.84Å; W110-V119 HydrophobicContact CH2-CG2 3.57Å; W110-V119 HydrophobicContact CZ2-CG2 3.86Å; W110-V119 HydrophobicContact CZ3-CG2 3.56Å |
| 111 | C | 85.9 | Confident | 83.4 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | trans | -59.6 | 130 | 167.4 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | S113 C116 A118 C138 | C111-S113 PolarHBondContact O-N 3.03Å; C111-C116 HydrophobicContact CB-CB 4.26Å; C111-A118 HydrophobicContact CB-CB 4.39Å; C111-A118 WeakPolarHBondContact CB-O 3.48Å; C111-A118 PolarHBondContact N-O 2.89Å; C111-C138 VanDerWaalsContact SG-SG 3.61Å | ||
| 112 | P | 84.8 | Confident | 83.2 | Confident | 54 Ų | 54 | 53.3 Ų | 53.3 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -70.6 | -14.1 | 179.4 | 25.1 | -31.7 | 0 | 0 | 0 | 113.8 | S114 L140 F142 R147 | P112-S114 PolarHBondContact O-N 2.98Å; P112-L140 HydrophobicContact CG-CD2 3.85Å; P112-F142 HydrophobicContact CG-CB 3.88Å; P112-F142 HydrophobicContact CG-CD1 4.07Å; P112-F142 HydrophobicContact CG-CD2 4.04Å; P112-F142 HydrophobicContact CG-CG 3.73Å; P112-R147 HydrophobicContact CB-CB 4.19Å; P112-R147 WeakPolarHBondContact CB-O 3.25Å; P112-R147 WeakPolarHBondContact CG-O 3.34Å |
| 113 | S | 83.6 | Confident | 82.8 | Confident | 28 Ų | 28 | 58.4 Ų | 58.4 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | trans | -66.5 | 118.9 | 175.8 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | C111 S115 C116 | C111-S113 PolarHBondContact O-N 3.03Å; S113-S115 PolarHBondContact O-N 3.35Å; S113-S115 VanDerWaalsContact O-N 3.15Å; S113-S115 PolarHBondContact OG-OG 3.41Å; S113-S115 VanDerWaalsContact OG-OG 3.14Å; S113-C116 PolarHBondContact O-N 3.38Å; S113-C116 VanDerWaalsContact O-N 3.08Å | ||
| 114 | S | 81.8 | Confident | 82.4 | Confident | 117 Ų | 117 | 63.2 Ų | 63.2 | 82% | 0.818 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.9 | 179.3 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | P112 | P112-S114 PolarHBondContact O-N 2.98Š|
| 115 | S | 83.5 | Confident | 81.8 | Confident | 109 Ų | 109 | 63.9 Ų | 63.9 | 76% | 0.762 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -9.9 | 179.1 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | S113 | S113-S115 PolarHBondContact O-N 3.35Å; S113-S115 VanDerWaalsContact O-N 3.15Å; S113-S115 PolarHBondContact OG-OG 3.41Å; S113-S115 VanDerWaalsContact OG-OG 3.14Å |
| 116 | C | 85.5 | Confident | 80.9 | Confident | 32 Ų | 32 | 66.4 Ų | 66.4 | 22% | 0.216 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -49.7 | -172.9 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | C111 S113 A118 C138 | C111-C116 HydrophobicContact CB-CB 4.26Å; S113-C116 PolarHBondContact O-N 3.38Å; S113-C116 VanDerWaalsContact O-N 3.08Å; C116-A118 PolarHBondContact O-N 3.18Å; C116-A118 WeakPolarHBondContact SG-CB 3.34Å; C116-C138 HydrophobicContact CB-CB 4.29Å |
| 117 | Q | 81.3 | Confident | 80.2 | Confident | 134 Ų | 134 | 64.5 Ų | 64.5 | 63% | 0.626 | 36% | 0.364 | S | S | * | . | trans | 49.1 | 24.1 | -174.8 | -56.7 | -161.2 | -42.5 | 0 | 0 | 114.5 | W110 | W110-Q117 WeakPolarHBondContact CZ3-O 3.29Š| ||
| 118 | A | 85.7 | Confident | 79.1 | Confident | 12 Ų | 12 | 72.7 Ų | 72.7 | 10% | 0.099 | 40% | 0.4 | C | S | . | . | trans | -79.3 | 145.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C111 C116 E137 | C111-A118 HydrophobicContact CB-CB 4.39Å; C111-A118 WeakPolarHBondContact CB-O 3.48Å; C111-A118 PolarHBondContact N-O 2.89Å; C116-A118 PolarHBondContact O-N 3.18Å; C116-A118 WeakPolarHBondContact SG-CB 3.34Å; A118-E137 HydrophobicContact CB-CB 3.99Å; A118-E137 HydrophobicContact CB-CG 3.56Å | ||
| 119 | V | 88.4 | Confident | 78.3 | Confident | 38 Ų | 38 | 74 Ų | 74 | 23% | 0.23 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 126.4 | 170.9 | -179 | 0 | 0 | 0 | 0 | 109.1 | F98 V102 R108 W110 | F98-V119 HydrophobicContact CE1-CG2 3.6Å; F98-V119 HydrophobicContact CZ-CB 4.41Å; F98-V119 HydrophobicContact CZ-CG2 3.65Å; V102-V119 HydrophobicContact CG1-CG1 3.8Å; V102-V119 HydrophobicContact CG1-CG2 4.07Å; V102-V119 HydrophobicContact CG2-CG1 3.99Å; V102-V119 HydrophobicContact CG2-CG2 3.76Å; R108-V119 HydrophobicContact CB-CG1 3.9Å; R108-V119 HydrophobicContact CG-CG1 4.18Å; W110-V119 HydrophobicContact CD2-CG2 4.18Å; W110-V119 HydrophobicContact CE3-CG2 3.84Å; W110-V119 HydrophobicContact CH2-CG2 3.57Å; W110-V119 HydrophobicContact CZ2-CG2 3.86Å; W110-V119 HydrophobicContact CZ3-CG2 3.56Å |
| 120 | C | 87.7 | Confident | 77.7 | Confident | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.014 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 137.8 | 179.7 | -54.7 | 0 | 0 | 0 | 0 | 109.8 | R108 T109 V133 F142 | R108-C120 WeakPolarHBondContact CA-O 3.48Å; T109-C120 HydrophobicContact CG2-CB 4.1Å; T109-C120 PolarHBondContact N-O 3.14Å; T109-C120 PolarHBondContact O-N 3.43Å; C120-V133 HydrophobicContact CB-CG1 3.56Å; C120-F142 HydrophobicContact CB-CZ 4.21Å |
| 121 | Q | 85.9 | Confident | 77.4 | Confident | 121 Ų | 121 | 75.3 Ų | 75.3 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 138.2 | 176.1 | -159.4 | 78.9 | 30.9 | 0 | 0 | 110.1 | ||
| 122 | L | 82.1 | Confident | 77.3 | Confident | 14 Ų | 14 | 79 Ų | 79 | 7% | 0.073 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -103.5 | 154 | 173.3 | -58.9 | 177.4 | 0 | 0 | 0 | 110 | C107 T109 E124 Q131 V133 | C107-L122 PolarHBondContact O-N 3.11Å; T109-L122 HydrophobicContact CG2-CD1 4.42Å; T109-L122 HydrophobicContact CG2-CD2 3.94Å; T109-L122 HydrophobicContact CG2-CG 4.23Å; L122-E124 PolarHBondContact O-N 2.86Å; L122-Q131 HydrophobicContact CD2-CG 4.36Å; L122-V133 HydrophobicContact CD2-CB 4.45Å; L122-V133 HydrophobicContact CD2-CG1 4.33Å; L122-V133 HydrophobicContact CD2-CG2 3.27Å |
| 123 | N | 75.6 | Confident | 77.4 | Confident | 110 Ų | 110 | 76.9 Ų | 76.9 | 59% | 0.588 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 125.5 | 173.5 | -73.7 | -27.9 | 0 | 0 | 0 | 110.6 | A125 E126 | N123-A125 PolarHBondContact O-N 3Å; N123-E126 PolarHBondContact O-N 3.12Å; N123-E126 VanDerWaalsContact O-N 3.17Å |
| 124 | E | 68.2 | Low | 77.7 | Confident | 164 Ų | 164 | 80.5 Ų | 80.5 | 77% | 0.766 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -56.9 | -31.7 | -177.6 | -64.9 | -176.8 | 161 | 0 | 0 | 113.4 | L122 E126 V127 | L122-E124 PolarHBondContact O-N 2.86Å; E124-E126 VanDerWaalsContact C-N 3.3Å; E124-E126 PolarHBondContact O-N 3.15Å; E124-V127 WeakPolarHBondContact O-CG2 3.09Å |
| 125 | A | 62.8 | Low | 78 | Confident | 100 Ų | 100 | 75 Ų | 75 | 83% | 0.826 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -71.5 | -19.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N123 | N123-A125 PolarHBondContact O-N 3Š|
| 126 | E | 62.4 | Low | 78.3 | Confident | 102 Ų | 102 | 74.1 Ų | 74.1 | 48% | 0.477 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -130.8 | 22.4 | -169.4 | -64.1 | -174.8 | 172 | 0 | 0 | 113.1 | N123 E124 Q128 L129 Q131 | N123-E126 PolarHBondContact O-N 3.12Å; N123-E126 VanDerWaalsContact O-N 3.17Å; E124-E126 VanDerWaalsContact C-N 3.3Å; E124-E126 PolarHBondContact O-N 3.15Å; E126-Q128 PolarHBondContact O-N 2.86Å; E126-L129 PolarHBondContact O-N 2.97Å; E126-Q131 PolarHBondContact O-NE2 3.01Å |
| 127 | V | 61 | Low | 78.4 | Confident | 46 Ų | 46 | 79.6 Ų | 79.6 | 28% | 0.279 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28.3 | -175.6 | 173.9 | 0 | 0 | 0 | 0 | 113.4 | P106 E124 | P106-V127 HydrophobicContact CB-CG1 3.48Å; P106-V127 VanDerWaalsContact CB-CG1 3.48Å; P106-V127 VanDerWaalsContact O-CG1 3.26Å; P106-V127 WeakPolarHBondContact O-CG1 3.23Å; E124-V127 WeakPolarHBondContact O-CG2 3.09Å |
| 128 | Q | 59.8 | Low | 78.9 | Confident | 192 Ų | 192 | 75.9 Ų | 75.9 | 90% | 0.897 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -8.2 | -179.1 | -61.4 | -169.5 | -5.7 | 0 | 0 | 114.1 | E126 | E126-Q128 PolarHBondContact O-N 2.86Š|
| 129 | L | 68 | Low | 79 | Confident | 112 Ų | 112 | 78.8 Ų | 78.8 | 59% | 0.586 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -105.8 | 144 | 177.6 | -79 | 112.7 | 0 | 0 | 0 | 111.6 | E126 Q131 | E126-L129 PolarHBondContact O-N 2.97Å; L129-Q131 PolarHBondContact O-N 3.13Å; L129-Q131 VanDerWaalsContact O-N 3.11Å |
| 130 | P | 71.5 | Confident | 78.9 | Confident | 72 Ų | 72 | 80 Ų | 80 | 47% | 0.468 | 44% | 0.439 | S | S | . | . | trans | -58.9 | 116.2 | 170.1 | -19.7 | 31.4 | 0 | 0 | 0 | 109.8 | A145 | P130-A145 HydrophobicContact CB-CB 4.18Å; P130-A145 HydrophobicContact CG-CB 4.23Å | ||
| 131 | Q | 79.4 | Confident | 79 | Confident | 13 Ų | 13 | 86.5 Ų | 86.5 | 6% | 0.061 | 46% | 0.463 | C | S | . | . | trans | -124.3 | 148.3 | 178.5 | 65.7 | -177.2 | -75.3 | 0 | 0 | 110.5 | L122 E126 L129 V133 S144 | L122-Q131 HydrophobicContact CD2-CG 4.36Å; E126-Q131 PolarHBondContact O-NE2 3.01Å; L129-Q131 PolarHBondContact O-N 3.13Å; L129-Q131 VanDerWaalsContact O-N 3.11Å; Q131-V133 PolarHBondContact O-N 2.89Å; Q131-S144 PolarHBondContact N-OG 2.92Å; Q131-S144 PolarHBondContact O-N 3.36Å; Q131-S144 PolarHBondContact O-OG 3.18Å | ||
| 132 | P | 83.6 | Confident | 79 | Confident | 88 Ų | 88 | 80.9 Ų | 80.9 | 57% | 0.571 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 125.9 | 174.5 | 29.3 | -33 | 0 | 0 | 0 | 110.5 | C150 | P132-C150 HydrophobicContact CB-CB 4.26Å; P132-C150 VanDerWaalsContact CB-SG 3.55Å |
| 133 | V | 87.6 | Confident | 79.1 | Confident | 9 Ų | 9 | 80.3 Ų | 80.3 | 6% | 0.055 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.5 | 178.6 | -171.7 | 0 | 0 | 0 | 0 | 108.5 | T109 C120 L122 Q131 R141 F142 | T109-V133 HydrophobicContact CG2-CG1 4.42Å; C120-V133 HydrophobicContact CB-CG1 3.56Å; L122-V133 HydrophobicContact CD2-CB 4.45Å; L122-V133 HydrophobicContact CD2-CG1 4.33Å; L122-V133 HydrophobicContact CD2-CG2 3.27Å; Q131-V133 PolarHBondContact O-N 2.89Å; V133-R141 CarbonylContact O-C 3.58Å; V133-R141 VanDerWaalsContact O-CA 3.26Å; V133-R141 WeakPolarHBondContact O-CA 3.34Å; V133-F142 HydrophobicContact CB-CD1 4.4Å; V133-F142 HydrophobicContact CB-CD2 4.4Å; V133-F142 HydrophobicContact CB-CE1 4.04Å; V133-F142 HydrophobicContact CB-CE2 4.04Å; V133-F142 HydrophobicContact CB-CZ 3.85Å; V133-F142 HydrophobicContact CG1-CE1 3.93Å; V133-F142 HydrophobicContact CG1-CE2 4.28Å; V133-F142 HydrophobicContact CG1-CZ 3.67Å; V133-F142 HydrophobicContact CG2-CE2 4.38Å; V133-F142 PolarHBondContact N-O 2.84Å; V133-F142 PolarHBondContact O-N 2.8Å |
| 134 | Q | 89.6 | Confident | 79.4 | Confident | 104 Ų | 104 | 75.9 Ų | 75.9 | 49% | 0.486 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123 | 171.1 | -177.1 | 173 | -9.8 | 0 | 0 | 109.2 | R141 | Q134-R141 HydrophobicContact CB-CG 4.34Å; Q134-R141 HydrophobicContact CG-CG 4.19Å |
| 135 | C | 89 | Confident | 79.8 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 40% | 0.4 | C | S | . | . | trans | -68 | 128.8 | 176.1 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | E137 S139 L140 F142 | C135-E137 VanDerWaalsContact C-N 3.32Å; C135-E137 PolarHBondContact O-N 3.42Å; C135-S139 WeakPolarHBondContact O-CA 3.32Å; C135-S139 PolarHBondContact O-N 2.73Å; C135-L140 HydrophobicContact CB-CB 4.45Å; C135-L140 PolarHBondContact N-O 3.38Å; C135-F142 HydrophobicContact CB-CE1 4.37Å | ||
| 136 | P | 88.2 | Confident | 80.4 | Confident | 91 Ų | 91 | 67.6 Ų | 67.6 | 59% | 0.591 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -28.1 | 179.7 | 26.9 | -33.7 | 0 | 0 | 0 | 113.2 | ||
| 137 | E | 89.6 | Confident | 81.1 | Confident | 148 Ų | 148 | 68.2 Ų | 68.2 | 69% | 0.692 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -49.7 | -175.1 | -61.3 | -58.2 | 145.9 | 0 | 0 | 112.5 | A118 C135 | A118-E137 HydrophobicContact CB-CB 3.99Å; A118-E137 HydrophobicContact CB-CG 3.56Å; C135-E137 VanDerWaalsContact C-N 3.32Å; C135-E137 PolarHBondContact O-N 3.42Å |
| 138 | C | 90.2 | Very high | 81.9 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 37% | 0.372 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 0.5 | -175.7 | 71.2 | 0 | 0 | 0 | 0 | 114.2 | C111 C116 L140 | C111-C138 VanDerWaalsContact SG-SG 3.61Å; C116-C138 HydrophobicContact CB-CB 4.29Å; C138-L140 PolarHBondContact O-N 3.25Å; C138-L140 WeakPolarHBondContact SG-CB 3.39Å |
| 139 | S | 88.3 | Confident | 82.8 | Confident | 73 Ų | 73 | 64.8 Ų | 64.8 | 51% | 0.51 | 36% | 0.358 | S | S | . | . | trans | 58.7 | 10.2 | -177.1 | -64 | 0 | 0 | 0 | 0 | 115.8 | C135 R141 | C135-S139 WeakPolarHBondContact O-CA 3.32Å; C135-S139 PolarHBondContact O-N 2.73Å; S139-R141 PolarHBondContact O-N 2.83Å | ||
| 140 | L | 87.3 | Confident | 83.2 | Confident | 65 Ų | 65 | 61.9 Ų | 61.9 | 34% | 0.34 | 35% | 0.347 | S | S | . | . | trans | -63 | 131.7 | 175.5 | -177.5 | 63.6 | 0 | 0 | 0 | 110.4 | P112 C135 C138 | P112-L140 HydrophobicContact CG-CD2 3.85Å; C135-L140 HydrophobicContact CB-CB 4.45Å; C135-L140 PolarHBondContact N-O 3.38Å; C138-L140 PolarHBondContact O-N 3.25Å; C138-L140 WeakPolarHBondContact SG-CB 3.39Å | ||
| 141 | R | 88 | Confident | 83.2 | Confident | 138 Ų | 138 | 60.7 Ų | 60.7 | 52% | 0.521 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 125.1 | 176.3 | -60.3 | -179.7 | 80.2 | 95.9 | 1.3 | 109.6 | V133 Q134 S139 | V133-R141 CarbonylContact O-C 3.58Å; V133-R141 VanDerWaalsContact O-CA 3.26Å; V133-R141 WeakPolarHBondContact O-CA 3.34Å; Q134-R141 HydrophobicContact CB-CG 4.34Å; Q134-R141 HydrophobicContact CG-CG 4.19Å; S139-R141 PolarHBondContact O-N 2.83Å |
| 142 | F | 86.8 | Confident | 82.4 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.009 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 162.2 | -176.8 | 64.2 | -82.7 | 0 | 0 | 0 | 111.8 | T109 P112 C120 V133 C135 A148 C150 | T109-F142 HydrophobicContact CG2-CE2 3.79Å; T109-F142 HydrophobicContact CG2-CZ 3.91Å; P112-F142 HydrophobicContact CG-CB 3.88Å; P112-F142 HydrophobicContact CG-CD1 4.07Å; P112-F142 HydrophobicContact CG-CD2 4.04Å; P112-F142 HydrophobicContact CG-CG 3.73Å; C120-F142 HydrophobicContact CB-CZ 4.21Å; V133-F142 HydrophobicContact CB-CD1 4.4Å; V133-F142 HydrophobicContact CB-CD2 4.4Å; V133-F142 HydrophobicContact CB-CE1 4.04Å; V133-F142 HydrophobicContact CB-CE2 4.04Å; V133-F142 HydrophobicContact CB-CZ 3.85Å; V133-F142 HydrophobicContact CG1-CE1 3.93Å; V133-F142 HydrophobicContact CG1-CE2 4.28Å; V133-F142 HydrophobicContact CG1-CZ 3.67Å; V133-F142 HydrophobicContact CG2-CE2 4.38Å; V133-F142 PolarHBondContact N-O 2.84Å; V133-F142 PolarHBondContact O-N 2.8Å; C135-F142 HydrophobicContact CB-CE1 4.37Å; F142-A148 CarbonylContact C-O 3.5Å; F142-A148 VanDerWaalsContact CA-O 3.24Å; F142-A148 WeakPolarHBondContact CA-O 3.03Å; F142-A148 WeakPolarHBondContact CB-O 3.48Å; F142-C150 PolarHBondContact N-SG 3.43Å; F142-C150 VanDerWaalsContact N-SG 3.37Å; F142-C150 PolarHBondContact O-SG 3.46Å |
| 143 | C | 85.1 | Confident | 81.3 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.02 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 132.6 | 175 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | A145 C146 R147 A148 | C143-A145 PolarHBondContact O-N 2.84Å; C143-A145 PolarHBondContact SG-N 2.93Å; C143-C146 WeakPolarHBondContact CB-SG 3.29Å; C143-R147 VanDerWaalsContact O-CA 3.24Å; C143-R147 WeakPolarHBondContact O-CA 3.43Å; C143-R147 PolarHBondContact O-N 3.14Å; C143-A148 PolarHBondContact N-O 3.17Å |
| 144 | S | 81.6 | Confident | 80.1 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 12% | 0.119 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -30.3 | 177.4 | 61.3 | 0 | 0 | 0 | 0 | 114.1 | Q131 | Q131-S144 PolarHBondContact N-OG 2.92Å; Q131-S144 PolarHBondContact O-N 3.36Å; Q131-S144 PolarHBondContact O-OG 3.18Å |
| 145 | A | 76.6 | Confident | 78.9 | Confident | 63 Ų | 63 | 72.3 Ų | 72.3 | 52% | 0.521 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -51.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P130 C143 | P130-A145 HydrophobicContact CB-CB 4.18Å; P130-A145 HydrophobicContact CG-CB 4.23Å; C143-A145 PolarHBondContact O-N 2.84Å; C143-A145 PolarHBondContact SG-N 2.93Å |
| 146 | C | 75.8 | Confident | 78 | Confident | 26 Ų | 26 | 74.1 Ų | 74.1 | 18% | 0.176 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -13.6 | -177.9 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | C143 A148 H151 C156 | C143-C146 WeakPolarHBondContact CB-SG 3.29Å; C146-A148 PolarHBondContact O-N 3.38Å; C146-A148 VanDerWaalsContact O-N 3.15Å; C146-H151 PolarHBondContact SG-NE2 3.41Å; C146-C156 HydrophobicContact CB-CB 3.83Å |
| 147 | R | 76 | Confident | 76.5 | Confident | 115 Ų | 115 | 77.9 Ų | 77.9 | 43% | 0.434 | 45% | 0.453 | S | S | . | . | trans | 60.8 | 12.8 | -175.8 | -50.6 | -178 | -179.1 | 173.8 | -1 | 114.8 | P112 C143 | P112-R147 HydrophobicContact CB-CB 4.19Å; P112-R147 WeakPolarHBondContact CB-O 3.25Å; P112-R147 WeakPolarHBondContact CG-O 3.34Å; C143-R147 VanDerWaalsContact O-CA 3.24Å; C143-R147 WeakPolarHBondContact O-CA 3.43Å; C143-R147 PolarHBondContact O-N 3.14Å | ||
| 148 | A | 78.8 | Confident | 74.8 | Confident | 34 Ų | 34 | 76.9 Ų | 76.9 | 28% | 0.281 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -90.8 | -174 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F142 C143 C146 | F142-A148 CarbonylContact C-O 3.5Å; F142-A148 VanDerWaalsContact CA-O 3.24Å; F142-A148 WeakPolarHBondContact CA-O 3.03Å; F142-A148 WeakPolarHBondContact CB-O 3.48Å; C143-A148 PolarHBondContact N-O 3.17Å; C146-A148 PolarHBondContact O-N 3.38Å; C146-A148 VanDerWaalsContact O-N 3.15Å |
| 149 | D | 78.1 | Confident | 72.8 | Confident | 132 Ų | 132 | 81 Ų | 81 | 71% | 0.706 | 46% | 0.463 | S | S | * | . | B | Isolated β-bridge | trans | -55.4 | 147.2 | 178.1 | -67.2 | -31.2 | 0 | 0 | 0 | 112.4 | H151 | D149-H151 PolarHBondContact O-CD2 3.33Å; D149-H151 PolarHBondContact O-N 2.94Å |
| 150 | C | 75.1 | Confident | 70.8 | Confident | 52 Ų | 52 | 82.1 Ų | 82.1 | 35% | 0.351 | 46% | 0.463 | S | S | . | . | trans | -60 | 122.9 | 179.9 | -71.8 | 0 | 0 | 0 | 0 | 111.5 | P132 F142 | P132-C150 HydrophobicContact CB-CB 4.26Å; P132-C150 VanDerWaalsContact CB-SG 3.55Å; F142-C150 PolarHBondContact N-SG 3.43Å; F142-C150 VanDerWaalsContact N-SG 3.37Å; F142-C150 PolarHBondContact O-SG 3.46Å | ||
| 151 | H | 73.6 | Confident | 68.6 | Low | 47 Ų | 47 | 81 Ų | 81 | 22% | 0.218 | 46% | 0.46 | C | S | . | . | trans | -123 | 145.6 | 173.8 | 58.8 | 82.9 | 0 | 0 | 0 | 110.5 | C146 D149 Q154 C156 | C146-H151 PolarHBondContact SG-NE2 3.41Å; D149-H151 PolarHBondContact O-CD2 3.33Å; D149-H151 PolarHBondContact O-N 2.94Å; H151-Q154 PolarHBondContact CE1-O 2.91Å; H151-Q154 PolarHBondContact ND1-O 3.34Å; H151-C156 VanDerWaalsContact CE1-SG 3.52Å; H151-C156 PolarHBondContact NE2-SG 2.88Å | ||
| 152 | T | 61.8 | Low | 66.6 | Low | 140 Ų | 140 | 79 Ų | 79 | 86% | 0.859 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -116.4 | 120.9 | -177.2 | -22.8 | 0 | 0 | 0 | 0 | 109.3 | Q154 | T152-Q154 PolarHBondContact O-N 3.45Å; T152-Q154 VanDerWaalsContact O-N 3.17Å |
| 153 | G | 60.5 | Low | 64.3 | Low | 91 Ų | 91 | 83.5 Ų | 83.5 | 94% | 0.938 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 73.6 | -0 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 154 | Q | 62.3 | Low | 62.2 | Low | 134 Ų | 134 | 88.3 Ų | 88.3 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -97.7 | 141.6 | 170.7 | -66.3 | -179.5 | -42.3 | 0 | 0 | 110.3 | H151 T152 | H151-Q154 PolarHBondContact CE1-O 2.91Å; H151-Q154 PolarHBondContact ND1-O 3.34Å; T152-Q154 PolarHBondContact O-N 3.45Å; T152-Q154 VanDerWaalsContact O-N 3.17Å |
| 155 | A | 63.6 | Low | 60.3 | Low | 92 Ų | 92 | 96 Ų | 96 | 76% | 0.76 | 55% | 0.547 | S | S | * | . | trans | -62 | 140.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q157 | A155-Q157 PolarHBondContact O-N 2.99Š| ||
| 156 | C | 69.9 | Low | 58.4 | Low | 38 Ų | 38 | 99.7 Ų | 99.7 | 26% | 0.257 | 56% | 0.558 | S | S | . | * | trans | -52.7 | 113 | 176.3 | -73.6 | 0 | 0 | 0 | 0 | 110.1 | C146 H151 E158 | C146-C156 HydrophobicContact CB-CB 3.83Å; H151-C156 VanDerWaalsContact CE1-SG 3.52Å; H151-C156 PolarHBondContact NE2-SG 2.88Å; C156-E158 VanDerWaalsContact C-N 3.32Å; C156-E158 PolarHBondContact O-N 3.25Å | ||
| 157 | Q | 58.6 | Low | 56.3 | Low | 171 Ų | 171 | 104.8 Ų | 104.8 | 80% | 0.799 | 59% | 0.59 | S | S | * | * | trans | -81.3 | -8.3 | -168.2 | -164.8 | 155.4 | 0.7 | 0 | 0 | 114 | A155 | A155-Q157 PolarHBondContact O-N 2.99Š| ||
| 158 | E | 53 | Low | 54.5 | Low | 126 Ų | 126 | 102.1 Ų | 102.1 | 59% | 0.589 | 60% | 0.599 | S | S | * | * | trans | -111.5 | 86 | 179.8 | -74.6 | -174.1 | 150.6 | 0 | 0 | 112.7 | C156 | C156-E158 VanDerWaalsContact C-N 3.32Å; C156-E158 PolarHBondContact O-N 3.25Å | ||
| 159 | M | 49.1 | Very low | 52.5 | Low | 142 Ų | 142 | 109.8 Ų | 109.8 | 70% | 0.7 | 63% | 0.629 | S | S | * | * | trans | -114.2 | 27.8 | 153.2 | -66.3 | -159.2 | -36 | 0 | 0 | 111.6 | P161 | M159-P161 WeakPolarHBondContact O-CD 3.45Š| ||
| 160 | L | 44.5 | Very low | 50.6 | Low | 96 Ų | 96 | 111.6 Ų | 111.6 | 50% | 0.503 | 64% | 0.638 | S | S | . | * | trans | -71.2 | 126.9 | 174.9 | -74.7 | 166.5 | 0 | 0 | 0 | 109.6 | L175 | L160-L175 HydrophobicContact CD2-CD2 4.05Š| ||
| 161 | P | 41 | Very low | 49.1 | Very low | 42 Ų | 42 | 112.5 Ų | 112.5 | 27% | 0.273 | 66% | 0.656 | S | S | . | * | trans | -60.9 | 156.2 | 170.5 | 22.9 | -29.1 | 0 | 0 | 0 | 110.4 | M159 T163 | M159-P161 WeakPolarHBondContact O-CD 3.45Å; P161-T163 PolarHBondContact O-N 3.28Å | ||
| 162 | I | 46.5 | Very low | 47.3 | Very low | 96 Ų | 96 | 116.2 Ų | 116.2 | 49% | 0.492 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.7 | 55.4 | 175.6 | -55.8 | 175.5 | 0 | 0 | 0 | 109.7 | F165 Y193 | I162-F165 HydrophobicContact CG2-CD2 3.5Å; I162-F165 HydrophobicContact CG2-CE2 3.68Å; I162-Y193 HydrophobicContact CD1-CD1 4.4Å; I162-Y193 HydrophobicContact CD1-CE1 3.75Å; I162-Y193 HydrophobicContact CD1-CE2 4.08Å; I162-Y193 HydrophobicContact CG1-CE1 4.21Å |
| 163 | T | 39.6 | Very low | 46.4 | Very low | 96 Ų | 96 | 115 Ų | 115 | 59% | 0.589 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -9.9 | 169.3 | 42.2 | 0 | 0 | 0 | 0 | 111.4 | P161 F165 | P161-T163 PolarHBondContact O-N 3.28Å; T163-F165 VanDerWaalsContact C-N 3.34Å; T163-F165 PolarHBondContact O-N 3.28Å |
| 164 | T | 39.8 | Very low | 45.3 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 64% | 0.644 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 8.6 | -177.4 | -24.3 | 0 | 0 | 0 | 0 | 114.7 | L166 | T164-L166 PolarHBondContact O-N 3.19Š|
| 165 | F | 41.3 | Very low | 44.4 | Very low | 177 Ų | 177 | 115.5 Ų | 115.5 | 78% | 0.776 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 2.2 | 171.3 | -74.7 | -81.9 | 0 | 0 | 0 | 113.5 | I162 T163 | I162-F165 HydrophobicContact CG2-CD2 3.5Å; I162-F165 HydrophobicContact CG2-CE2 3.68Å; T163-F165 VanDerWaalsContact C-N 3.34Å; T163-F165 PolarHBondContact O-N 3.28Å |
| 166 | L | 36.9 | Very low | 43.5 | Very low | 142 Ų | 142 | 120.2 Ų | 120.2 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -94.3 | 121.3 | 167.6 | -65.7 | 176 | 0 | 0 | 0 | 109.6 | T164 G168 | T164-L166 PolarHBondContact O-N 3.19Å; L166-G168 PolarHBondContact O-N 3.44Å |
| 167 | P | 33.3 | Very low | 42.1 | Very low | 132 Ų | 132 | 122.7 Ų | 122.7 | 86% | 0.857 | 69% | 0.691 | S | S | * | * | trans | -69.9 | 128.3 | 177 | -14.5 | 28.2 | 0 | 0 | 0 | 111.5 | ||||
| 168 | G | 38.4 | Very low | 41.6 | Very low | 59 Ų | 59 | 121.9 Ų | 121.9 | 61% | 0.608 | 69% | 0.687 | S | S | * | * | trans | 99.1 | 112.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | L166 | L166-G168 PolarHBondContact O-N 3.44Š| ||
| 169 | E | 35.4 | Very low | 41.7 | Very low | 196 Ų | 196 | 119.7 Ų | 119.7 | 92% | 0.916 | 68% | 0.677 | S | S | * | * | -168.8 | 155.5 | 57.2 | 39.9 | -165.4 | 76.9 | 0 | 0 | 110.4 | |||||
| 170 | N | 39.4 | Very low | 42.2 | Very low | 169 Ų | 169 | 115.6 Ų | 115.6 | 90% | 0.904 | 66% | 0.658 | S | S | * | * | trans | -64.3 | 151.4 | -165.9 | -68.3 | -31.1 | 0 | 0 | 0 | 114.6 | ||||
| 171 | G | 42.9 | Very low | 43.2 | Very low | 71 Ų | 71 | 118.3 Ų | 118.3 | 73% | 0.732 | 67% | 0.668 | S | S | * | * | trans | -62.4 | 158.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 172 | S | 34.9 | Very low | 44.7 | Very low | 125 Ų | 125 | 117 Ų | 117 | 87% | 0.874 | 66% | 0.661 | S | S | * | * | trans | -163.3 | 136.7 | 151.6 | -81.6 | 0 | 0 | 0 | 0 | 109.7 | N174 | S172-N174 PolarHBondContact O-N 3.33Å; S172-N174 VanDerWaalsContact O-N 3.09Å | ||
| 173 | S | 43.2 | Very low | 46.4 | Very low | 115 Ų | 115 | 116.2 Ų | 116.2 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -53.2 | 100.9 | 178.6 | 48.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 174 | N | 38.2 | Very low | 48.5 | Very low | 135 Ų | 135 | 115.5 Ų | 115.5 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | trans | -168.2 | 56 | 157 | -115.9 | -52.6 | 0 | 0 | 0 | 112.1 | S172 K176 | S172-N174 PolarHBondContact O-N 3.33Å; S172-N174 VanDerWaalsContact O-N 3.09Å; N174-K176 PolarHBondContact O-N 3.09Å | ||
| 175 | L | 44.1 | Very low | 50.7 | Low | 101 Ų | 101 | 111.7 Ų | 111.7 | 53% | 0.529 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.5 | -4.7 | -165.6 | -155.5 | 67.5 | 0 | 0 | 0 | 116 | L160 | L160-L175 HydrophobicContact CD2-CD2 4.05Š|
| 176 | K | 42.8 | Very low | 52.7 | Low | 190 Ų | 190 | 107.8 Ų | 107.8 | 83% | 0.826 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -23.9 | -174.7 | -75.6 | -174.8 | 175.5 | -178.8 | 0 | 114.8 | N174 | N174-K176 PolarHBondContact O-N 3.09Š|
| 177 | S | 41.2 | Very low | 54.9 | Low | 90 Ų | 90 | 101 Ų | 101 | 63% | 0.629 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -13.5 | -173.3 | 27.6 | 0 | 0 | 0 | 0 | 114 | ||
| 178 | Q | 48 | Very low | 57.4 | Low | 154 Ų | 154 | 96.2 Ų | 96.2 | 72% | 0.72 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -15.5 | -176.7 | -127.1 | 175 | 8.7 | 0 | 0 | 113.7 | ||
| 179 | E | 56 | Low | 59.3 | Low | 80 Ų | 80 | 99.2 Ų | 99.2 | 37% | 0.374 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -76.8 | -27.9 | -177.9 | -65.4 | -179.3 | 146.5 | 0 | 0 | 113.4 | E181 K185 | E179-E181 VanDerWaalsContact C-N 3.27Å; E179-E181 PolarHBondContact O-N 2.79Å; E179-K185 WeakPolarHBondContact O-CE 3.46Å; E179-K185 PolarHBondContact O-NZ 3.04Å |
| 180 | D | 58.7 | Low | 61.1 | Low | 56 Ų | 56 | 90.3 Ų | 90.3 | 30% | 0.299 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -29 | -177.3 | -97.6 | -0.4 | 0 | 0 | 0 | 112.6 | Y215 K237 | D180-Y215 HydrophobicContact CB-CD1 4.22Å; D180-K237 IonicContact OD2-NZ 2.71Å; D180-K237 PolarHBondContact OD2-NZ 3.22Å; D180-K237 VanDerWaalsContact OD2-NZ 3.17Å |
| 181 | E | 66.1 | Low | 62.8 | Low | 153 Ų | 153 | 88 Ų | 88 | 72% | 0.715 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -0.8 | -175.1 | -68.1 | -94.5 | 112.6 | 0 | 0 | 113.3 | E179 | E179-E181 VanDerWaalsContact C-N 3.27Å; E179-E181 PolarHBondContact O-N 2.79Å |
| 182 | A | 72.1 | Confident | 64.5 | Low | 15 Ų | 15 | 87 Ų | 87 | 12% | 0.124 | 46% | 0.458 | C | S | . | . | trans | -57.8 | 132.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | I184 W214 | A182-I184 VanDerWaalsContact C-N 3.26Å; A182-I184 PolarHBondContact O-N 3.28Å; A182-W214 WeakPolarHBondContact O-CZ2 3.23Å | ||
| 183 | P | 81.6 | Confident | 66.8 | Low | 79 Ų | 79 | 86.2 Ų | 86.2 | 51% | 0.513 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -72.9 | -19.4 | -177.1 | 27.2 | -34.2 | 0 | 0 | 0 | 113.1 | E195 R196 | P183-E195 WeakPolarHBondContact O-CA 3.45Å; P183-R196 PolarHBondContact O-N 2.98Å |
| 184 | I | 84.3 | Confident | 68.7 | Low | 81 Ų | 81 | 81.7 Ų | 81.7 | 42% | 0.415 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 128.8 | -176.6 | -57.2 | 173 | 0 | 0 | 0 | 109.2 | A182 Y193 I194 E195 | A182-I184 VanDerWaalsContact C-N 3.26Å; A182-I184 PolarHBondContact O-N 3.28Å; I184-Y193 HydrophobicContact CG2-CD1 4.01Å; I184-Y193 HydrophobicContact CG2-CG 4.47Å; I184-I194 WeakPolarHBondContact CA-O 3.42Å; I184-E195 HydrophobicContact CG1-CB 4.46Å |
| 185 | K | 85.7 | Confident | 71 | Confident | 26 Ų | 26 | 81.7 Ų | 81.7 | 11% | 0.113 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 166.9 | 173.7 | -62.9 | -173.4 | -175.8 | -170.9 | 0 | 111.1 | E179 Y193 I194 W214 L217 | E179-K185 WeakPolarHBondContact O-CE 3.46Å; E179-K185 PolarHBondContact O-NZ 3.04Å; K185-Y193 CarbonylContact O-C 3.57Å; K185-Y193 WeakPolarHBondContact O-CA 3.47Å; K185-I194 PolarHBondContact N-O 2.79Å; K185-I194 PolarHBondContact O-N 2.93Å; K185-W214 HydrophobicContact CB-CE3 4.14Å; K185-W214 HydrophobicContact CB-CH2 3.59Å; K185-W214 HydrophobicContact CB-CZ2 4.12Å; K185-W214 HydrophobicContact CB-CZ3 3.56Å; K185-W214 HydrophobicContact CD-CD2 3.78Å; K185-W214 HydrophobicContact CD-CE3 3.93Å; K185-W214 HydrophobicContact CD-CG 4.49Å; K185-W214 HydrophobicContact CD-CH2 4.1Å; K185-W214 HydrophobicContact CD-CZ2 3.82Å; K185-W214 HydrophobicContact CD-CZ3 4.12Å; K185-W214 WeakPolarHBondContact CD-O 3.2Å; K185-W214 HydrophobicContact CG-CD2 4.36Å; K185-W214 HydrophobicContact CG-CE3 4.25Å; K185-W214 HydrophobicContact CG-CH2 3.59Å; K185-W214 HydrophobicContact CG-CZ2 3.57Å; K185-W214 HydrophobicContact CG-CZ3 3.91Å; K185-W214 PolarHBondContact NZ-O 3.27Å; K185-L217 HydrophobicContact CD-CD2 4.2Å |
| 186 | R | 82.5 | Confident | 72.9 | Confident | 94 Ų | 94 | 79.6 Ų | 79.6 | 36% | 0.355 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 140.3 | 176.2 | -65.1 | -176.6 | -169.9 | 131.4 | 0.7 | 110.9 | K191 V192 Y193 | R186-K191 WeakPolarHBondContact CG-O 3.43Å; R186-V192 CarbonylContact C-O 3.55Å; R186-V192 WeakPolarHBondContact CA-O 3.32Å; R186-Y193 HydrophobicContact CG-CD1 3.66Å; R186-Y193 HydrophobicContact CG-CE1 3.61Å; R186-Y193 HydrophobicContact CG-CG 4.35Å; R186-Y193 VanDerWaalsContact NE-CZ 3.26Å; R186-Y193 PolarHBondContact NE-OH 3.14Å; R186-Y193 VanDerWaalsContact NE-OH 3.17Å; R186-Y193 PolarHBondContact NH2-OH 3.09Å |
| 187 | C | 84.6 | Confident | 74.1 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -56 | 129.2 | 171.2 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | K189 K191 V192 I194 C205 C208 | C187-K189 PolarHBondContact O-N 3.36Å; C187-K191 WeakPolarHBondContact O-CA 3.47Å; C187-K191 PolarHBondContact O-N 2.79Å; C187-V192 HydrophobicContact CB-CG1 4.2Å; C187-V192 PolarHBondContact N-O 3.27Å; C187-I194 HydrophobicContact CB-CD1 3.65Å; C187-I194 HydrophobicContact CB-CG1 4.5Å; C187-C205 HydrophobicContact CB-CB 4.36Å; C187-C208 VanDerWaalsContact SG-SG 3.66Å | ||
| 188 | P | 84.3 | Confident | 75.5 | Confident | 31 Ų | 31 | 80.4 Ų | 80.4 | 20% | 0.201 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.1 | -179 | 22.2 | -30.8 | 0 | 0 | 0 | 113 | K191 F212 L217 | P188-K191 WeakPolarHBondContact O-CE 3.43Å; P188-K191 PolarHBondContact O-NZ 2.77Å; P188-F212 HydrophobicContact CG-CB 3.73Å; P188-F212 HydrophobicContact CG-CD1 4.16Å; P188-F212 HydrophobicContact CG-CD2 3.91Å; P188-F212 HydrophobicContact CG-CG 3.66Å; P188-L217 HydrophobicContact CB-CB 4.26Å; P188-L217 WeakPolarHBondContact CB-O 3.27Å; P188-L217 HydrophobicContact CG-CB 4.43Å; P188-L217 WeakPolarHBondContact CG-O 3.34Å |
| 189 | K | 78.7 | Confident | 76.8 | Confident | 123 Ų | 123 | 75.3 Ų | 75.3 | 54% | 0.535 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -58.5 | 179.4 | -167.9 | 175.7 | -171.3 | 174.2 | 0 | 113.2 | C187 H210 | C187-K189 PolarHBondContact O-N 3.36Å; K189-H210 HydrophobicContact CB-CB 4Å; K189-H210 HydrophobicContact CD-CB 3.71Å |
| 190 | C | 73.6 | Confident | 78.1 | Confident | 8 Ų | 8 | 73.3 Ų | 73.3 | 5% | 0.054 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 6.1 | -171.8 | 60.2 | 0 | 0 | 0 | 0 | 114.9 | V192 C205 C208 | C190-V192 HydrophobicContact CB-CG1 4.36Å; C190-V192 PolarHBondContact O-N 3Å; C190-V192 WeakPolarHBondContact SG-CG1 3.43Å; C190-C205 VanDerWaalsContact SG-SG 3.61Å; C190-C208 HydrophobicContact CB-CB 4.08Å; C190-C208 VanDerWaalsContact SG-CB 3.57Å; C190-C208 PolarHBondContact SG-SG 3.46Å |
| 191 | K | 75.3 | Confident | 79.5 | Confident | 122 Ų | 122 | 70.6 Ų | 70.6 | 53% | 0.53 | 35% | 0.353 | S | S | . | . | trans | 61 | 4.7 | 170.8 | -47.2 | -61.8 | 175.7 | -169.6 | 0 | 117.3 | R186 C187 P188 | R186-K191 WeakPolarHBondContact CG-O 3.43Å; C187-K191 WeakPolarHBondContact O-CA 3.47Å; C187-K191 PolarHBondContact O-N 2.79Å; P188-K191 WeakPolarHBondContact O-CE 3.43Å; P188-K191 PolarHBondContact O-NZ 2.77Å | ||
| 192 | V | 78.6 | Confident | 80.6 | Confident | 48 Ų | 48 | 66.3 Ų | 66.3 | 29% | 0.291 | 33% | 0.333 | S | S | . | . | trans | -60.9 | 142.2 | 167.9 | 28.9 | 0 | 0 | 0 | 0 | 110.4 | R186 C187 C190 N207 | R186-V192 CarbonylContact C-O 3.55Å; R186-V192 WeakPolarHBondContact CA-O 3.32Å; C187-V192 HydrophobicContact CB-CG1 4.2Å; C187-V192 PolarHBondContact N-O 3.27Å; C190-V192 HydrophobicContact CB-CG1 4.36Å; C190-V192 PolarHBondContact O-N 3Å; C190-V192 WeakPolarHBondContact SG-CG1 3.43Å; V192-N207 HydrophobicContact CG1-CB 3.98Å | ||
| 193 | Y | 82.3 | Confident | 81.4 | Confident | 109 Ų | 109 | 66.4 Ų | 66.4 | 43% | 0.427 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 136.2 | 173.9 | -64.3 | -80.7 | 0 | 0 | 0 | 111.3 | I162 I184 K185 R186 | I162-Y193 HydrophobicContact CD1-CD1 4.4Å; I162-Y193 HydrophobicContact CD1-CE1 3.75Å; I162-Y193 HydrophobicContact CD1-CE2 4.08Å; I162-Y193 HydrophobicContact CG1-CE1 4.21Å; I184-Y193 HydrophobicContact CG2-CD1 4.01Å; I184-Y193 HydrophobicContact CG2-CG 4.47Å; K185-Y193 CarbonylContact O-C 3.57Å; K185-Y193 WeakPolarHBondContact O-CA 3.47Å; R186-Y193 HydrophobicContact CG-CD1 3.66Å; R186-Y193 HydrophobicContact CG-CE1 3.61Å; R186-Y193 HydrophobicContact CG-CG 4.35Å; R186-Y193 VanDerWaalsContact NE-CZ 3.26Å; R186-Y193 PolarHBondContact NE-OH 3.14Å; R186-Y193 VanDerWaalsContact NE-OH 3.17Å; R186-Y193 PolarHBondContact NH2-OH 3.09Å |
| 194 | I | 84.6 | Confident | 81.7 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 11% | 0.108 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 125.7 | -178.8 | -64.2 | 173.9 | 0 | 0 | 0 | 106.3 | I184 K185 C187 M203 C205 F212 W214 | I184-I194 WeakPolarHBondContact CA-O 3.42Å; K185-I194 PolarHBondContact N-O 2.79Å; K185-I194 PolarHBondContact O-N 2.93Å; C187-I194 HydrophobicContact CB-CD1 3.65Å; C187-I194 HydrophobicContact CB-CG1 4.5Å; I194-M203 HydrophobicContact CG2-CE 3.38Å; I194-M203 HydrophobicContact CG2-SD 4Å; I194-C205 HydrophobicContact CD1-CB 3.89Å; I194-F212 HydrophobicContact CD1-CE1 3.63Å; I194-F212 HydrophobicContact CD1-CZ 3.55Å; I194-W214 HydrophobicContact CG2-CZ3 4.28Å; I194-W214 WeakPolarHBondContact O-CH2 3.42Å |
| 195 | E | 86.1 | Confident | 81.8 | Confident | 134 Ų | 134 | 64.5 Ų | 64.5 | 63% | 0.626 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 142.3 | 168 | -177.1 | 174.9 | -169.3 | 0 | 0 | 109.6 | P183 I184 D197 M203 | P183-E195 WeakPolarHBondContact O-CA 3.45Å; I184-E195 HydrophobicContact CG1-CB 4.46Å; E195-D197 PolarHBondContact O-N 2.79Å; E195-M203 WeakPolarHBondContact O-CE 3.42Å |
| 196 | R | 83.3 | Confident | 81.7 | Confident | 57 Ų | 57 | 70.2 Ų | 70.2 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | trans | -80.8 | 109.1 | 178 | -173.1 | -178.6 | -174.9 | -177.9 | -0.7 | 110.8 | P183 E198 W214 Y215 | P183-R196 PolarHBondContact O-N 2.98Å; R196-E198 PolarHBondContact O-N 2.63Å; R196-W214 HydrophobicContact CB-CH2 3.86Å; R196-W214 HydrophobicContact CB-CZ2 3.59Å; R196-W214 HydrophobicContact CG-CZ2 4.35Å; R196-Y215 PolarHBondContact NH2-OH 3.49Å | ||
| 197 | D | 69.1 | Low | 81.4 | Confident | 102 Ų | 102 | 67.4 Ų | 67.4 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | trans | -66.1 | 124 | 162.1 | -58.4 | -32.1 | 0 | 0 | 0 | 107.8 | E195 K206 | E195-D197 PolarHBondContact O-N 2.79Å; D197-K206 IonicContact OD2-NZ 3.17Å | ||
| 198 | E | 70.8 | Confident | 81 | Confident | 195 Ų | 195 | 68.1 Ų | 68.1 | 91% | 0.911 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 148.6 | -171.9 | -65.1 | -175.9 | 153.9 | 0 | 0 | 113.5 | R196 | R196-E198 PolarHBondContact O-N 2.63Š|
| 199 | G | 74.4 | Confident | 81 | Confident | 47 Ų | 47 | 71.3 Ų | 71.3 | 49% | 0.485 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.6 | -20.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 118 | G239 | G199-G239 CarbonylContact O-C 3.23Å; G199-G239 VanDerWaalsContact O-C 3.23Å; G199-G239 VanDerWaalsContact O-CA 3.3Å; G199-G239 WeakPolarHBondContact O-CA 3.31Å |
| 200 | C | 84.5 | Confident | 81.3 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | trans | -126.3 | 134.1 | 175.4 | -168.9 | 0 | 0 | 0 | 0 | 112.2 | Q202 L238 H240 | C200-Q202 PolarHBondContact SG-N 3.45Å; C200-Q202 VanDerWaalsContact SG-N 3.41Å; C200-Q202 PolarHBondContact SG-O 3.28Å; C200-Q202 VanDerWaalsContact SG-O 3.36Å; C200-L238 WeakPolarHBondContact CA-O 3.36Å; C200-H240 PolarHBondContact SG-CE1 3.47Å | ||
| 201 | A | 87.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -90.4 | -17.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | M203 W214 Y215 Y229 K237 L238 | A201-M203 PolarHBondContact O-N 3.39Å; A201-W214 WeakPolarHBondContact O-CB 3.12Å; A201-W214 PolarHBondContact O-N 3.02Å; A201-Y215 HydrophobicContact CB-CD2 3.97Å; A201-Y215 HydrophobicContact CB-CE2 3.42Å; A201-Y215 VanDerWaalsContact CB-CE2 3.42Å; A201-Y229 HydrophobicContact CB-CE1 3.89Å; A201-Y229 PolarHBondContact O-OH 3.32Å; A201-K237 WeakPolarHBondContact CB-O 3.33Å; A201-L238 PolarHBondContact N-O 2.76Å |
| 202 | Q | 88.7 | Confident | 82.8 | Confident | 63 Ų | 63 | 60.2 Ų | 60.2 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 112.9 | 168.3 | 179.8 | -171.3 | 17.3 | 0 | 0 | 107.8 | C200 L220 L226 Y229 L238 | C200-Q202 PolarHBondContact SG-N 3.45Å; C200-Q202 VanDerWaalsContact SG-N 3.41Å; C200-Q202 PolarHBondContact SG-O 3.28Å; C200-Q202 VanDerWaalsContact SG-O 3.36Å; Q202-L220 HydrophobicContact CB-CD1 4.25Å; Q202-L220 HydrophobicContact CG-CD1 3.92Å; Q202-L226 HydrophobicContact CG-CD2 4.5Å; Q202-Y229 PolarHBondContact N-OH 3.25Å; Q202-Y229 VanDerWaalsContact N-OH 3.14Å; Q202-L238 HydrophobicContact CB-CD1 4.13Å |
| 203 | M | 88.4 | Confident | 83.3 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 148.1 | 177.8 | -63.8 | -151.5 | 74.7 | 0 | 0 | 110.5 | I194 E195 A201 A211 F212 W214 | I194-M203 HydrophobicContact CG2-CE 3.38Å; I194-M203 HydrophobicContact CG2-SD 4Å; E195-M203 WeakPolarHBondContact O-CE 3.42Å; A201-M203 PolarHBondContact O-N 3.39Å; M203-A211 CarbonylContact O-C 3.55Å; M203-A211 VanDerWaalsContact O-CA 3.27Å; M203-A211 WeakPolarHBondContact O-CA 3.45Å; M203-F212 HydrophobicContact CB-CD1 4.47Å; M203-F212 HydrophobicContact CB-CE1 3.95Å; M203-F212 HydrophobicContact CB-CE2 4.14Å; M203-F212 HydrophobicContact CB-CZ 3.75Å; M203-F212 PolarHBondContact N-O 2.76Å; M203-F212 PolarHBondContact O-N 3.49Å; M203-W214 HydrophobicContact CE-CZ3 4.37Å; M203-W214 HydrophobicContact CG-CB 4.32Å; M203-W214 HydrophobicContact CG-CE3 4.1Å; M203-W214 HydrophobicContact SD-CB 4.48Å; M203-W214 HydrophobicContact SD-CD2 3.77Å; M203-W214 HydrophobicContact SD-CE3 3Å; M203-W214 HydrophobicContact SD-CG 4.42Å; M203-W214 HydrophobicContact SD-CH2 4.17Å; M203-W214 HydrophobicContact SD-CZ3 3.23Å; M203-W214 WeakPolarHBondContact SD-CZ3 3.41Å |
| 204 | M | 88.7 | Confident | 83.7 | Confident | 119 Ų | 119 | 52.7 Ų | 52.7 | 59% | 0.586 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 120 | 170.8 | -175.2 | 178.6 | -71.5 | 0 | 0 | 108.5 | K206 H210 | M204-K206 PolarHBondContact O-N 3.18Å; M204-H210 WeakPolarHBondContact CA-O 3.46Å |
| 205 | C | 85.7 | Confident | 83.8 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | trans | -63.4 | 118.1 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | C187 C190 I194 N207 C208 K209 H210 F212 | C187-C205 HydrophobicContact CB-CB 4.36Å; C190-C205 VanDerWaalsContact SG-SG 3.61Å; I194-C205 HydrophobicContact CD1-CB 3.89Å; C205-N207 PolarHBondContact O-N 3.09Å; C205-C208 VanDerWaalsContact CB-SG 3.59Å; C205-C208 PolarHBondContact SG-N 3.47Å; C205-K209 WeakPolarHBondContact O-CA 3.19Å; C205-K209 PolarHBondContact O-N 2.98Å; C205-H210 HydrophobicContact CB-CB 4.49Å; C205-H210 PolarHBondContact N-O 3.1Å; C205-F212 HydrophobicContact CB-CE1 4.37Å | ||
| 206 | K | 83.1 | Confident | 83.8 | Confident | 146 Ų | 146 | 49.8 Ų | 49.8 | 64% | 0.635 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -31.2 | 179.8 | -67.2 | -179.7 | -177.6 | 168.5 | 0 | 112.4 | D197 M204 K209 | D197-K206 IonicContact OD2-NZ 3.17Å; M204-K206 PolarHBondContact O-N 3.18Å; K206-K209 WeakPolarHBondContact O-CE 3.25Å; K206-K209 PolarHBondContact O-NZ 2.84Å |
| 207 | N | 76.9 | Confident | 84 | Confident | 34 Ų | 34 | 50.4 Ų | 50.4 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -57.7 | -179.3 | -174.3 | 35.2 | 0 | 0 | 0 | 113.6 | R100 V192 C205 | R100-N207 PolarHBondContact NH2-O 3.33Å; V192-N207 HydrophobicContact CG1-CB 3.98Å; C205-N207 PolarHBondContact O-N 3.09Å |
| 208 | C | 76.4 | Confident | 84.8 | Confident | 15 Ų | 15 | 51 Ų | 51 | 10% | 0.101 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 1.5 | -175.2 | 73.6 | 0 | 0 | 0 | 0 | 115 | L104 C187 C190 C205 H210 | L104-C208 HydrophobicContact CD2-CB 3.99Å; C187-C208 VanDerWaalsContact SG-SG 3.66Å; C190-C208 HydrophobicContact CB-CB 4.08Å; C190-C208 VanDerWaalsContact SG-CB 3.57Å; C190-C208 PolarHBondContact SG-SG 3.46Å; C205-C208 VanDerWaalsContact CB-SG 3.59Å; C205-C208 PolarHBondContact SG-N 3.47Å; C208-H210 PolarHBondContact O-N 2.84Å; C208-H210 WeakPolarHBondContact SG-CB 3.23Å |
| 209 | K | 84.2 | Confident | 85.6 | Confident | 99 Ų | 99 | 44.7 Ų | 44.7 | 43% | 0.43 | 24% | 0.239 | S | C | . | . | trans | 58.5 | 9.3 | -177.8 | -49.1 | -55.2 | -172.4 | -166.9 | 0 | 115.7 | E60 C205 K206 A211 | E60-K209 IonicContact OE1-NZ 2.6Å; C205-K209 WeakPolarHBondContact O-CA 3.19Å; C205-K209 PolarHBondContact O-N 2.98Å; K206-K209 WeakPolarHBondContact O-CE 3.25Å; K206-K209 PolarHBondContact O-NZ 2.84Å; K209-A211 PolarHBondContact O-N 3.31Å | ||
| 210 | H | 85.2 | Confident | 86.2 | Confident | 13 Ų | 13 | 42.7 Ų | 42.7 | 6% | 0.06 | 22% | 0.218 | C | C | . | . | trans | -64.5 | 124.8 | 175 | -176.8 | 59.8 | 0 | 0 | 0 | 111.1 | K189 M204 C205 C208 F212 S219 D221 | K189-H210 HydrophobicContact CB-CB 4Å; K189-H210 HydrophobicContact CD-CB 3.71Å; M204-H210 WeakPolarHBondContact CA-O 3.46Å; C205-H210 HydrophobicContact CB-CB 4.49Å; C205-H210 PolarHBondContact N-O 3.1Å; C208-H210 PolarHBondContact O-N 2.84Å; C208-H210 WeakPolarHBondContact SG-CB 3.23Å; H210-F212 AromaticContact CD2-CD1 3.98Å; H210-S219 PolarHBondContact CE1-OG 3.08Å; H210-S219 VanDerWaalsContact CE1-OG 3.25Å; H210-D221 IonicContact CE1-OD2 3.94Å; H210-D221 PolarHBondContact CE1-OD2 3.25Å; H210-D221 IonicContact CG-OD2 2.73Å; H210-D221 VanDerWaalsContact ND1-CG 3.34Å; H210-D221 IonicContact ND1-OD1 3.42Å; H210-D221 PolarHBondContact ND1-OD1 3.3Å; H210-D221 IonicContact ND1-OD2 3.99Å; H210-D221 PolarHBondContact ND1-OD2 3.36Å | ||
| 211 | A | 89.8 | Confident | 86.1 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 5% | 0.05 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 131.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | M203 K209 L220 D221 | M203-A211 CarbonylContact O-C 3.55Å; M203-A211 VanDerWaalsContact O-CA 3.27Å; M203-A211 WeakPolarHBondContact O-CA 3.45Å; K209-A211 PolarHBondContact O-N 3.31Å; A211-L220 HydrophobicContact CB-CB 4.28Å; A211-L220 PolarHBondContact O-N 3.35Å; A211-D221 PolarHBondContact N-OD1 3.45Å |
| 212 | F | 90.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 161.1 | -179.3 | 66 | -82.1 | 0 | 0 | 0 | 112 | P188 I194 M203 C205 H210 W214 L217 E218 | P188-F212 HydrophobicContact CG-CB 3.73Å; P188-F212 HydrophobicContact CG-CD1 4.16Å; P188-F212 HydrophobicContact CG-CD2 3.91Å; P188-F212 HydrophobicContact CG-CG 3.66Å; I194-F212 HydrophobicContact CD1-CE1 3.63Å; I194-F212 HydrophobicContact CD1-CZ 3.55Å; M203-F212 HydrophobicContact CB-CD1 4.47Å; M203-F212 HydrophobicContact CB-CE1 3.95Å; M203-F212 HydrophobicContact CB-CE2 4.14Å; M203-F212 HydrophobicContact CB-CZ 3.75Å; M203-F212 PolarHBondContact N-O 2.76Å; M203-F212 PolarHBondContact O-N 3.49Å; C205-F212 HydrophobicContact CB-CE1 4.37Å; H210-F212 AromaticContact CD2-CD1 3.98Å; F212-W214 HydrophobicContact CE2-CE3 4.32Å; F212-L217 HydrophobicContact CD2-CD2 4.03Å; F212-L217 HydrophobicContact CE2-CD2 3.93Å; F212-E218 CarbonylContact C-O 3.58Å; F212-E218 WeakPolarHBondContact CA-O 3.29Å; F212-E218 WeakPolarHBondContact CB-O 3.3Å |
| 213 | C | 89.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 130 | 175 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | Y215 C216 L217 E218 L220 H228 | C213-Y215 VanDerWaalsContact C-N 3.27Å; C213-Y215 PolarHBondContact O-N 3.22Å; C213-C216 WeakPolarHBondContact CB-SG 3.39Å; C213-C216 VanDerWaalsContact SG-SG 3.61Å; C213-L217 WeakPolarHBondContact O-CA 3.25Å; C213-L217 PolarHBondContact O-N 3.24Å; C213-E218 PolarHBondContact N-O 2.83Å; C213-L220 HydrophobicContact CB-CD1 3.98Å; C213-L220 HydrophobicContact CB-CG 4.35Å; C213-H228 PolarHBondContact SG-NE2 2.85Å |
| 214 | W | 89.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -33.5 | -179.8 | -176.8 | -110.6 | 0 | 0 | 0 | 114.2 | A182 K185 I194 R196 A201 M203 F212 | A182-W214 WeakPolarHBondContact O-CZ2 3.23Å; K185-W214 HydrophobicContact CB-CE3 4.14Å; K185-W214 HydrophobicContact CB-CH2 3.59Å; K185-W214 HydrophobicContact CB-CZ2 4.12Å; K185-W214 HydrophobicContact CB-CZ3 3.56Å; K185-W214 HydrophobicContact CD-CD2 3.78Å; K185-W214 HydrophobicContact CD-CE3 3.93Å; K185-W214 HydrophobicContact CD-CG 4.49Å; K185-W214 HydrophobicContact CD-CH2 4.1Å; K185-W214 HydrophobicContact CD-CZ2 3.82Å; K185-W214 HydrophobicContact CD-CZ3 4.12Å; K185-W214 WeakPolarHBondContact CD-O 3.2Å; K185-W214 HydrophobicContact CG-CD2 4.36Å; K185-W214 HydrophobicContact CG-CE3 4.25Å; K185-W214 HydrophobicContact CG-CH2 3.59Å; K185-W214 HydrophobicContact CG-CZ2 3.57Å; K185-W214 HydrophobicContact CG-CZ3 3.91Å; K185-W214 PolarHBondContact NZ-O 3.27Å; I194-W214 HydrophobicContact CG2-CZ3 4.28Å; I194-W214 WeakPolarHBondContact O-CH2 3.42Å; R196-W214 HydrophobicContact CB-CH2 3.86Å; R196-W214 HydrophobicContact CB-CZ2 3.59Å; R196-W214 HydrophobicContact CG-CZ2 4.35Å; A201-W214 WeakPolarHBondContact O-CB 3.12Å; A201-W214 PolarHBondContact O-N 3.02Å; M203-W214 HydrophobicContact CE-CZ3 4.37Å; M203-W214 HydrophobicContact CG-CB 4.32Å; M203-W214 HydrophobicContact CG-CE3 4.1Å; M203-W214 HydrophobicContact SD-CB 4.48Å; M203-W214 HydrophobicContact SD-CD2 3.77Å; M203-W214 HydrophobicContact SD-CE3 3Å; M203-W214 HydrophobicContact SD-CG 4.42Å; M203-W214 HydrophobicContact SD-CH2 4.17Å; M203-W214 HydrophobicContact SD-CZ3 3.23Å; M203-W214 WeakPolarHBondContact SD-CZ3 3.41Å; F212-W214 HydrophobicContact CE2-CE3 4.32Å |
| 215 | Y | 87.1 | Confident | 84 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 16% | 0.161 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -51.5 | -173.9 | -59.2 | -73.8 | 0 | 0 | 0 | 111.9 | D180 R196 A201 C213 K237 | D180-Y215 HydrophobicContact CB-CD1 4.22Å; R196-Y215 PolarHBondContact NH2-OH 3.49Å; A201-Y215 HydrophobicContact CB-CD2 3.97Å; A201-Y215 HydrophobicContact CB-CE2 3.42Å; A201-Y215 VanDerWaalsContact CB-CE2 3.42Å; C213-Y215 VanDerWaalsContact C-N 3.27Å; C213-Y215 PolarHBondContact O-N 3.22Å; Y215-K237 HydrophobicContact CD1-CD 4.21Å; Y215-K237 HydrophobicContact CD2-CB 3.8Å; Y215-K237 HydrophobicContact CD2-CD 3.78Å; Y215-K237 HydrophobicContact CD2-CG 4.47Å; Y215-K237 HydrophobicContact CE1-CD 4.28Å; Y215-K237 HydrophobicContact CE2-CB 3.4Å; Y215-K237 VanDerWaalsContact CE2-CB 3.4Å; Y215-K237 HydrophobicContact CE2-CD 3.85Å; Y215-K237 HydrophobicContact CE2-CG 4.25Å; Y215-K237 WeakPolarHBondContact CE2-O 3.47Å; Y215-K237 HydrophobicContact CG-CD 3.95Å |
| 216 | C | 86.7 | Confident | 83.7 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 36% | 0.358 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -7.1 | -176.5 | 65.3 | 0 | 0 | 0 | 0 | 114.5 | C213 E218 H228 C234 | C213-C216 WeakPolarHBondContact CB-SG 3.39Å; C213-C216 VanDerWaalsContact SG-SG 3.61Å; C216-E218 PolarHBondContact O-N 3.17Å; C216-E218 VanDerWaalsContact O-N 3.11Å; C216-E218 WeakPolarHBondContact SG-CB 3.34Å; C216-H228 PolarHBondContact SG-CE1 3.48Å; C216-H228 PolarHBondContact SG-NE2 2.71Å; C216-C234 VanDerWaalsContact SG-SG 3.69Å |
| 217 | L | 86.9 | Confident | 83.7 | Confident | 69 Ų | 69 | 51.5 Ų | 51.5 | 36% | 0.361 | 27% | 0.266 | S | S | . | . | trans | 58.1 | 19.5 | -176.6 | -53.4 | 177.6 | 0 | 0 | 0 | 114.3 | K185 P188 F212 C213 | K185-L217 HydrophobicContact CD-CD2 4.2Å; P188-L217 HydrophobicContact CB-CB 4.26Å; P188-L217 WeakPolarHBondContact CB-O 3.27Å; P188-L217 HydrophobicContact CG-CB 4.43Å; P188-L217 WeakPolarHBondContact CG-O 3.34Å; F212-L217 HydrophobicContact CD2-CD2 4.03Å; F212-L217 HydrophobicContact CE2-CD2 3.93Å; C213-L217 WeakPolarHBondContact O-CA 3.25Å; C213-L217 PolarHBondContact O-N 3.24Å | ||
| 218 | E | 85.8 | Confident | 84.2 | Confident | 115 Ų | 115 | 51.6 Ų | 51.6 | 54% | 0.537 | 27% | 0.265 | S | S | . | . | trans | -77.6 | 145.3 | 176.9 | -164.8 | 167.9 | -160.1 | 0 | 0 | 110.9 | F212 C213 C216 H228 | F212-E218 CarbonylContact C-O 3.58Å; F212-E218 WeakPolarHBondContact CA-O 3.29Å; F212-E218 WeakPolarHBondContact CB-O 3.3Å; C213-E218 PolarHBondContact N-O 2.83Å; C216-E218 PolarHBondContact O-N 3.17Å; C216-E218 VanDerWaalsContact O-N 3.11Å; C216-E218 WeakPolarHBondContact SG-CB 3.34Å; E218-H228 IonicContact OE2-CE1 3.38Å; E218-H228 PolarHBondContact OE2-CE1 3.42Å; E218-H228 IonicContact OE2-ND1 3.89Å; E218-H228 PolarHBondContact OE2-ND1 2.67Å | ||
| 219 | S | 87.1 | Confident | 84.7 | Confident | 62 Ų | 62 | 51.1 Ų | 51.1 | 43% | 0.434 | 26% | 0.261 | S | S | . | . | B | Isolated β-bridge | trans | -62.1 | 132.8 | 177.2 | -179.6 | 0 | 0 | 0 | 0 | 111 | H210 D221 | H210-S219 PolarHBondContact CE1-OG 3.08Å; H210-S219 VanDerWaalsContact CE1-OG 3.25Å; S219-D221 PolarHBondContact OG-N 3.14Å |
| 220 | L | 88.1 | Confident | 84.7 | Confident | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | trans | -117.6 | 14.1 | 173.1 | -61.1 | 179.6 | 0 | 0 | 0 | 111.9 | Q202 A211 C213 D222 D223 H228 Y229 | Q202-L220 HydrophobicContact CB-CD1 4.25Å; Q202-L220 HydrophobicContact CG-CD1 3.92Å; A211-L220 HydrophobicContact CB-CB 4.28Å; A211-L220 PolarHBondContact O-N 3.35Å; C213-L220 HydrophobicContact CB-CD1 3.98Å; C213-L220 HydrophobicContact CB-CG 4.35Å; L220-D222 PolarHBondContact O-N 3.02Å; L220-D223 HydrophobicContact CB-CB 4.49Å; L220-D223 HydrophobicContact CD2-CB 4.08Å; L220-D223 PolarHBondContact O-N 2.87Å; L220-H228 HydrophobicContact CD2-CB 3.57Å; L220-Y229 HydrophobicContact CD1-CE2 3.99Å | ||
| 221 | D | 81.1 | Confident | 84.5 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -37.1 | -178.4 | -74.8 | -21.9 | 0 | 0 | 0 | 112 | H210 A211 S219 F224 | H210-D221 IonicContact CE1-OD2 3.94Å; H210-D221 PolarHBondContact CE1-OD2 3.25Å; H210-D221 IonicContact CG-OD2 2.73Å; H210-D221 VanDerWaalsContact ND1-CG 3.34Å; H210-D221 IonicContact ND1-OD1 3.42Å; H210-D221 PolarHBondContact ND1-OD1 3.3Å; H210-D221 IonicContact ND1-OD2 3.99Å; H210-D221 PolarHBondContact ND1-OD2 3.36Å; A211-D221 PolarHBondContact N-OD1 3.45Å; S219-D221 PolarHBondContact OG-N 3.14Å; D221-F224 WeakPolarHBondContact O-CZ 3.45Å |
| 222 | D | 80.5 | Confident | 84.1 | Confident | 138 Ų | 138 | 59 Ų | 59 | 74% | 0.738 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -5 | 179.7 | -62.5 | -49.6 | 0 | 0 | 0 | 113.9 | L220 F224 | L220-D222 PolarHBondContact O-N 3.02Å; D222-F224 VanDerWaalsContact C-N 3.28Å; D222-F224 VanDerWaalsContact O-CD2 3.23Å; D222-F224 WeakPolarHBondContact O-CD2 3.3Å; D222-F224 PolarHBondContact O-N 3.1Å; D222-F224 VanDerWaalsContact O-N 3.12Å |
| 223 | D | 79.2 | Confident | 83.8 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 16% | 0.16 | 35% | 0.348 | C | S | . | . | trans | -91.3 | 59.6 | -178.5 | -170.9 | 16.5 | 0 | 0 | 0 | 111.7 | L220 L225 L226 I227 H228 | L220-D223 HydrophobicContact CB-CB 4.49Å; L220-D223 HydrophobicContact CD2-CB 4.08Å; L220-D223 PolarHBondContact O-N 2.87Å; D223-L225 PolarHBondContact O-N 2.99Å; D223-L226 PolarHBondContact O-N 3.05Å; D223-L226 PolarHBondContact OD1-N 3.14Å; D223-L226 VanDerWaalsContact OD1-N 3.14Å; D223-L226 WeakPolarHBondContact OD2-CA 3.07Å; D223-I227 VanDerWaalsContact CG-N 3.34Å; D223-I227 PolarHBondContact OD1-N 3.29Å; D223-I227 PolarHBondContact OD2-N 3.47Å; D223-H228 WeakPolarHBondContact OD2-CB 3.07Å; D223-H228 PolarHBondContact OD2-N 2.86Å | ||
| 224 | F | 72.1 | Confident | 83.6 | Confident | 134 Ų | 134 | 64.5 Ų | 64.5 | 59% | 0.588 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.8 | -178.5 | -56.4 | -76.2 | 0 | 0 | 0 | 114.1 | D221 D222 R249 | D221-F224 WeakPolarHBondContact O-CZ 3.45Å; D222-F224 VanDerWaalsContact C-N 3.28Å; D222-F224 VanDerWaalsContact O-CD2 3.23Å; D222-F224 WeakPolarHBondContact O-CD2 3.3Å; D222-F224 PolarHBondContact O-N 3.1Å; D222-F224 VanDerWaalsContact O-N 3.12Å; F224-R249 PolarHBondContact O-NH1 2.81Å |
| 225 | L | 77.6 | Confident | 83.4 | Confident | 112 Ų | 112 | 71.9 Ų | 71.9 | 59% | 0.586 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -5.7 | -179.2 | -69.1 | 179.4 | 0 | 0 | 0 | 112.6 | D223 I227 R242 | D223-L225 PolarHBondContact O-N 2.99Å; L225-I227 HydrophobicContact CB-CD1 3.85Å; L225-I227 HydrophobicContact CB-CG1 3.7Å; L225-I227 HydrophobicContact CD1-CD1 4.03Å; L225-I227 PolarHBondContact O-N 3.22Å; L225-R242 PolarHBondContact O-NE 3.09Å; L225-R242 PolarHBondContact O-NH2 3.46Å |
| 226 | L | 80.3 | Confident | 83.1 | Confident | 12 Ų | 12 | 76.2 Ų | 76.2 | 6% | 0.063 | 40% | 0.403 | C | S | . | . | trans | 60.9 | 34.3 | -178 | -47.1 | 175.1 | 0 | 0 | 0 | 112.3 | Q202 D223 H228 Y229 L238 | Q202-L226 HydrophobicContact CG-CD2 4.5Å; D223-L226 PolarHBondContact O-N 3.05Å; D223-L226 PolarHBondContact OD1-N 3.14Å; D223-L226 VanDerWaalsContact OD1-N 3.14Å; D223-L226 WeakPolarHBondContact OD2-CA 3.07Å; L226-H228 PolarHBondContact O-N 3.49Å; L226-Y229 HydrophobicContact CB-CD2 4.16Å; L226-Y229 PolarHBondContact O-N 2.6Å; L226-L238 HydrophobicContact CD1-CD1 4.27Å; L226-L238 HydrophobicContact CD1-CD2 3.77Å | ||
| 227 | I | 83.6 | Confident | 83 | Confident | 88 Ų | 88 | 77 Ų | 77 | 45% | 0.451 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -65.9 | -26.2 | -179.7 | -61.8 | 166 | 0 | 0 | 0 | 110.6 | D223 L225 Y229 D230 | D223-I227 VanDerWaalsContact CG-N 3.34Å; D223-I227 PolarHBondContact OD1-N 3.29Å; D223-I227 PolarHBondContact OD2-N 3.47Å; L225-I227 HydrophobicContact CB-CD1 3.85Å; L225-I227 HydrophobicContact CB-CG1 3.7Å; L225-I227 HydrophobicContact CD1-CD1 4.03Å; L225-I227 PolarHBondContact O-N 3.22Å; I227-Y229 PolarHBondContact O-N 2.93Å; I227-Y229 VanDerWaalsContact O-N 3.08Å; I227-D230 WeakPolarHBondContact O-CB 3.05Å; I227-D230 PolarHBondContact O-N 3.32Å |
| 228 | H | 87.3 | Confident | 82.9 | Confident | 36 Ų | 36 | 74.1 Ų | 74.1 | 17% | 0.167 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -50.1 | -33.9 | 173.4 | 179.3 | 83.5 | 0 | 0 | 0 | 112.4 | C213 C216 E218 L220 D223 L226 D230 C234 | C213-H228 PolarHBondContact SG-NE2 2.85Å; C216-H228 PolarHBondContact SG-CE1 3.48Å; C216-H228 PolarHBondContact SG-NE2 2.71Å; E218-H228 IonicContact OE2-CE1 3.38Å; E218-H228 PolarHBondContact OE2-CE1 3.42Å; E218-H228 IonicContact OE2-ND1 3.89Å; E218-H228 PolarHBondContact OE2-ND1 2.67Å; L220-H228 HydrophobicContact CD2-CB 3.57Å; D223-H228 WeakPolarHBondContact OD2-CB 3.07Å; D223-H228 PolarHBondContact OD2-N 2.86Å; L226-H228 PolarHBondContact O-N 3.49Å; H228-D230 VanDerWaalsContact C-N 3.33Å; H228-D230 PolarHBondContact O-N 3.43Å; H228-C234 WeakPolarHBondContact NE2-CB 3.33Å; H228-C234 PolarHBondContact NE2-SG 3.48Å |
| 229 | Y | 86.6 | Confident | 82.4 | Confident | 4 Ų | 4 | 71.4 Ų | 71.4 | 2% | 0.016 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -85.7 | 3.7 | -179.4 | -63.1 | -85 | 0 | 0 | 0 | 114.6 | A201 Q202 L220 L226 I227 C234 R235 N236 L238 | A201-Y229 HydrophobicContact CB-CE1 3.89Å; A201-Y229 PolarHBondContact O-OH 3.32Å; Q202-Y229 PolarHBondContact N-OH 3.25Å; Q202-Y229 VanDerWaalsContact N-OH 3.14Å; L220-Y229 HydrophobicContact CD1-CE2 3.99Å; L226-Y229 HydrophobicContact CB-CD2 4.16Å; L226-Y229 PolarHBondContact O-N 2.6Å; I227-Y229 PolarHBondContact O-N 2.93Å; I227-Y229 VanDerWaalsContact O-N 3.08Å; Y229-C234 HydrophobicContact CD1-CB 4.48Å; Y229-C234 WeakPolarHBondContact CD1-O 2.96Å; Y229-R235 VanDerWaalsContact O-CA 3.25Å; Y229-R235 WeakPolarHBondContact O-CA 3.4Å; Y229-N236 PolarHBondContact O-N 3.43Å; Y229-L238 HydrophobicContact CD1-CB 3.84Å; Y229-L238 HydrophobicContact CD1-CD1 4.39Å; Y229-L238 HydrophobicContact CD2-CB 4.32Å; Y229-L238 HydrophobicContact CD2-CD1 3.72Å; Y229-L238 HydrophobicContact CD2-CG 4.47Å; Y229-L238 HydrophobicContact CE1-CB 4.19Å; Y229-L238 HydrophobicContact CE1-CD1 4.17Å; Y229-L238 HydrophobicContact CE2-CD1 3.45Å; Y229-L238 VanDerWaalsContact CE2-CD1 3.45Å; Y229-L238 HydrophobicContact CG-CB 3.91Å; Y229-L238 HydrophobicContact CG-CD1 4.18Å |
| 230 | D | 84.3 | Confident | 81.8 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 32% | 0.316 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -91.7 | -22 | 178.9 | -69.6 | -25.9 | 0 | 0 | 0 | 113.5 | I227 H228 R235 R242 | I227-D230 WeakPolarHBondContact O-CB 3.05Å; I227-D230 PolarHBondContact O-N 3.32Å; H228-D230 VanDerWaalsContact C-N 3.33Å; H228-D230 PolarHBondContact O-N 3.43Å; D230-R235 WeakPolarHBondContact O-CD 3.48Å; D230-R235 PolarHBondContact O-NE 2.83Å; D230-R242 IonicContact OD1-CZ 3.44Å; D230-R242 IonicContact OD1-NH1 3.56Å; D230-R242 PolarHBondContact OD1-NH1 3.5Å; D230-R242 IonicContact OD2-CZ 3.19Å; D230-R242 IonicContact OD2-NH1 3.71Å; D230-R242 PolarHBondContact OD2-NH1 2.87Å; D230-R242 IonicContact OD2-NH2 3.55Å |
| 231 | K | 79.9 | Confident | 81 | Confident | 166 Ų | 166 | 75 Ų | 75 | 72% | 0.722 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -141.8 | 165.5 | -171.7 | -60.7 | -176.5 | -174.9 | 175.3 | 0 | 111.1 | ||
| 232 | G | 82.6 | Confident | 80.3 | Confident | 58 Ų | 58 | 75.8 Ų | 75.8 | 60% | 0.598 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | 68.3 | -160 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | C234 R235 | G232-C234 VanDerWaalsContact C-N 3.28Å; G232-C234 PolarHBondContact O-N 2.71Å; G232-R235 WeakPolarHBondContact O-CB 3.23Å; G232-R235 PolarHBondContact O-N 2.64Å |
| 233 | P | 83.4 | Confident | 79.5 | Confident | 113 Ų | 113 | 72.1 Ų | 72.1 | 73% | 0.734 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -71.8 | -18.4 | -169.4 | 27.9 | -34.8 | 0 | 0 | 0 | 114.4 | K237 | P233-K237 WeakPolarHBondContact O-CE 3.36Š|
| 234 | C | 86.4 | Confident | 78.8 | Confident | 3 Ų | 3 | 73.7 Ų | 73.7 | 2% | 0.02 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -95.6 | 4.9 | 179.6 | -61.6 | 0 | 0 | 0 | 0 | 113 | C216 H228 Y229 G232 N236 K237 | C216-C234 VanDerWaalsContact SG-SG 3.69Å; H228-C234 WeakPolarHBondContact NE2-CB 3.33Å; H228-C234 PolarHBondContact NE2-SG 3.48Å; Y229-C234 HydrophobicContact CD1-CB 4.48Å; Y229-C234 WeakPolarHBondContact CD1-O 2.96Å; G232-C234 VanDerWaalsContact C-N 3.28Å; G232-C234 PolarHBondContact O-N 2.71Å; C234-N236 PolarHBondContact O-N 3.12Å; C234-K237 WeakPolarHBondContact O-CB 3.2Å; C234-K237 PolarHBondContact O-N 3.05Å; C234-K237 VanDerWaalsContact O-N 3.09Å |
| 235 | R | 84.9 | Confident | 78.6 | Confident | 155 Ų | 155 | 69.6 Ų | 69.6 | 59% | 0.585 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 130.6 | -177.2 | -175.8 | 176.6 | 177.6 | -169.4 | -0.7 | 111.6 | Y229 D230 G232 K237 | Y229-R235 VanDerWaalsContact O-CA 3.25Å; Y229-R235 WeakPolarHBondContact O-CA 3.4Å; D230-R235 WeakPolarHBondContact O-CD 3.48Å; D230-R235 PolarHBondContact O-NE 2.83Å; G232-R235 WeakPolarHBondContact O-CB 3.23Å; G232-R235 PolarHBondContact O-N 2.64Å; R235-K237 PolarHBondContact O-N 2.89Å |
| 236 | N | 81.8 | Confident | 78.1 | Confident | 133 Ų | 133 | 68.7 Ų | 68.7 | 71% | 0.711 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 10.5 | -179.1 | -56.1 | -36.4 | 0 | 0 | 0 | 115.9 | Y229 C234 L238 | Y229-N236 PolarHBondContact O-N 3.43Å; C234-N236 PolarHBondContact O-N 3.12Å; N236-L238 PolarHBondContact O-N 3.26Å |
| 237 | K | 84.7 | Confident | 77.6 | Confident | 70 Ų | 70 | 76.8 Ų | 76.8 | 30% | 0.304 | 42% | 0.418 | S | S | . | . | trans | -88.8 | 8.9 | -179.2 | -60.3 | -167.3 | 176.3 | -176.5 | 0 | 114.7 | D180 A201 Y215 P233 C234 R235 G239 | D180-K237 IonicContact OD2-NZ 2.71Å; D180-K237 PolarHBondContact OD2-NZ 3.22Å; D180-K237 VanDerWaalsContact OD2-NZ 3.17Å; A201-K237 WeakPolarHBondContact CB-O 3.33Å; Y215-K237 HydrophobicContact CD1-CD 4.21Å; Y215-K237 HydrophobicContact CD2-CB 3.8Å; Y215-K237 HydrophobicContact CD2-CD 3.78Å; Y215-K237 HydrophobicContact CD2-CG 4.47Å; Y215-K237 HydrophobicContact CE1-CD 4.28Å; Y215-K237 HydrophobicContact CE2-CB 3.4Å; Y215-K237 VanDerWaalsContact CE2-CB 3.4Å; Y215-K237 HydrophobicContact CE2-CD 3.85Å; Y215-K237 HydrophobicContact CE2-CG 4.25Å; Y215-K237 WeakPolarHBondContact CE2-O 3.47Å; Y215-K237 HydrophobicContact CG-CD 3.95Å; P233-K237 WeakPolarHBondContact O-CE 3.36Å; C234-K237 WeakPolarHBondContact O-CB 3.2Å; C234-K237 PolarHBondContact O-N 3.05Å; C234-K237 VanDerWaalsContact O-N 3.09Å; R235-K237 PolarHBondContact O-N 2.89Å; K237-G239 VanDerWaalsContact C-N 3.28Å; K237-G239 PolarHBondContact O-N 3.25Å | ||
| 238 | L | 82.8 | Confident | 76.9 | Confident | 8 Ų | 8 | 78.4 Ų | 78.4 | 4% | 0.042 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -62.5 | -31.3 | -175 | -175.3 | 65.7 | 0 | 0 | 0 | 113.6 | C200 A201 Q202 L226 Y229 N236 H240 R242 | C200-L238 WeakPolarHBondContact CA-O 3.36Å; A201-L238 PolarHBondContact N-O 2.76Å; Q202-L238 HydrophobicContact CB-CD1 4.13Å; L226-L238 HydrophobicContact CD1-CD1 4.27Å; L226-L238 HydrophobicContact CD1-CD2 3.77Å; Y229-L238 HydrophobicContact CD1-CB 3.84Å; Y229-L238 HydrophobicContact CD1-CD1 4.39Å; Y229-L238 HydrophobicContact CD2-CB 4.32Å; Y229-L238 HydrophobicContact CD2-CD1 3.72Å; Y229-L238 HydrophobicContact CD2-CG 4.47Å; Y229-L238 HydrophobicContact CE1-CB 4.19Å; Y229-L238 HydrophobicContact CE1-CD1 4.17Å; Y229-L238 HydrophobicContact CE2-CD1 3.45Å; Y229-L238 VanDerWaalsContact CE2-CD1 3.45Å; Y229-L238 HydrophobicContact CG-CB 3.91Å; Y229-L238 HydrophobicContact CG-CD1 4.18Å; N236-L238 PolarHBondContact O-N 3.26Å; L238-H240 VanDerWaalsContact CG-CE1 3.42Å; L238-H240 WeakPolarHBondContact CG-CE1 3.48Å; L238-R242 HydrophobicContact CD2-CG 3.83Å |
| 239 | G | 77.3 | Confident | 76.4 | Confident | 57 Ų | 57 | 83.5 Ų | 83.5 | 59% | 0.588 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 89.9 | -9.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G199 K237 | G199-G239 CarbonylContact O-C 3.23Å; G199-G239 VanDerWaalsContact O-C 3.23Å; G199-G239 VanDerWaalsContact O-CA 3.3Å; G199-G239 WeakPolarHBondContact O-CA 3.31Å; K237-G239 VanDerWaalsContact C-N 3.28Å; K237-G239 PolarHBondContact O-N 3.25Å |
| 240 | H | 74.1 | Confident | 76 | Confident | 63 Ų | 63 | 87.1 Ų | 87.1 | 29% | 0.292 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -144.7 | 163.2 | 174.2 | 63.5 | -78.6 | 0 | 0 | 0 | 111.6 | C200 L238 R242 V245 | C200-H240 PolarHBondContact SG-CE1 3.47Å; L238-H240 VanDerWaalsContact CG-CE1 3.42Å; L238-H240 WeakPolarHBondContact CG-CE1 3.48Å; H240-R242 PolarHBondContact O-N 3.24Å; H240-V245 WeakPolarHBondContact NE2-CG2 3.43Å |
| 241 | S | 70.3 | Confident | 75.9 | Confident | 80 Ų | 80 | 88.7 Ų | 88.7 | 56% | 0.559 | 47% | 0.47 | S | S | * | . | trans | -74.6 | 125.4 | 179 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | A243 S244 | S241-A243 PolarHBondContact O-N 3.25Å; S241-A243 VanDerWaalsContact O-N 3.14Å; S241-A243 PolarHBondContact OG-N 3.41Å; S241-S244 WeakPolarHBondContact O-CB 2.92Å; S241-S244 PolarHBondContact O-N 3.31Å; S241-S244 PolarHBondContact O-OG 2.79Å | ||
| 242 | R | 66 | Low | 76.1 | Confident | 72 Ų | 72 | 83.2 Ų | 83.2 | 27% | 0.272 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -56.1 | -29.6 | 175.6 | -68.1 | 174.4 | 71.1 | -172.2 | 5.4 | 112.8 | L225 D230 L238 H240 S244 V245 I246 | L225-R242 PolarHBondContact O-NE 3.09Å; L225-R242 PolarHBondContact O-NH2 3.46Å; D230-R242 IonicContact OD1-CZ 3.44Å; D230-R242 IonicContact OD1-NH1 3.56Å; D230-R242 PolarHBondContact OD1-NH1 3.5Å; D230-R242 IonicContact OD2-CZ 3.19Å; D230-R242 IonicContact OD2-NH1 3.71Å; D230-R242 PolarHBondContact OD2-NH1 2.87Å; D230-R242 IonicContact OD2-NH2 3.55Å; L238-R242 HydrophobicContact CD2-CG 3.83Å; H240-R242 PolarHBondContact O-N 3.24Å; R242-S244 PolarHBondContact O-N 2.92Å; R242-V245 PolarHBondContact O-N 3.14Å; R242-I246 WeakPolarHBondContact O-CG1 3.39Å; R242-I246 PolarHBondContact O-N 3.38Å |
| 243 | A | 63.5 | Low | 76.2 | Confident | 62 Ų | 62 | 85.3 Ų | 85.3 | 51% | 0.512 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.7 | -35.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S241 W247 | S241-A243 PolarHBondContact O-N 3.25Å; S241-A243 VanDerWaalsContact O-N 3.14Å; S241-A243 PolarHBondContact OG-N 3.41Å; A243-W247 WeakPolarHBondContact O-CA 3.27Å; A243-W247 WeakPolarHBondContact O-CB 3.39Å; A243-W247 PolarHBondContact O-N 2.62Å |
| 244 | S | 65.6 | Low | 76.5 | Confident | 62 Ų | 62 | 82 Ų | 82 | 43% | 0.434 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 178.5 | 68.5 | 0 | 0 | 0 | 0 | 112.9 | S241 R242 H248 | S241-S244 WeakPolarHBondContact O-CB 2.92Å; S241-S244 PolarHBondContact O-N 3.31Å; S241-S244 PolarHBondContact O-OG 2.79Å; R242-S244 PolarHBondContact O-N 2.92Å; S244-H248 VanDerWaalsContact O-CB 3.27Å; S244-H248 WeakPolarHBondContact O-CB 3.18Å; S244-H248 PolarHBondContact O-N 3.06Å |
| 245 | V | 66.9 | Low | 76.6 | Confident | 48 Ų | 48 | 85.6 Ų | 85.6 | 29% | 0.291 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71.9 | -44.3 | 179.3 | -180 | 0 | 0 | 0 | 0 | 111.1 | H240 R242 H248 R249 | H240-V245 WeakPolarHBondContact NE2-CG2 3.43Å; R242-V245 PolarHBondContact O-N 3.14Å; V245-H248 PolarHBondContact O-N 2.98Å; V245-R249 WeakPolarHBondContact O-CB 3.45Å; V245-R249 WeakPolarHBondContact O-CG 3.44Å; V245-R249 PolarHBondContact O-N 3.47Å |
| 246 | I | 68.9 | Low | 76.9 | Confident | 93 Ų | 93 | 85.3 Ų | 85.3 | 48% | 0.477 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 176.9 | -64 | 171.9 | 0 | 0 | 0 | 109.9 | R242 R249 T250 | R242-I246 WeakPolarHBondContact O-CG1 3.39Å; R242-I246 PolarHBondContact O-N 3.38Å; I246-R249 PolarHBondContact O-N 3.28Å; I246-T250 HydrophobicContact CG2-CG2 4.36Å; I246-T250 WeakPolarHBondContact O-CG2 3.5Å; I246-T250 PolarHBondContact O-N 3.29Å; I246-T250 PolarHBondContact O-OG1 3.14Å |
| 247 | W | 69.4 | Low | 77.3 | Confident | 182 Ų | 182 | 82 Ų | 82 | 69% | 0.689 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.2 | -45.5 | 175.7 | -174.5 | -86.6 | 0 | 0 | 0 | 111.7 | A243 R249 T250 Q251 | A243-W247 WeakPolarHBondContact O-CA 3.27Å; A243-W247 WeakPolarHBondContact O-CB 3.39Å; A243-W247 PolarHBondContact O-N 2.62Å; W247-R249 PolarHBondContact O-N 3.42Å; W247-T250 WeakPolarHBondContact CA-OG1 3.47Å; W247-T250 PolarHBondContact O-N 2.83Å; W247-T250 PolarHBondContact O-OG1 2.98Å; W247-Q251 WeakPolarHBondContact O-CA 3.19Å; W247-Q251 WeakPolarHBondContact O-CB 3.41Å; W247-Q251 PolarHBondContact O-N 3.42Å |
| 248 | H | 69.3 | Low | 77.7 | Confident | 122 Ų | 122 | 80.5 Ų | 80.5 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.1 | -42.5 | 177.1 | -168.2 | -84.1 | 0 | 0 | 0 | 111.4 | S244 V245 V252 | S244-H248 VanDerWaalsContact O-CB 3.27Å; S244-H248 WeakPolarHBondContact O-CB 3.18Å; S244-H248 PolarHBondContact O-N 3.06Å; V245-H248 PolarHBondContact O-N 2.98Å; H248-V252 WeakPolarHBondContact O-CB 3.01Å; H248-V252 WeakPolarHBondContact O-CG2 3.48Å; H248-V252 PolarHBondContact O-N 2.98Å |
| 249 | R | 76.1 | Confident | 78.2 | Confident | 143 Ų | 143 | 86.3 Ų | 86.3 | 54% | 0.54 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 176.2 | -78.1 | 178 | 143.2 | 178.4 | -5.7 | 112.5 | F224 V245 I246 W247 V253 | F224-R249 PolarHBondContact O-NH1 2.81Å; V245-R249 WeakPolarHBondContact O-CB 3.45Å; V245-R249 WeakPolarHBondContact O-CG 3.44Å; V245-R249 PolarHBondContact O-N 3.47Å; I246-R249 PolarHBondContact O-N 3.28Å; W247-R249 PolarHBondContact O-N 3.42Å; R249-V253 WeakPolarHBondContact O-CG2 3.38Å; R249-V253 PolarHBondContact O-N 3.47Å |
| 250 | T | 78.3 | Confident | 78.9 | Confident | 81 Ų | 81 | 85.3 Ų | 85.3 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72.1 | -34.3 | 178.9 | 53 | 0 | 0 | 0 | 0 | 112.3 | I246 W247 V253 G254 | I246-T250 HydrophobicContact CG2-CG2 4.36Å; I246-T250 WeakPolarHBondContact O-CG2 3.5Å; I246-T250 PolarHBondContact O-N 3.29Å; I246-T250 PolarHBondContact O-OG1 3.14Å; W247-T250 WeakPolarHBondContact CA-OG1 3.47Å; W247-T250 PolarHBondContact O-N 2.83Å; W247-T250 PolarHBondContact O-OG1 2.98Å; T250-V253 PolarHBondContact O-N 3.46Å; T250-G254 PolarHBondContact O-N 2.77Å |
| 251 | Q | 81.1 | Confident | 79.8 | Confident | 92 Ų | 92 | 87.8 Ų | 87.8 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 174.5 | -179.4 | 176.7 | 11.4 | 0 | 0 | 110.9 | W247 G254 I255 | W247-Q251 WeakPolarHBondContact O-CA 3.19Å; W247-Q251 WeakPolarHBondContact O-CB 3.41Å; W247-Q251 PolarHBondContact O-N 3.42Å; Q251-G254 PolarHBondContact O-N 2.86Å; Q251-I255 HydrophobicContact CG-CD1 3.82Å; Q251-I255 HydrophobicContact CG-CG1 4.42Å; Q251-I255 WeakPolarHBondContact O-CB 3.34Å; Q251-I255 WeakPolarHBondContact O-CG1 3.13Å; Q251-I255 PolarHBondContact O-N 3.2Å |
| 252 | V | 84.4 | Confident | 81 | Confident | 51 Ų | 51 | 89.1 Ų | 89.1 | 31% | 0.309 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 177.9 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | H248 G254 I255 F256 | H248-V252 WeakPolarHBondContact O-CB 3.01Å; H248-V252 WeakPolarHBondContact O-CG2 3.48Å; H248-V252 PolarHBondContact O-N 2.98Å; V252-G254 VanDerWaalsContact C-N 3.33Å; V252-G254 PolarHBondContact O-N 3.01Å; V252-I255 PolarHBondContact O-N 2.91Å; V252-F256 HydrophobicContact CG1-CD2 3.67Å; V252-F256 HydrophobicContact CG1-CE2 3.44Å; V252-F256 VanDerWaalsContact CG1-CE2 3.44Å; V252-F256 WeakPolarHBondContact O-CD2 3.34Å; V252-F256 PolarHBondContact O-N 3.29Å |
| 253 | V | 85.5 | Confident | 82.2 | Confident | 102 Ų | 102 | 90.9 Ų | 90.9 | 62% | 0.618 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61 | -43 | 176 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | R249 T250 F256 A257 | R249-V253 WeakPolarHBondContact O-CG2 3.38Å; R249-V253 PolarHBondContact O-N 3.47Å; T250-V253 PolarHBondContact O-N 3.46Å; V253-F256 PolarHBondContact O-N 2.84Å; V253-A257 WeakPolarHBondContact O-CB 3.47Å; V253-A257 PolarHBondContact O-N 3.38Å |
| 254 | G | 88.4 | Confident | 83.6 | Confident | 42 Ų | 42 | 94 Ų | 94 | 43% | 0.433 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T250 Q251 V252 G258 | T250-G254 PolarHBondContact O-N 2.77Å; Q251-G254 PolarHBondContact O-N 2.86Å; V252-G254 VanDerWaalsContact C-N 3.33Å; V252-G254 PolarHBondContact O-N 3.01Å; G254-G258 PolarHBondContact O-N 3.44Å |
| 255 | I | 90.1 | Very high | 85 | Confident | 80 Ų | 80 | 95.2 Ų | 95.2 | 41% | 0.41 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -50.3 | 174.6 | -73.2 | 167 | 0 | 0 | 0 | 109.8 | Q251 V252 A257 G258 F259 | Q251-I255 HydrophobicContact CG-CD1 3.82Å; Q251-I255 HydrophobicContact CG-CG1 4.42Å; Q251-I255 WeakPolarHBondContact O-CB 3.34Å; Q251-I255 WeakPolarHBondContact O-CG1 3.13Å; Q251-I255 PolarHBondContact O-N 3.2Å; V252-I255 PolarHBondContact O-N 2.91Å; I255-A257 PolarHBondContact O-N 2.85Å; I255-G258 PolarHBondContact O-N 3.27Å; I255-F259 HydrophobicContact CG2-CD2 3.57Å; I255-F259 HydrophobicContact CG2-CE2 3.68Å; I255-F259 VanDerWaalsContact O-CD2 3.3Å; I255-F259 WeakPolarHBondContact O-CD2 3.32Å; I255-F259 PolarHBondContact O-N 3.49Å |
| 256 | F | 90 | Very high | 86.2 | Confident | 149 Ų | 149 | 94.3 Ų | 94.3 | 65% | 0.654 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | 179.7 | -76.9 | -63.2 | 0 | 0 | 0 | 112.7 | V252 V253 G258 G260 | V252-F256 HydrophobicContact CG1-CD2 3.67Å; V252-F256 HydrophobicContact CG1-CE2 3.44Å; V252-F256 VanDerWaalsContact CG1-CE2 3.44Å; V252-F256 WeakPolarHBondContact O-CD2 3.34Å; V252-F256 PolarHBondContact O-N 3.29Å; V253-F256 PolarHBondContact O-N 2.84Å; F256-G258 VanDerWaalsContact C-N 3.35Å; F256-G260 PolarHBondContact O-N 2.93Å |
| 257 | A | 90 | Very high | 87.3 | Confident | 62 Ų | 62 | 92.5 Ų | 92.5 | 51% | 0.512 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V253 I255 G260 L261 | V253-A257 WeakPolarHBondContact O-CB 3.47Å; V253-A257 PolarHBondContact O-N 3.38Å; I255-A257 PolarHBondContact O-N 2.85Å; A257-G260 PolarHBondContact O-N 3.35Å; A257-L261 WeakPolarHBondContact O-CB 3.3Å; A257-L261 PolarHBondContact O-N 3.49Å |
| 258 | G | 93.5 | Very high | 88.3 | Confident | 39 Ų | 39 | 87 Ų | 87 | 40% | 0.402 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.6 | -47 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G254 I255 F256 G260 L261 L262 | G254-G258 PolarHBondContact O-N 3.44Å; I255-G258 PolarHBondContact O-N 3.27Å; F256-G258 VanDerWaalsContact C-N 3.35Å; G258-G260 VanDerWaalsContact C-N 3.34Å; G258-G260 PolarHBondContact O-N 2.93Å; G258-L261 PolarHBondContact O-N 3.47Å; G258-L262 WeakPolarHBondContact O-CB 3.36Å; G258-L262 PolarHBondContact O-N 3.48Å |
| 259 | F | 92.4 | Very high | 89.3 | Confident | 131 Ų | 131 | 88.1 Ų | 88.1 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.8 | -41.7 | 173.7 | -88 | -72 | 0 | 0 | 0 | 111.9 | I255 L262 L263 | I255-F259 HydrophobicContact CG2-CD2 3.57Å; I255-F259 HydrophobicContact CG2-CE2 3.68Å; I255-F259 VanDerWaalsContact O-CD2 3.3Å; I255-F259 WeakPolarHBondContact O-CD2 3.32Å; I255-F259 PolarHBondContact O-N 3.49Å; F259-L262 PolarHBondContact O-N 3.39Å; F259-L263 WeakPolarHBondContact O-CB 3.17Å; F259-L263 WeakPolarHBondContact O-CG 3.34Å; F259-L263 PolarHBondContact O-N 2.92Å |
| 260 | G | 92.4 | Very high | 89.8 | Confident | 35 Ų | 35 | 86.5 Ų | 86.5 | 36% | 0.361 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F256 A257 G258 L263 L264 | F256-G260 PolarHBondContact O-N 2.93Å; A257-G260 PolarHBondContact O-N 3.35Å; G258-G260 VanDerWaalsContact C-N 3.34Å; G258-G260 PolarHBondContact O-N 2.93Å; G260-L263 PolarHBondContact O-N 2.82Å; G260-L264 PolarHBondContact O-N 3.25Å |
| 261 | L | 94.3 | Very high | 90.3 | Very high | 116 Ų | 116 | 88.3 Ų | 88.3 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.3 | -43.7 | 176.5 | -173.8 | 72.6 | 0 | 0 | 0 | 111.7 | A257 G258 L263 L264 V265 | A257-L261 WeakPolarHBondContact O-CB 3.3Å; A257-L261 PolarHBondContact O-N 3.49Å; G258-L261 PolarHBondContact O-N 3.47Å; L261-L263 PolarHBondContact O-N 2.9Å; L261-L264 WeakPolarHBondContact O-CB 3.46Å; L261-L264 PolarHBondContact O-N 3.38Å; L261-V265 WeakPolarHBondContact O-CG2 3.47Å; L261-V265 PolarHBondContact O-N 3.27Å |
| 262 | L | 94.2 | Very high | 90.6 | Very high | 107 Ų | 107 | 89.9 Ų | 89.9 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -43 | 179.5 | -172.1 | 148.9 | 0 | 0 | 0 | 111.3 | G258 F259 V265 A266 | G258-L262 WeakPolarHBondContact O-CB 3.36Å; G258-L262 PolarHBondContact O-N 3.48Å; F259-L262 PolarHBondContact O-N 3.39Å; L262-V265 PolarHBondContact O-N 3.48Å; L262-A266 WeakPolarHBondContact O-CB 3.18Å; L262-A266 PolarHBondContact O-N 3.35Å |
| 263 | L | 91.4 | Very high | 90.5 | Very high | 109 Ų | 109 | 89.5 Ų | 89.5 | 57% | 0.571 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.2 | -40.3 | 175.3 | -72.7 | 173.2 | 0 | 0 | 0 | 112.1 | F259 G260 L261 V265 A266 S267 | F259-L263 WeakPolarHBondContact O-CB 3.17Å; F259-L263 WeakPolarHBondContact O-CG 3.34Å; F259-L263 PolarHBondContact O-N 2.92Å; G260-L263 PolarHBondContact O-N 2.82Å; L261-L263 PolarHBondContact O-N 2.9Å; L263-V265 PolarHBondContact O-N 2.96Å; L263-A266 PolarHBondContact O-N 3.36Å; L263-S267 WeakPolarHBondContact O-CB 3.49Å; L263-S267 PolarHBondContact O-N 2.9Å |
| 264 | L | 94.1 | Very high | 90.3 | Very high | 129 Ų | 129 | 87.8 Ų | 87.8 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.3 | -44.3 | 174.7 | -94.7 | 166.9 | 0 | 0 | 0 | 112.1 | G260 L261 P268 | G260-L264 PolarHBondContact O-N 3.25Å; L261-L264 WeakPolarHBondContact O-CB 3.46Å; L261-L264 PolarHBondContact O-N 3.38Å; L264-P268 VanDerWaalsContact O-CD 3.23Å; L264-P268 WeakPolarHBondContact O-CD 3.15Å |
| 265 | V | 94.6 | Very high | 90 | Very high | 87 Ų | 87 | 89.3 Ų | 89.3 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -73.8 | -38 | 179.9 | 175.5 | 0 | 0 | 0 | 0 | 111.7 | L261 L262 L263 P268 F269 | L261-V265 WeakPolarHBondContact O-CG2 3.47Å; L261-V265 PolarHBondContact O-N 3.27Å; L262-V265 PolarHBondContact O-N 3.48Å; L263-V265 PolarHBondContact O-N 2.96Å; V265-P268 WeakPolarHBondContact O-CD 3.37Å; V265-F269 HydrophobicContact CG1-CE2 4.46Å; V265-F269 WeakPolarHBondContact O-CD2 3.39Å; V265-F269 WeakPolarHBondContact O-CE2 3.45Å |
| 266 | A | 90.8 | Very high | 89.5 | Confident | 28 Ų | 28 | 93.1 Ų | 93.1 | 23% | 0.231 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -74.3 | -28 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L262 L263 F269 L270 | L262-A266 WeakPolarHBondContact O-CB 3.18Å; L262-A266 PolarHBondContact O-N 3.35Å; L263-A266 PolarHBondContact O-N 3.36Å; A266-F269 PolarHBondContact O-N 2.67Å; A266-L270 HydrophobicContact CB-CD1 4.31Å; A266-L270 WeakPolarHBondContact O-CG 3.38Å; A266-L270 PolarHBondContact O-N 3.27Å |
| 267 | S | 92.3 | Very high | 88.9 | Confident | 55 Ų | 55 | 90.3 Ų | 90.3 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -53.1 | -48.9 | -176.2 | 172.2 | 0 | 0 | 0 | 0 | 113.8 | L263 F269 L270 L271 | L263-S267 WeakPolarHBondContact O-CB 3.49Å; L263-S267 PolarHBondContact O-N 2.9Å; S267-F269 VanDerWaalsContact C-N 3.35Å; S267-F269 PolarHBondContact O-N 3.49Å; S267-L270 PolarHBondContact O-N 3.14Å; S267-L271 VanDerWaalsContact O-CG 3.32Å; S267-L271 WeakPolarHBondContact O-CG 3.27Å; S267-L271 PolarHBondContact O-N 3.07Å |
| 268 | P | 92.1 | Very high | 88.2 | Confident | 68 Ų | 68 | 92.3 Ų | 92.3 | 44% | 0.442 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.2 | -41.5 | 173.9 | -25.9 | 32.8 | 0 | 0 | 0 | 114.3 | L264 V265 L271 L272 | L264-P268 VanDerWaalsContact O-CD 3.23Å; L264-P268 WeakPolarHBondContact O-CD 3.15Å; V265-P268 WeakPolarHBondContact O-CD 3.37Å; P268-L271 PolarHBondContact O-N 3.34Å; P268-L272 VanDerWaalsContact O-CG 3.3Å; P268-L272 WeakPolarHBondContact O-CG 3.48Å; P268-L272 PolarHBondContact O-N 2.97Å |
| 269 | F | 90.3 | Very high | 87.2 | Confident | 145 Ų | 145 | 94.5 Ų | 94.5 | 64% | 0.636 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.2 | -38.5 | -180 | -62.5 | -80.2 | 0 | 0 | 0 | 111.8 | V265 A266 S267 L272 A273 | V265-F269 HydrophobicContact CG1-CE2 4.46Å; V265-F269 WeakPolarHBondContact O-CD2 3.39Å; V265-F269 WeakPolarHBondContact O-CE2 3.45Å; A266-F269 PolarHBondContact O-N 2.67Å; S267-F269 VanDerWaalsContact C-N 3.35Å; S267-F269 PolarHBondContact O-N 3.49Å; F269-L272 PolarHBondContact O-N 3.04Å; F269-A273 WeakPolarHBondContact O-CB 3.34Å; F269-A273 PolarHBondContact O-N 3.3Å |
| 270 | L | 85.6 | Confident | 86 | Confident | 108 Ų | 108 | 92.1 Ų | 92.1 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -42.8 | 175 | -68.5 | 174.9 | 0 | 0 | 0 | 110.9 | A266 S267 L272 A273 T274 | A266-L270 HydrophobicContact CB-CD1 4.31Å; A266-L270 WeakPolarHBondContact O-CG 3.38Å; A266-L270 PolarHBondContact O-N 3.27Å; S267-L270 PolarHBondContact O-N 3.14Å; L270-L272 VanDerWaalsContact C-N 3.34Å; L270-L272 PolarHBondContact O-N 3.34Å; L270-A273 PolarHBondContact O-N 2.99Å; L270-T274 PolarHBondContact O-N 3.47Å; L270-T274 PolarHBondContact O-OG1 2.91Å |
| 271 | L | 88 | Confident | 84.7 | Confident | 120 Ų | 120 | 97.9 Ų | 97.9 | 63% | 0.628 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.8 | -39.1 | 175.7 | -70.9 | 173.1 | 0 | 0 | 0 | 112.4 | S267 P268 P275 | S267-L271 VanDerWaalsContact O-CG 3.32Å; S267-L271 WeakPolarHBondContact O-CG 3.27Å; S267-L271 PolarHBondContact O-N 3.07Å; P268-L271 PolarHBondContact O-N 3.34Å; L271-P275 VanDerWaalsContact O-CD 3.24Å; L271-P275 WeakPolarHBondContact O-CD 3.44Å |
| 272 | L | 87.6 | Confident | 82.9 | Confident | 124 Ų | 124 | 96.4 Ų | 96.4 | 65% | 0.649 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.5 | -34.1 | 175.8 | -71.3 | 171.9 | 0 | 0 | 0 | 113.1 | P268 F269 L270 P275 | P268-L272 VanDerWaalsContact O-CG 3.3Å; P268-L272 WeakPolarHBondContact O-CG 3.48Å; P268-L272 PolarHBondContact O-N 2.97Å; F269-L272 PolarHBondContact O-N 3.04Å; L270-L272 VanDerWaalsContact C-N 3.34Å; L270-L272 PolarHBondContact O-N 3.34Å; L272-P275 WeakPolarHBondContact O-CD 3.24Å; L272-P275 WeakPolarHBondContact O-CG 3.41Å |
| 273 | A | 82.3 | Confident | 81.1 | Confident | 43 Ų | 43 | 99.3 Ų | 99.3 | 36% | 0.355 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -76.4 | -24.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F269 L270 F276 V277 | F269-A273 WeakPolarHBondContact O-CB 3.34Å; F269-A273 PolarHBondContact O-N 3.3Å; L270-A273 PolarHBondContact O-N 2.99Å; A273-F276 PolarHBondContact O-N 2.95Å; A273-F276 VanDerWaalsContact O-N 3.12Å; A273-V277 WeakPolarHBondContact O-CG2 3.37Å; A273-V277 PolarHBondContact O-N 2.97Å |
| 274 | T | 82.9 | Confident | 79.3 | Confident | 66 Ų | 66 | 99.1 Ų | 99.1 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -53.5 | -49.6 | -177.9 | -60.2 | 0 | 0 | 0 | 0 | 113.8 | L270 F276 V277 L278 | L270-T274 PolarHBondContact O-N 3.47Å; L270-T274 PolarHBondContact O-OG1 2.91Å; T274-F276 VanDerWaalsContact C-N 3.34Å; T274-F276 PolarHBondContact O-N 3.31Å; T274-V277 PolarHBondContact O-N 3.41Å; T274-L278 HydrophobicContact CG2-CD1 3.79Å; T274-L278 HydrophobicContact CG2-CG 4.36Å; T274-L278 WeakPolarHBondContact O-CB 3.2Å; T274-L278 VanDerWaalsContact O-CG 3.27Å; T274-L278 WeakPolarHBondContact O-CG 3.45Å; T274-L278 PolarHBondContact O-N 2.93Å |
| 275 | P | 81.3 | Confident | 77.3 | Confident | 75 Ų | 75 | 101.6 Ų | 101.6 | 49% | 0.487 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.7 | -33.9 | 176.9 | 22.2 | -32.4 | 0 | 0 | 0 | 113.3 | L271 L272 C279 | L271-P275 VanDerWaalsContact O-CD 3.24Å; L271-P275 WeakPolarHBondContact O-CD 3.44Å; L272-P275 WeakPolarHBondContact O-CD 3.24Å; L272-P275 WeakPolarHBondContact O-CG 3.41Å; P275-C279 WeakPolarHBondContact O-CB 3.32Å; P275-C279 PolarHBondContact O-N 3.41Å |
| 276 | F | 79.3 | Confident | 75.2 | Confident | 159 Ų | 159 | 108.1 Ų | 108.1 | 70% | 0.697 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69 | -44.6 | 176.4 | -80 | -87.7 | 0 | 0 | 0 | 112 | A273 T274 C279 C280 | A273-F276 PolarHBondContact O-N 2.95Å; A273-F276 VanDerWaalsContact O-N 3.12Å; T274-F276 VanDerWaalsContact C-N 3.34Å; T274-F276 PolarHBondContact O-N 3.31Å; F276-C279 PolarHBondContact O-N 3.12Å; F276-C280 WeakPolarHBondContact O-CB 3.3Å; F276-C280 PolarHBondContact O-N 2.96Å; F276-C280 PolarHBondContact O-SG 3.3Å |
| 277 | V | 77.8 | Confident | 73.3 | Confident | 90 Ų | 90 | 109.7 Ų | 109.7 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.9 | -41.7 | 178.4 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | A273 T274 C280 K281 | A273-V277 WeakPolarHBondContact O-CG2 3.37Å; A273-V277 PolarHBondContact O-N 2.97Å; T274-V277 PolarHBondContact O-N 3.41Å; V277-C280 PolarHBondContact O-N 3.28Å; V277-K281 PolarHBondContact O-N 2.89Å; V277-K281 VanDerWaalsContact O-N 3.07Å |
| 278 | L | 75.8 | Confident | 71.4 | Confident | 105 Ų | 105 | 114.2 Ų | 114.2 | 55% | 0.55 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.5 | -40.5 | 174.4 | -70.9 | 172.7 | 0 | 0 | 0 | 111.7 | T274 K281 C282 | T274-L278 HydrophobicContact CG2-CD1 3.79Å; T274-L278 HydrophobicContact CG2-CG 4.36Å; T274-L278 WeakPolarHBondContact O-CB 3.2Å; T274-L278 VanDerWaalsContact O-CG 3.27Å; T274-L278 WeakPolarHBondContact O-CG 3.45Å; T274-L278 PolarHBondContact O-N 2.93Å; L278-K281 PolarHBondContact O-N 3.35Å; L278-C282 PolarHBondContact O-N 3.07Å; L278-C282 PolarHBondContact O-SG 3.46Å |
| 279 | C | 71.2 | Confident | 69.6 | Low | 84 Ų | 84 | 117.8 Ų | 117.8 | 57% | 0.568 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.7 | -38.8 | 177.9 | -156.9 | 0 | 0 | 0 | 0 | 112.2 | P275 F276 C282 K283 | P275-C279 WeakPolarHBondContact O-CB 3.32Å; P275-C279 PolarHBondContact O-N 3.41Å; F276-C279 PolarHBondContact O-N 3.12Å; C279-C282 PolarHBondContact O-N 3.47Å; C279-K283 WeakPolarHBondContact O-CB 3.23Å; C279-K283 PolarHBondContact O-N 3.06Å |
| 280 | C | 67.7 | Low | 68.1 | Low | 81 Ų | 81 | 118.2 Ų | 118.2 | 55% | 0.547 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63 | -40.1 | 173.2 | -70.5 | 0 | 0 | 0 | 0 | 112.4 | F276 V277 K283 C284 | F276-C280 WeakPolarHBondContact O-CB 3.3Å; F276-C280 PolarHBondContact O-N 2.96Å; F276-C280 PolarHBondContact O-SG 3.3Å; V277-C280 PolarHBondContact O-N 3.28Å; C280-K283 PolarHBondContact O-N 2.91Å; C280-C284 PolarHBondContact O-N 3.48Å; C280-C284 VanDerWaalsContact O-N 3.14Å |
| 281 | K | 64.9 | Low | 66.7 | Low | 157 Ų | 157 | 118.8 Ų | 118.8 | 68% | 0.683 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.7 | -35 | 174.2 | -93.6 | -169.4 | 164.9 | 166.7 | 0 | 113.4 | V277 L278 K283 K285 | V277-K281 PolarHBondContact O-N 2.89Å; V277-K281 VanDerWaalsContact O-N 3.07Å; L278-K281 PolarHBondContact O-N 3.35Å; K281-K283 VanDerWaalsContact C-N 3.35Å; K281-K285 PolarHBondContact O-N 2.94Å |
| 282 | C | 57.7 | Low | 64.9 | Low | 85 Ų | 85 | 120.7 Ų | 120.7 | 57% | 0.574 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.4 | -30.3 | 174.2 | -68.9 | 0 | 0 | 0 | 0 | 112.7 | L278 C279 | L278-C282 PolarHBondContact O-N 3.07Å; L278-C282 PolarHBondContact O-SG 3.46Å; C279-C282 PolarHBondContact O-N 3.47Å |
| 283 | K | 55.2 | Low | 63.5 | Low | 168 Ų | 168 | 120.6 Ų | 120.6 | 73% | 0.73 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -76 | -36.1 | 178.3 | -141.1 | 169.5 | -177.5 | 173.2 | 0 | 112.6 | C279 C280 K281 K285 R286 | C279-K283 WeakPolarHBondContact O-CB 3.23Å; C279-K283 PolarHBondContact O-N 3.06Å; C280-K283 PolarHBondContact O-N 2.91Å; K281-K283 VanDerWaalsContact C-N 3.35Å; K283-K285 VanDerWaalsContact C-N 3.26Å; K283-K285 PolarHBondContact O-N 3.36Å; K283-R286 PolarHBondContact O-N 3.24Å |
| 284 | C | 53.3 | Low | 62 | Low | 105 Ų | 105 | 128.8 Ų | 128.8 | 71% | 0.709 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -66.1 | -24.8 | 172.1 | -71.6 | 0 | 0 | 0 | 0 | 113.6 | C280 | C280-C284 PolarHBondContact O-N 3.48Å; C280-C284 VanDerWaalsContact O-N 3.14Å |
| 285 | K | 52.6 | Low | 60.9 | Low | 181 Ų | 181 | 131.9 Ų | 131.9 | 79% | 0.787 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -13.3 | 175.4 | -82 | -168.9 | 172.7 | -170.8 | 0 | 114.6 | K281 K283 | K281-K285 PolarHBondContact O-N 2.94Å; K283-K285 VanDerWaalsContact C-N 3.26Å; K283-K285 PolarHBondContact O-N 3.36Å |
| 286 | R | 50.3 | Low | 59.9 | Low | 224 Ų | 224 | 134.9 Ų | 134.9 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 2.9 | -174.9 | -108.5 | -179.7 | -179.8 | 174.6 | 0 | 114.2 | K283 | K283-R286 PolarHBondContact O-N 3.24Š|
| 287 | G | 50.4 | Low | 58.8 | Low | 60 Ų | 60 | 133.6 Ų | 133.6 | 62% | 0.619 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -98.2 | -3.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 288 | D | 53.8 | Low | 57.7 | Low | 151 Ų | 151 | 136.1 Ų | 136.1 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -107 | 7.6 | -175 | -82.3 | -26.1 | 0 | 0 | 0 | 114.3 | ||
| 289 | D | 54.5 | Low | 56.5 | Low | 142 Ų | 142 | 138.1 Ų | 138.1 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -101.1 | 68.9 | 175.8 | -66.2 | -52 | 0 | 0 | 0 | 111.1 | ||||
| 290 | D | 57.1 | Low | 55.5 | Low | 155 Ų | 155 | 141.7 Ų | 141.7 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 122.1 | 162.5 | -100.4 | -35.3 | 0 | 0 | 0 | 109.3 | ||
| 291 | P | 57.7 | Low | 54.7 | Low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 128.1 | 174.9 | 28.8 | -29.8 | 0 | 0 | 0 | 111.2 | ||
| 292 | L | 49.8 | Very low | 53.9 | Low | 160 Ų | 160 | 145.2 Ų | 145.2 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 143.8 | 172.2 | -120.5 | 92.2 | 0 | 0 | 0 | 111.8 | ||
| 293 | P | 57.5 | Low | 53.6 | Low | 122 Ų | 122 | 150.2 Ų | 150.2 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81 | 130.9 | 174.9 | 32.4 | -29.5 | 0 | 0 | 0 | 110.8 | ||
| 294 | T | 50.8 | Low | 53.4 | Low | 214 Ų | 214 | 148.5 Ų | 148.5 | 100% | 1.313 | 83% | 0.825 | S | S | * | * | trans | -128.2 | 0 | 156.1 | 44.5 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 294 of 294 residues in 165.6 ms
(Link to these results)