| 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 | 39.3 | Very low | 46.3 | Very low | 251 Ų | 251 | 153.4 Ų | 153.4 | 100% | 1.236 | 85% | 0.853 | S | S | * | * | 0 | 129.7 | 0 | -74.1 | 166.5 | 169.6 | 0 | 0 | 108.2 | |||||
| 2 | R | 42.4 | Very low | 46.2 | Very low | 239 Ų | 239 | 144.2 Ų | 144.2 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -66.9 | 172.2 | 168.5 | -84.5 | -177.8 | 174.3 | -167.7 | -0.8 | 110.7 | ||||
| 3 | P | 46.1 | Very low | 46.4 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | cis | -122.6 | 161.8 | 5.5 | 21.6 | 3.2 | 0 | 0 | 0 | 112.7 | ||||
| 4 | A | 42 | Very low | 46.2 | Very low | 86 Ų | 86 | 140.6 Ų | 140.6 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | 73.3 | 118.5 | 54 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 5 | A | 45.7 | Very low | 46 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | 64.4 | 143.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 6 | L | 45.4 | Very low | 45.8 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | cis | -157.3 | 131.2 | 47.8 | -162.2 | 72 | 0 | 0 | 0 | 110.1 | ||||
| 7 | R | 50 | Low | 45.9 | Very low | 245 Ų | 245 | 138.5 Ų | 138.5 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -68 | 143.5 | 164.2 | -73.6 | 175 | 166.7 | -170.4 | -4.3 | 109.4 | ||||
| 8 | G | 50.9 | Low | 46 | Very low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 96.8 | 147.3 | 151.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 9 | A | 51.9 | Low | 46 | Very low | 90 Ų | 90 | 138.1 Ų | 138.1 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | 85 | 56.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 10 | L | 48.8 | Very low | 46.1 | Very low | 158 Ų | 158 | 136.1 Ų | 136.1 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -132.5 | -2.3 | 155.7 | -85.2 | 169.5 | 0 | 0 | 0 | 115.7 | ||
| 11 | L | 46.7 | Very low | 46.2 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -97.8 | 0.2 | 172.4 | -88.5 | 144.9 | 0 | 0 | 0 | 114 | ||
| 12 | G | 45.3 | Very low | 46.6 | Very low | 43 Ų | 43 | 128.3 Ų | 128.3 | 44% | 0.443 | 74% | 0.742 | S | S | . | * | S | Bend | trans | -91.9 | -15.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 13 | C | 48.5 | Very low | 46.9 | Very low | 99 Ų | 99 | 120.2 Ų | 120.2 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -13.1 | -173 | -68.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 14 | L | 43.2 | Very low | 47.1 | Very low | 139 Ų | 139 | 118 Ų | 118 | 73% | 0.728 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -16.9 | 177.7 | -99.3 | 134.3 | 0 | 0 | 0 | 114 | ||
| 15 | Y | 44 | Very low | 47.3 | Very low | 193 Ų | 193 | 121.7 Ų | 121.7 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -20.5 | 173.2 | -94.7 | -86.3 | 0 | 0 | 0 | 113.8 | ||
| 16 | L | 43.3 | Very low | 47 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -84.1 | -13.6 | 176.7 | -96.3 | 135.9 | 0 | 0 | 0 | 113.9 | ||
| 17 | A | 47.6 | Very low | 46.9 | Very low | 65 Ų | 65 | 129.5 Ų | 129.5 | 54% | 0.537 | 74% | 0.735 | S | S | . | * | S | Bend | trans | -84.9 | -21.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 18 | L | 46.8 | Very low | 46.7 | Very low | 129 Ų | 129 | 125 Ų | 125 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -92.5 | -10.4 | 179.4 | -89.2 | 150.1 | 0 | 0 | 0 | 114.1 | ||
| 19 | L | 46.2 | Very low | 46.4 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -87.8 | -6 | 171.5 | -81.2 | 158.8 | 0 | 0 | 0 | 113.6 | ||
| 20 | C | 47.6 | Very low | 46.6 | Very low | 97 Ų | 97 | 133 Ų | 133 | 66% | 0.655 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -93.5 | -0.8 | 176.3 | -68.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 21 | L | 48.3 | Very low | 47.5 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -95.1 | -4.7 | 176.2 | -73.9 | 167.3 | 0 | 0 | 0 | 113.9 | ||
| 22 | G | 48.4 | Very low | 49.2 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -100.1 | 2.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 23 | G | 48.9 | Very low | 51.4 | Low | 68 Ų | 68 | 128.1 Ų | 128.1 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -118.1 | 6.9 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 24 | A | 49.8 | Very low | 53.6 | Low | 72 Ų | 72 | 123.6 Ų | 123.6 | 60% | 0.595 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -119.7 | 12 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 25 | D | 46.8 | Very low | 56.1 | Low | 163 Ų | 163 | 123.2 Ų | 123.2 | 87% | 0.872 | 65% | 0.647 | S | S | * | * | trans | -105.1 | 28.6 | 175 | -148.7 | 19.5 | 0 | 0 | 0 | 113.1 | ||||
| 26 | K | 38 | Very low | 58.6 | Low | 205 Ų | 205 | 114.7 Ų | 114.7 | 89% | 0.891 | 61% | 0.614 | S | S | * | * | trans | -111.8 | 30.8 | 165.8 | -76.7 | -173.9 | 177.4 | -179.8 | 0 | 111.4 | L28 | K26-L28 PolarHBondContact O-N 3.48Å; K26-L28 VanDerWaalsContact O-N 3.16Å | ||
| 27 | R | 42.9 | Very low | 61.2 | Low | 221 Ų | 221 | 108.6 Ų | 108.6 | 83% | 0.834 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -74.4 | 101.7 | 165.5 | -77.4 | -174.8 | -179.3 | -172.8 | 1.4 | 108.1 | R29 | R27-R29 PolarHBondContact O-N 3.03Š|
| 28 | L | 46.5 | Very low | 63.6 | Low | 150 Ų | 150 | 106.6 Ų | 106.6 | 79% | 0.785 | 56% | 0.562 | S | S | * | * | trans | 47 | 68.1 | 159.5 | -68 | 156.9 | 0 | 0 | 0 | 114.7 | K26 D30 | K26-L28 PolarHBondContact O-N 3.48Å; K26-L28 VanDerWaalsContact O-N 3.16Å; L28-D30 PolarHBondContact O-N 3.19Å | ||
| 29 | R | 45.6 | Very low | 66.1 | Low | 223 Ų | 223 | 100.4 Ų | 100.4 | 84% | 0.842 | 53% | 0.53 | S | S | * | . | trans | -75.9 | 77.1 | 152.7 | -160.2 | 174.1 | 167.5 | -167.2 | -5.9 | 106.2 | R27 N31 | R27-R29 PolarHBondContact O-N 3.03Å; R29-N31 PolarHBondContact O-N 3.09Å | ||
| 30 | D | 56.1 | Low | 68.6 | Low | 106 Ų | 106 | 93.8 Ų | 93.8 | 57% | 0.567 | 50% | 0.495 | S | S | * | . | trans | -57.4 | 109.5 | 167.6 | -116.6 | -14.5 | 0 | 0 | 0 | 105.4 | L28 H32 | L28-D30 PolarHBondContact O-N 3.19Å; D30-H32 WeakPolarHBondContact CB-NE2 3.19Å; D30-H32 PolarHBondContact O-CD2 3.13Å; D30-H32 PolarHBondContact O-N 3.41Å; D30-H32 IonicContact OD2-CE1 3.41Å; D30-H32 IonicContact OD2-NE2 2.74Å | ||
| 31 | N | 66.9 | Low | 71.1 | Confident | 107 Ų | 107 | 89.1 Ų | 89.1 | 57% | 0.572 | 46% | 0.464 | S | S | * | . | trans | -79 | 80.6 | -175.7 | -156.8 | 33.9 | 0 | 0 | 0 | 107 | R29 E33 | R29-N31 PolarHBondContact O-N 3.09Å; N31-E33 VanDerWaalsContact ND2-CG 3.3Å; N31-E33 WeakPolarHBondContact ND2-CG 3.42Å; N31-E33 PolarHBondContact O-N 3.37Å; N31-E33 WeakPolarHBondContact OD1-CG 3.28Å | ||
| 32 | H | 82.6 | Confident | 73.4 | Confident | 47 Ų | 47 | 82.1 Ų | 82.1 | 22% | 0.218 | 43% | 0.427 | C | S | . | . | trans | -72.1 | 55.8 | 177.4 | -64.8 | -60.6 | 0 | 0 | 0 | 111 | D30 C75 Q124 | D30-H32 WeakPolarHBondContact CB-NE2 3.19Å; D30-H32 PolarHBondContact O-CD2 3.13Å; D30-H32 PolarHBondContact O-N 3.41Å; D30-H32 IonicContact OD2-CE1 3.41Å; D30-H32 IonicContact OD2-NE2 2.74Å; H32-C75 HydrophobicContact CB-CB 4.26Å; H32-C75 WeakPolarHBondContact CB-SG 3.35Å; H32-C75 PolarHBondContact ND1-SG 2.86Å; H32-C75 WeakPolarHBondContact NE2-CA 3.32Å; H32-C75 PolarHBondContact NE2-O 3.15Å; H32-Q124 PolarHBondContact O-NE2 3.39Å; H32-Q124 PolarHBondContact O-OE1 3.21Å | ||
| 33 | E | 91.1 | Very high | 75.8 | Confident | 113 Ų | 113 | 78.5 Ų | 78.5 | 53% | 0.528 | 39% | 0.389 | S | S | . | . | trans | -79.5 | 127.3 | 179.2 | -73 | -67 | 156.4 | 0 | 0 | 110.3 | N31 | N31-E33 VanDerWaalsContact ND2-CG 3.3Å; N31-E33 WeakPolarHBondContact ND2-CG 3.42Å; N31-E33 PolarHBondContact O-N 3.37Å; N31-E33 WeakPolarHBondContact OD1-CG 3.28Å | ||
| 34 | W | 95 | Very high | 78 | Confident | 3 Ų | 3 | 75.2 Ų | 75.2 | 1% | 0.011 | 36% | 0.356 | C | S | . | . | trans | -146.5 | 148.9 | 175.6 | 61.3 | -93.6 | 0 | 0 | 0 | 108.5 | L37 P69 S72 C121 V125 K205 | W34-L37 HydrophobicContact CH2-CD1 4.21Å; W34-L37 HydrophobicContact CH2-CD2 3.75Å; W34-L37 HydrophobicContact CH2-CG 3.84Å; W34-L37 HydrophobicContact CZ3-CD1 4.36Å; W34-L37 HydrophobicContact CZ3-CD2 3.78Å; W34-L37 HydrophobicContact CZ3-CG 3.62Å; W34-P69 HydrophobicContact CB-CB 3.99Å; W34-P69 HydrophobicContact CD2-CB 3.6Å; W34-P69 HydrophobicContact CD2-CG 4.2Å; W34-P69 HydrophobicContact CE3-CB 4Å; W34-P69 HydrophobicContact CG-CB 3.62Å; W34-P69 HydrophobicContact CZ2-CG 4.27Å; W34-S72 WeakPolarHBondContact CB-OG 3.36Å; W34-C121 PolarHBondContact NE1-O 2.9Å; W34-V125 HydrophobicContact CH2-CG2 3.51Å; W34-V125 HydrophobicContact CZ2-CG2 3.71Å; W34-K205 HydrophobicContact CD2-CD 4.17Å; W34-K205 HydrophobicContact CE3-CB 4.5Å; W34-K205 HydrophobicContact CE3-CD 3.81Å; W34-K205 HydrophobicContact CE3-CG 4.13Å; W34-K205 HydrophobicContact CH2-CB 4.32Å; W34-K205 HydrophobicContact CH2-CD 3.92Å; W34-K205 HydrophobicContact CH2-CG 3.56Å; W34-K205 HydrophobicContact CZ2-CD 4.24Å; W34-K205 HydrophobicContact CZ2-CG 4.26Å; W34-K205 HydrophobicContact CZ3-CB 3.8Å; W34-K205 HydrophobicContact CZ3-CD 3.65Å; W34-K205 HydrophobicContact CZ3-CG 3.44Å; W34-K205 VanDerWaalsContact CZ3-CG 3.44Å; W34-K205 WeakPolarHBondContact O-CD 3.03Å; W34-K205 PolarHBondContact O-NZ 3.2Å | ||
| 35 | K | 95.5 | Very high | 80.1 | Confident | 131 Ų | 131 | 72.8 Ų | 72.8 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | trans | -111.9 | -27.9 | -164.9 | -69.1 | -173.6 | 176.4 | -175.1 | 0 | 114 | D70 K205 | K35-D70 PolarHBondContact N-OD1 3.24Å; K35-K205 WeakPolarHBondContact O-CB 3.45Å | ||
| 36 | K | 96.5 | Very high | 82.3 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 7% | 0.065 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 161.2 | -177.3 | 61 | -178.1 | -179.1 | -79.4 | 0 | 110.1 | D70 C202 L203 C213 | K36-D70 HydrophobicContact CG-CB 3.74Å; K36-D70 PolarHBondContact N-OD1 3.12Å; K36-D70 IonicContact NZ-OD2 2.56Å; K36-D70 PolarHBondContact NZ-OD2 2.96Å; K36-D70 PolarHBondContact O-N 3.44Å; K36-D70 VanDerWaalsContact O-N 3.07Å; K36-C202 HydrophobicContact CD-CB 4.09Å; K36-L203 WeakPolarHBondContact CA-O 3.37Å; K36-L203 WeakPolarHBondContact CB-O 3.35Å; K36-C213 WeakPolarHBondContact CE-O 3.47Å; K36-C213 PolarHBondContact NZ-O 2.74Å |
| 37 | L | 98.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 158.4 | 169 | -70.2 | 159.9 | 0 | 0 | 0 | 109.5 | W34 L67 W68 P69 A122 L128 C202 L203 Q208 | W34-L37 HydrophobicContact CH2-CD1 4.21Å; W34-L37 HydrophobicContact CH2-CD2 3.75Å; W34-L37 HydrophobicContact CH2-CG 3.84Å; W34-L37 HydrophobicContact CZ3-CD1 4.36Å; W34-L37 HydrophobicContact CZ3-CD2 3.78Å; W34-L37 HydrophobicContact CZ3-CG 3.62Å; L37-L67 HydrophobicContact CB-CD1 3.93Å; L37-L67 HydrophobicContact CD1-CD1 4.39Å; L37-L67 HydrophobicContact CD2-CD1 4.44Å; L37-L67 HydrophobicContact CD2-CG 4.23Å; L37-L67 HydrophobicContact CG-CD1 4.45Å; L37-W68 CarbonylContact C-O 3.54Å; L37-W68 VanDerWaalsContact CA-O 3.27Å; L37-W68 WeakPolarHBondContact CA-O 3.37Å; L37-P69 HydrophobicContact CD2-CG 3.91Å; L37-A122 HydrophobicContact CD2-CB 4.31Å; L37-L128 HydrophobicContact CD1-CD1 3.6Å; L37-L128 HydrophobicContact CD2-CD1 4.46Å; L37-C202 CarbonylContact O-C 3.41Å; L37-C202 VanDerWaalsContact O-CA 3.31Å; L37-C202 WeakPolarHBondContact O-CA 3.4Å; L37-L203 HydrophobicContact CB-CB 4.14Å; L37-L203 PolarHBondContact N-O 2.98Å; L37-L203 PolarHBondContact O-N 2.65Å; L37-Q208 HydrophobicContact CD1-CG 3.7Å |
| 38 | I | 98.6 | Very high | 87.2 | Confident | 23 Ų | 23 | 47.5 Ų | 47.5 | 12% | 0.118 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 114 | 173.9 | -47 | 178.5 | 0 | 0 | 0 | 106.3 | V40 L67 W68 D70 E200 | I38-V40 HydrophobicContact CB-CG2 4.27Å; I38-V40 HydrophobicContact CG2-CG2 3.83Å; I38-L67 CarbonylContact O-C 3.53Å; I38-L67 WeakPolarHBondContact O-CA 3.29Å; I38-W68 PolarHBondContact N-O 3.15Å; I38-W68 PolarHBondContact O-N 2.65Å; I38-D70 HydrophobicContact CD1-CB 4.12Å; I38-D70 HydrophobicContact CG1-CB 4.35Å; I38-E200 HydrophobicContact CG2-CB 3.68Å; I38-E200 HydrophobicContact CG2-CG 3.93Å |
| 39 | M | 98.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 117 | 168.4 | 179.1 | 60.2 | -179.2 | 0 | 0 | 108.2 | Q41 I64 L67 Y142 L145 E200 L201 L203 | M39-Q41 HydrophobicContact CE-CG 4.07Å; M39-I64 HydrophobicContact CE-CB 4.39Å; M39-I64 HydrophobicContact CE-CD1 4.22Å; M39-I64 HydrophobicContact CE-CG1 3.79Å; M39-I64 HydrophobicContact CE-CG2 3.99Å; M39-L67 HydrophobicContact CB-CD1 4.42Å; M39-Y142 HydrophobicContact CE-CD2 4.29Å; M39-L145 HydrophobicContact CB-CD1 4.2Å; M39-L145 HydrophobicContact CG-CD1 3.76Å; M39-E200 WeakPolarHBondContact O-CA 3.3Å; M39-L201 PolarHBondContact N-O 3.48Å; M39-L201 PolarHBondContact O-N 3.08Å; M39-L203 HydrophobicContact CB-CD1 3.88Å; M39-L203 HydrophobicContact CB-CG 4.45Å |
| 40 | V | 98.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 120.6 | -172.2 | -169.9 | 0 | 0 | 0 | 0 | 109.3 | I38 H65 G66 W68 Q198 E200 | I38-V40 HydrophobicContact CB-CG2 4.27Å; I38-V40 HydrophobicContact CG2-CG2 3.83Å; V40-H65 HydrophobicContact CB-CB 4.04Å; V40-H65 HydrophobicContact CG1-CB 3.71Å; V40-H65 PolarHBondContact O-N 3.07Å; V40-G66 WeakPolarHBondContact CB-O 3.49Å; V40-G66 PolarHBondContact N-O 3.48Å; V40-G66 PolarHBondContact O-N 3.17Å; V40-W68 HydrophobicContact CB-CH2 4.3Å; V40-W68 HydrophobicContact CB-CZ2 4.26Å; V40-W68 HydrophobicContact CB-CZ3 4.46Å; V40-W68 HydrophobicContact CG1-CH2 3.9Å; V40-W68 HydrophobicContact CG1-CZ2 4.22Å; V40-W68 HydrophobicContact CG1-CZ3 4.2Å; V40-W68 HydrophobicContact CG2-CD2 3.61Å; V40-W68 HydrophobicContact CG2-CE3 3.52Å; V40-W68 HydrophobicContact CG2-CG 4.24Å; V40-W68 HydrophobicContact CG2-CH2 4.05Å; V40-W68 HydrophobicContact CG2-CZ2 4.15Å; V40-W68 HydrophobicContact CG2-CZ3 3.74Å; V40-Q198 HydrophobicContact CG1-CG 3.57Å; V40-Q198 VanDerWaalsContact CG1-OE1 3.28Å; V40-E200 HydrophobicContact CG1-CG 4.11Å; V40-E200 HydrophobicContact CG2-CG 4.14Å |
| 41 | Q | 98.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.3 | 175.1 | -65.8 | 172.6 | 101.4 | 0 | 0 | 109.2 | M39 W62 T63 Y142 L147 Q198 I199 | M39-Q41 HydrophobicContact CE-CG 4.07Å; Q41-W62 HydrophobicContact CB-CE3 4.4Å; Q41-T63 CarbonylContact C-O 3.58Å; Q41-T63 WeakPolarHBondContact CA-O 3.28Å; Q41-Y142 HydrophobicContact CG-CD2 4.35Å; Q41-Y142 VanDerWaalsContact OE1-CE2 3.31Å; Q41-L147 HydrophobicContact CB-CD2 4.07Å; Q41-Q198 CarbonylContact O-C 3.49Å; Q41-Q198 WeakPolarHBondContact O-CA 3.04Å; Q41-I199 PolarHBondContact N-O 3.29Å; Q41-I199 PolarHBondContact O-N 2.99Å |
| 42 | H | 97.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 158.5 | 179.6 | 58.3 | -165.4 | 0 | 0 | 0 | 112.3 | P44 V47 W62 T63 H65 V100 G197 Q198 | H42-P44 WeakPolarHBondContact O-CD 3.39Å; H42-V47 HydrophobicContact CB-CG1 4.08Å; H42-V47 HydrophobicContact CB-CG2 4.21Å; H42-W62 WeakPolarHBondContact O-CA 3.33Å; H42-T63 PolarHBondContact CD2-O 2.98Å; H42-T63 VanDerWaalsContact CD2-O 3.31Å; H42-T63 PolarHBondContact CD2-OG1 3.15Å; H42-T63 PolarHBondContact N-O 3.17Å; H42-T63 PolarHBondContact NE2-OG1 3.08Å; H42-T63 VanDerWaalsContact NE2-OG1 3.09Å; H42-T63 PolarHBondContact O-N 3.49Å; H42-H65 AromaticContact ND1-CG 3.72Å; H42-H65 AromaticContact ND1-ND1 3.79Å; H42-V100 WeakPolarHBondContact CE1-CG2 3.26Å; H42-V100 WeakPolarHBondContact NE2-CG2 3.38Å; H42-G197 CarbonylContact C-O 3.44Å; H42-G197 WeakPolarHBondContact CA-O 3.27Å; H42-G197 WeakPolarHBondContact CB-O 3.48Å; H42-Q198 HydrophobicContact CB-CB 4.36Å |
| 43 | W | 97.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | trans | -95 | 111.8 | 175.7 | -176.2 | -117.4 | 0 | 0 | 0 | 109.8 | E45 T46 V47 D60 Y61 W62 P158 G197 Y248 P249 P251 | W43-E45 PolarHBondContact O-N 3.37Å; W43-T46 PolarHBondContact O-N 3.37Å; W43-V47 PolarHBondContact O-N 2.94Å; W43-D60 VanDerWaalsContact CH2-C 3.43Å; W43-D60 WeakPolarHBondContact CH2-O 3.48Å; W43-Y61 VanDerWaalsContact CZ3-C 3.44Å; W43-Y61 VanDerWaalsContact CZ3-CA 3.5Å; W43-W62 HydrophobicContact CB-CD2 4.29Å; W43-W62 HydrophobicContact CB-CE3 4.15Å; W43-W62 HydrophobicContact CB-CH2 3.86Å; W43-W62 HydrophobicContact CB-CZ2 4.02Å; W43-W62 HydrophobicContact CB-CZ3 3.93Å; W43-W62 AromaticContact CE3-CD1 3.72Å; W43-W62 HydrophobicContact CE3-CD2 4.12Å; W43-W62 AromaticContact CE3-CE2 3.96Å; W43-W62 AromaticContact CE3-CG 3.97Å; W43-W62 HydrophobicContact CE3-CG 3.97Å; W43-W62 AromaticContact CE3-NE1 3.69Å; W43-W62 AromaticContact CZ3-CD1 3.91Å; W43-W62 HydrophobicContact CZ3-CG 4.47Å; W43-P158 HydrophobicContact CH2-CG 3.54Å; W43-P158 HydrophobicContact CZ2-CB 4.17Å; W43-P158 HydrophobicContact CZ2-CG 3.47Å; W43-P158 VanDerWaalsContact CZ2-CG 3.47Å; W43-G197 PolarHBondContact N-O 3.38Å; W43-Y248 HydrophobicContact CD2-CD2 4.43Å; W43-Y248 AromaticContact CD2-CE2 3.5Å; W43-Y248 HydrophobicContact CD2-CE2 3.5Å; W43-Y248 AromaticContact CE2-CE2 3.48Å; W43-Y248 VanDerWaalsContact CE2-CE2 3.48Å; W43-Y248 AromaticContact CE3-CE2 3.82Å; W43-Y248 HydrophobicContact CE3-CE2 3.82Å; W43-Y248 HydrophobicContact CG-CD2 4.45Å; W43-Y248 AromaticContact CG-CE2 3.88Å; W43-Y248 HydrophobicContact CG-CE2 3.88Å; W43-Y248 HydrophobicContact CH2-CE2 4.15Å; W43-Y248 WeakPolarHBondContact CH2-OH 3.24Å; W43-Y248 AromaticContact CZ2-CE2 3.84Å; W43-Y248 HydrophobicContact CZ2-CE2 3.84Å; W43-Y248 HydrophobicContact CZ3-CE2 4.11Å; W43-Y248 WeakPolarHBondContact CZ3-OH 3.04Å; W43-Y248 AromaticContact NE1-CE2 3.77Å; W43-P249 PolarHBondContact NE1-O 2.88Å; W43-P251 HydrophobicContact CH2-CG 4.26Å; W43-P251 HydrophobicContact CZ2-CG 3.76Å | ||
| 44 | P | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -53.7 | -45.4 | -172.5 | -31.4 | 38.1 | 0 | 0 | 0 | 114.5 | H42 T46 V47 C48 P58 P59 Y61 T63 V100 | H42-P44 WeakPolarHBondContact O-CD 3.39Å; P44-T46 PolarHBondContact O-N 3.48Å; P44-T46 VanDerWaalsContact O-N 3.12Å; P44-V47 PolarHBondContact O-N 3.43Å; P44-C48 WeakPolarHBondContact O-CB 3.23Å; P44-C48 PolarHBondContact O-N 3.32Å; P44-C48 PolarHBondContact O-SG 2.95Å; P44-P58 HydrophobicContact CB-CB 3.74Å; P44-P59 HydrophobicContact CG-CB 4.08Å; P44-P59 HydrophobicContact CG-CG 4.18Å; P44-Y61 VanDerWaalsContact CD-O 3.3Å; P44-Y61 WeakPolarHBondContact CD-O 3.47Å; P44-T63 HydrophobicContact CG-CG2 4.2Å; P44-V100 HydrophobicContact CB-CB 4.1Å; P44-V100 HydrophobicContact CB-CG1 3.92Å; P44-V100 HydrophobicContact CB-CG2 4.29Å; P44-V100 HydrophobicContact CG-CG1 4.18Å; P44-V100 HydrophobicContact CG-CG2 4.29Å |
| 45 | E | 94.1 | Very high | 90.3 | Very high | 21 Ų | 21 | 37 Ų | 37 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.5 | -28.4 | -178.5 | -178.7 | 61 | -141.9 | 0 | 0 | 113 | W43 P249 P251 K252 | W43-E45 PolarHBondContact O-N 3.37Å; E45-P249 HydrophobicContact CB-CG 4.28Å; E45-P249 HydrophobicContact CG-CB 3.85Å; E45-P249 HydrophobicContact CG-CG 3.97Å; E45-P251 WeakPolarHBondContact OE2-CA 3.38Å; E45-K252 VanDerWaalsContact OE1-CD 3.23Å; E45-K252 WeakPolarHBondContact OE1-CD 3.28Å; E45-K252 VanDerWaalsContact OE1-CE 3.23Å; E45-K252 WeakPolarHBondContact OE1-CE 3.45Å; E45-K252 VanDerWaalsContact OE1-CG 3.24Å; E45-K252 WeakPolarHBondContact OE1-CG 3.38Å; E45-K252 IonicContact OE1-NZ 3.91Å; E45-K252 PolarHBondContact OE1-NZ 3.48Å; E45-K252 PolarHBondContact OE2-N 3.18Å |
| 46 | T | 94.3 | Very high | 89.7 | Confident | 14 Ų | 14 | 37.8 Ų | 37.8 | 9% | 0.086 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -82.1 | -43.3 | 176.9 | -58.3 | 0 | 0 | 0 | 0 | 112 | W43 P44 L185 T195 V196 P249 | W43-T46 PolarHBondContact O-N 3.37Å; P44-T46 PolarHBondContact O-N 3.48Å; P44-T46 VanDerWaalsContact O-N 3.12Å; T46-L185 HydrophobicContact CG2-CD1 3.72Å; T46-L185 HydrophobicContact CG2-CG 3.94Å; T46-L185 WeakPolarHBondContact O-CD1 3.4Å; T46-T195 HydrophobicContact CG2-CG2 3.72Å; T46-T195 WeakPolarHBondContact OG1-CG2 3.45Å; T46-V196 WeakPolarHBondContact CB-O 3.46Å; T46-V196 WeakPolarHBondContact CG2-O 3.3Å; T46-V196 PolarHBondContact OG1-O 2.89Å; T46-P249 VanDerWaalsContact OG1-CG 3.32Å; T46-P249 WeakPolarHBondContact OG1-CG 3.32Å |
| 47 | V | 92.6 | Very high | 88.9 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 9% | 0.085 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -90.7 | -10.7 | -170.8 | -58.2 | 0 | 0 | 0 | 0 | 114 | H42 W43 P44 E49 V100 L238 | H42-V47 HydrophobicContact CB-CG1 4.08Å; H42-V47 HydrophobicContact CB-CG2 4.21Å; W43-V47 PolarHBondContact O-N 2.94Å; P44-V47 PolarHBondContact O-N 3.43Å; V47-E49 PolarHBondContact O-N 2.88Å; V47-E49 VanDerWaalsContact O-N 3.12Å; V47-V100 CarbonylContact C-O 3.08Å; V47-V100 HydrophobicContact CG2-CG2 3.89Å; V47-L238 HydrophobicContact CG1-CD1 4.18Å |
| 48 | C | 89.4 | Confident | 88.3 | Confident | 29 Ų | 29 | 41.6 Ų | 41.6 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | trans | -65 | 106.9 | 175.5 | -85 | 0 | 0 | 0 | 0 | 112 | P44 C55 V100 | P44-C48 WeakPolarHBondContact O-CB 3.23Å; P44-C48 PolarHBondContact O-N 3.32Å; P44-C48 PolarHBondContact O-SG 2.95Å; C48-C55 WeakPolarHBondContact CA-SG 3.4Å; C48-C55 HydrophobicContact CB-CB 3.63Å; C48-C55 WeakPolarHBondContact CB-SG 3.25Å; C48-C55 WeakPolarHBondContact SG-CA 3.46Å; C48-C55 WeakPolarHBondContact SG-CB 3.49Å; C48-C55 CovalentContact SG-SG 2.02Å; C48-C55 PolarHBondContact SG-SG 3.23Å; C48-V100 WeakPolarHBondContact CA-O 3.39Å; C48-V100 PolarHBondContact N-O 3.33Å | ||
| 49 | E | 75.7 | Confident | 88.1 | Confident | 107 Ų | 107 | 41.5 Ų | 41.5 | 50% | 0.5 | 20% | 0.203 | S | C | . | . | trans | -79.3 | -27.9 | 178.8 | -68.7 | -172.5 | 175.8 | 0 | 0 | 114.2 | V47 R236 | V47-E49 PolarHBondContact O-N 2.88Å; V47-E49 VanDerWaalsContact O-N 3.12Å; E49-R236 IonicContact OE1-CZ 3.38Å; E49-R236 IonicContact OE1-NE 3.06Å; E49-R236 PolarHBondContact OE1-NE 2.98Å; E49-R236 IonicContact OE1-NH2 3.96Å; E49-R236 PolarHBondContact OE1-NH2 2.79Å; E49-R236 IonicContact OE2-CZ 2.61Å; E49-R236 IonicContact OE2-NE 2.76Å; E49-R236 IonicContact OE2-NH2 3.04Å; E49-R236 PolarHBondContact OE2-NH2 3.08Å | ||
| 50 | K | 72.8 | Confident | 87.9 | Confident | 123 Ų | 123 | 47 Ų | 47 | 54% | 0.535 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -138.1 | 134.9 | -173.4 | -63.5 | -175.9 | -177.2 | 178.9 | 0 | 110.6 | Q52 C55 | K50-Q52 HydrophobicContact CB-CG 3.92Å; K50-Q52 PolarHBondContact O-N 2.89Å; K50-C55 WeakPolarHBondContact O-CB 3.31Å |
| 51 | I | 76.8 | Confident | 87.8 | Confident | 130 Ų | 130 | 50.3 Ų | 50.3 | 67% | 0.667 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -75.3 | 72.1 | 176.8 | -50.8 | 175.7 | 0 | 0 | 0 | 109.8 | I254 | I51-I254 HydrophobicContact CG2-CD1 3.89Š|
| 52 | Q | 77 | Confident | 87.8 | Confident | 72 Ų | 72 | 50.3 Ų | 50.3 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -150.5 | 155.6 | 180 | 67.5 | -178.9 | 37.4 | 0 | 0 | 111.3 | K50 D54 C55 R56 S103 | K50-Q52 HydrophobicContact CB-CG 3.92Å; K50-Q52 PolarHBondContact O-N 2.89Å; Q52-D54 PolarHBondContact O-N 3.35Å; Q52-C55 CarbonylContact O-C 3.46Å; Q52-C55 WeakPolarHBondContact O-CA 3.32Å; Q52-C55 WeakPolarHBondContact O-CB 3.11Å; Q52-C55 PolarHBondContact O-N 3.15Å; Q52-R56 PolarHBondContact O-N 3.44Å; Q52-S103 PolarHBondContact NE2-O 2.91Å; Q52-S103 VanDerWaalsContact O-CB 3.3Å; Q52-S103 WeakPolarHBondContact O-CB 3.42Å |
| 53 | N | 83.7 | Confident | 87.9 | Confident | 76 Ų | 76 | 50.3 Ų | 50.3 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | 47.7 | -123.2 | 177.4 | -56.2 | -50.9 | 0 | 0 | 0 | 112.1 | C55 R56 S103 | N53-C55 PolarHBondContact O-N 3.31Å; N53-R56 VanDerWaalsContact O-CB 3.25Å; N53-R56 WeakPolarHBondContact O-CB 3.44Å; N53-R56 PolarHBondContact O-N 3.42Å; N53-S103 PolarHBondContact ND2-O 2.65Å |
| 54 | D | 80.5 | Confident | 87.9 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 10% | 0.102 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -66.2 | -16.6 | -178.7 | -61.8 | -19 | 0 | 0 | 0 | 113 | Q52 P98 D99 V100 R107 | Q52-D54 PolarHBondContact O-N 3.35Å; D54-P98 HydrophobicContact CB-CB 4.12Å; D54-D99 PolarHBondContact OD2-N 2.99Å; D54-D99 VanDerWaalsContact OD2-N 3.09Å; D54-V100 HydrophobicContact CB-CG1 4.2Å; D54-R107 IonicContact OD1-CZ 2.65Å; D54-R107 IonicContact OD1-NE 2.81Å; D54-R107 PolarHBondContact OD1-NE 3.08Å; D54-R107 IonicContact OD1-NH2 3.52Å; D54-R107 PolarHBondContact OD1-NH2 3.41Å; D54-R107 VanDerWaalsContact OD2-CD 3.3Å; D54-R107 WeakPolarHBondContact OD2-CD 3.23Å; D54-R107 IonicContact OD2-CZ 3.84Å; D54-R107 IonicContact OD2-NE 2.7Å; D54-R107 PolarHBondContact OD2-NE 3.21Å |
| 55 | C | 83.3 | Confident | 88 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -97.6 | 3.1 | 172.9 | -75 | 0 | 0 | 0 | 0 | 114 | C48 K50 Q52 N53 V100 S103 | C48-C55 WeakPolarHBondContact CA-SG 3.4Å; C48-C55 HydrophobicContact CB-CB 3.63Å; C48-C55 WeakPolarHBondContact CB-SG 3.25Å; C48-C55 WeakPolarHBondContact SG-CA 3.46Å; C48-C55 WeakPolarHBondContact SG-CB 3.49Å; C48-C55 CovalentContact SG-SG 2.02Å; C48-C55 PolarHBondContact SG-SG 3.23Å; K50-C55 WeakPolarHBondContact O-CB 3.31Å; Q52-C55 CarbonylContact O-C 3.46Å; Q52-C55 WeakPolarHBondContact O-CA 3.32Å; Q52-C55 WeakPolarHBondContact O-CB 3.11Å; Q52-C55 PolarHBondContact O-N 3.15Å; N53-C55 PolarHBondContact O-N 3.31Å; C55-V100 VanDerWaalsContact SG-C 3.57Å; C55-V100 VanDerWaalsContact SG-CA 3.53Å; C55-V100 PolarHBondContact SG-O 3.02Å; C55-S103 VanDerWaalsContact CB-OG 3.28Å; C55-S103 WeakPolarHBondContact CB-OG 3.44Å; C55-S103 PolarHBondContact SG-OG 3.01Å |
| 56 | R | 82.3 | Confident | 88.2 | Confident | 146 Ų | 146 | 50.6 Ų | 50.6 | 55% | 0.551 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -45 | 171.3 | -172.4 | -178.4 | -163.1 | 173.6 | 3.9 | 110.5 | Q52 N53 I254 | Q52-R56 PolarHBondContact O-N 3.44Å; N53-R56 VanDerWaalsContact O-CB 3.25Å; N53-R56 WeakPolarHBondContact O-CB 3.44Å; N53-R56 PolarHBondContact O-N 3.42Å; R56-I254 HydrophobicContact CG-CD1 4.48Å; R56-I254 VanDerWaalsContact O-CD1 3.25Å; R56-I254 WeakPolarHBondContact O-CD1 3.39Å |
| 57 | D | 80.8 | Confident | 88.4 | Confident | 80 Ų | 80 | 50 Ų | 50 | 43% | 0.428 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -130.8 | 80.9 | 174 | -62.7 | -70.7 | 0 | 0 | 0 | 106.4 | ||
| 58 | P | 86.4 | Confident | 88.7 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 10% | 0.104 | 25% | 0.245 | C | C | . | . | trans | -56.1 | 137.9 | -175.2 | -22.3 | 32 | 0 | 0 | 0 | 110.7 | P44 D60 | P44-P58 HydrophobicContact CB-CB 3.74Å; P58-D60 PolarHBondContact O-N 3.5Å | ||
| 59 | P | 92.9 | Very high | 89.1 | Confident | 21 Ų | 21 | 50 Ų | 50 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | trans | -52.9 | 138.2 | 174.1 | -23.5 | 30.3 | 0 | 0 | 0 | 111.5 | P44 Y61 T63 P98 V100 | P44-P59 HydrophobicContact CG-CB 4.08Å; P44-P59 HydrophobicContact CG-CG 4.18Å; P59-Y61 HydrophobicContact CB-CD1 4.09Å; P59-Y61 HydrophobicContact CB-CD2 4.22Å; P59-Y61 HydrophobicContact CB-CE1 3.77Å; P59-Y61 HydrophobicContact CB-CE2 3.92Å; P59-Y61 HydrophobicContact CB-CG 4.3Å; P59-Y61 PolarHBondContact O-N 3.1Å; P59-T63 HydrophobicContact CB-CG2 4.17Å; P59-T63 HydrophobicContact CG-CG2 4.24Å; P59-P98 HydrophobicContact CG-CG 4.17Å; P59-V100 HydrophobicContact CG-CG1 4.45Å | ||
| 60 | D | 95.3 | Very high | 89.9 | Confident | 114 Ų | 114 | 46.1 Ų | 46.1 | 61% | 0.61 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -86.5 | 26 | 179.1 | 65.2 | -16.7 | 0 | 0 | 0 | 113 | W43 P58 P251 | W43-D60 VanDerWaalsContact CH2-C 3.43Å; W43-D60 WeakPolarHBondContact CH2-O 3.48Å; P58-D60 PolarHBondContact O-N 3.5Å; D60-P251 HydrophobicContact CB-CB 4.38Å; D60-P251 HydrophobicContact CB-CG 3.59Å |
| 61 | Y | 97.6 | Very high | 90.9 | Very high | 71 Ų | 71 | 43.8 Ų | 43.8 | 28% | 0.278 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -142.3 | 153.8 | 179.3 | 51 | -92.1 | 0 | 0 | 0 | 109.8 | W43 P44 P59 T63 A95 Y96 N148 | W43-Y61 VanDerWaalsContact CZ3-C 3.44Å; W43-Y61 VanDerWaalsContact CZ3-CA 3.5Å; P44-Y61 VanDerWaalsContact CD-O 3.3Å; P44-Y61 WeakPolarHBondContact CD-O 3.47Å; P59-Y61 HydrophobicContact CB-CD1 4.09Å; P59-Y61 HydrophobicContact CB-CD2 4.22Å; P59-Y61 HydrophobicContact CB-CE1 3.77Å; P59-Y61 HydrophobicContact CB-CE2 3.92Å; P59-Y61 HydrophobicContact CB-CG 4.3Å; P59-Y61 PolarHBondContact O-N 3.1Å; Y61-T63 HydrophobicContact CD2-CG2 3.81Å; Y61-T63 HydrophobicContact CE2-CG2 3.67Å; Y61-T63 PolarHBondContact O-N 2.82Å; Y61-A95 WeakPolarHBondContact CE2-O 3.31Å; Y61-A95 PolarHBondContact OH-O 2.93Å; Y61-A95 VanDerWaalsContact OH-O 3.08Å; Y61-Y96 HydrophobicContact CE2-CD1 4.39Å; Y61-N148 WeakPolarHBondContact CA-OD1 3.24Å; Y61-N148 VanDerWaalsContact CB-OD1 3.31Å; Y61-N148 WeakPolarHBondContact CB-OD1 3.47Å |
| 62 | W | 98.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -61.1 | 131.9 | 171.3 | -69.5 | 82.3 | 0 | 0 | 0 | 109.8 | Q41 H42 W43 Y142 L147 N148 L151 V196 I199 Y248 | Q41-W62 HydrophobicContact CB-CE3 4.4Å; H42-W62 WeakPolarHBondContact O-CA 3.33Å; W43-W62 HydrophobicContact CB-CD2 4.29Å; W43-W62 HydrophobicContact CB-CE3 4.15Å; W43-W62 HydrophobicContact CB-CH2 3.86Å; W43-W62 HydrophobicContact CB-CZ2 4.02Å; W43-W62 HydrophobicContact CB-CZ3 3.93Å; W43-W62 AromaticContact CE3-CD1 3.72Å; W43-W62 HydrophobicContact CE3-CD2 4.12Å; W43-W62 AromaticContact CE3-CE2 3.96Å; W43-W62 AromaticContact CE3-CG 3.97Å; W43-W62 HydrophobicContact CE3-CG 3.97Å; W43-W62 AromaticContact CE3-NE1 3.69Å; W43-W62 AromaticContact CZ3-CD1 3.91Å; W43-W62 HydrophobicContact CZ3-CG 4.47Å; W62-Y142 WeakPolarHBondContact O-CE2 3.28Å; W62-Y142 PolarHBondContact O-OH 2.95Å; W62-L147 HydrophobicContact CB-CD2 4.04Å; W62-L147 HydrophobicContact CD2-CD2 3.85Å; W62-L147 HydrophobicContact CE3-CD2 4.07Å; W62-L147 HydrophobicContact CG-CD2 3.82Å; W62-L147 HydrophobicContact CG-CG 4.33Å; W62-N148 WeakPolarHBondContact CB-OD1 3.31Å; W62-N148 PolarHBondContact N-OD1 3.24Å; W62-N148 PolarHBondContact O-ND2 2.98Å; W62-N148 VanDerWaalsContact O-ND2 3.07Å; W62-L151 HydrophobicContact CZ2-CD1 4.45Å; W62-V196 HydrophobicContact CH2-CG1 4.49Å; W62-V196 HydrophobicContact CH2-CG2 4.02Å; W62-V196 HydrophobicContact CZ2-CG1 4.43Å; W62-I199 HydrophobicContact CE3-CD1 4.4Å; W62-I199 HydrophobicContact CH2-CD1 3.57Å; W62-I199 HydrophobicContact CH2-CG1 3.76Å; W62-I199 HydrophobicContact CZ2-CD1 3.7Å; W62-I199 HydrophobicContact CZ2-CG1 4.41Å; W62-I199 HydrophobicContact CZ3-CB 4.21Å; W62-I199 HydrophobicContact CZ3-CD1 3.94Å; W62-I199 HydrophobicContact CZ3-CG1 3.86Å; W62-Y248 HydrophobicContact CZ2-CE2 4.12Å; W62-Y248 AromaticContact NE1-CZ 3.71Å; W62-Y248 PolarHBondContact NE1-OH 2.95Å; W62-Y248 VanDerWaalsContact NE1-OH 3.09Å | ||
| 63 | T | 98.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 160.5 | 179.2 | 52.4 | 0 | 0 | 0 | 0 | 111.4 | Q41 H42 P44 P59 Y61 H65 Y96 P98 | Q41-T63 CarbonylContact C-O 3.58Å; Q41-T63 WeakPolarHBondContact CA-O 3.28Å; H42-T63 PolarHBondContact CD2-O 2.98Å; H42-T63 VanDerWaalsContact CD2-O 3.31Å; H42-T63 PolarHBondContact CD2-OG1 3.15Å; H42-T63 PolarHBondContact N-O 3.17Å; H42-T63 PolarHBondContact NE2-OG1 3.08Å; H42-T63 VanDerWaalsContact NE2-OG1 3.09Å; H42-T63 PolarHBondContact O-N 3.49Å; P44-T63 HydrophobicContact CG-CG2 4.2Å; P59-T63 HydrophobicContact CB-CG2 4.17Å; P59-T63 HydrophobicContact CG-CG2 4.24Å; Y61-T63 HydrophobicContact CD2-CG2 3.81Å; Y61-T63 HydrophobicContact CE2-CG2 3.67Å; Y61-T63 PolarHBondContact O-N 2.82Å; T63-H65 PolarHBondContact O-N 2.97Å; T63-Y96 WeakPolarHBondContact CB-O 3.37Å; T63-P98 HydrophobicContact CG2-CG 3.73Å |
| 64 | I | 98.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 127 | 175.7 | -53 | 174.3 | 0 | 0 | 0 | 109 | M39 Y96 W97 L139 Y142 | M39-I64 HydrophobicContact CE-CB 4.39Å; M39-I64 HydrophobicContact CE-CD1 4.22Å; M39-I64 HydrophobicContact CE-CG1 3.79Å; M39-I64 HydrophobicContact CE-CG2 3.99Å; I64-Y96 WeakPolarHBondContact CB-O 3.42Å; I64-Y96 WeakPolarHBondContact CG1-O 3.44Å; I64-Y96 PolarHBondContact N-O 3.14Å; I64-W97 HydrophobicContact CB-CB 4.1Å; I64-W97 HydrophobicContact CB-CD2 3.86Å; I64-W97 HydrophobicContact CB-CE3 4.3Å; I64-W97 HydrophobicContact CB-CG 3.76Å; I64-W97 HydrophobicContact CD1-CB 4.4Å; I64-W97 HydrophobicContact CD1-CD2 4.39Å; I64-W97 HydrophobicContact CD1-CE3 4.05Å; I64-W97 HydrophobicContact CG2-CD2 3.48Å; I64-W97 VanDerWaalsContact CG2-CD2 3.48Å; I64-W97 HydrophobicContact CG2-CE3 3.77Å; I64-W97 HydrophobicContact CG2-CG 3.93Å; I64-W97 HydrophobicContact CG2-CH2 4.15Å; I64-W97 HydrophobicContact CG2-CZ2 3.91Å; I64-W97 HydrophobicContact CG2-CZ3 4.08Å; I64-W97 PolarHBondContact O-NE1 3.28Å; I64-L139 HydrophobicContact CD1-CD2 3.93Å; I64-Y142 HydrophobicContact CD1-CD1 4.45Å; I64-Y142 HydrophobicContact CD1-CD2 4.14Å; I64-Y142 HydrophobicContact CD1-CG 3.8Å; I64-Y142 HydrophobicContact CG1-CD2 3.47Å; I64-Y142 VanDerWaalsContact CG1-CD2 3.47Å; I64-Y142 HydrophobicContact CG1-CE2 4.18Å; I64-Y142 HydrophobicContact CG1-CG 3.68Å |
| 65 | H | 97.8 | Very high | 93.9 | Very high | 28 Ų | 28 | 35.2 Ų | 35.2 | 13% | 0.13 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -52.6 | 160.6 | -169.8 | 167.5 | 0 | 0 | 0 | 109 | V40 H42 T63 W68 W97 I101 F110 E114 Q198 | V40-H65 HydrophobicContact CB-CB 4.04Å; V40-H65 HydrophobicContact CG1-CB 3.71Å; V40-H65 PolarHBondContact O-N 3.07Å; H42-H65 AromaticContact ND1-CG 3.72Å; H42-H65 AromaticContact ND1-ND1 3.79Å; T63-H65 PolarHBondContact O-N 2.97Å; H65-W68 HydrophobicContact CB-CZ2 4.46Å; H65-W68 AromaticContact CD2-CZ2 3.56Å; H65-W68 AromaticContact CE1-CH2 3.67Å; H65-W68 AromaticContact CE1-CZ2 3.72Å; H65-W68 AromaticContact CG-CZ2 3.72Å; H65-W68 AromaticContact ND1-CH2 3.77Å; H65-W68 AromaticContact ND1-CZ2 3.8Å; H65-W68 AromaticContact NE2-CZ2 3.6Å; H65-W97 WeakPolarHBondContact O-CZ2 3.42Å; H65-W97 PolarHBondContact O-NE1 3.26Å; H65-I101 VanDerWaalsContact CE1-CD1 3.47Å; H65-I101 WeakPolarHBondContact CE1-CD1 3.24Å; H65-I101 WeakPolarHBondContact NE2-CD1 3.26Å; H65-F110 AromaticContact CD2-CE2 3.98Å; H65-F110 AromaticContact CD2-CZ 3.68Å; H65-F110 WeakPolarHBondContact O-CZ 3.16Å; H65-E114 IonicContact CD2-OE1 2.77Å; H65-Q198 PolarHBondContact ND1-OE1 2.87Å |
| 66 | G | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.4 | -175.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | V40 | V40-G66 WeakPolarHBondContact CB-O 3.49Å; V40-G66 PolarHBondContact N-O 3.48Å; V40-G66 PolarHBondContact O-N 3.17Å |
| 67 | L | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 100.8 | 179.4 | 178.4 | 65.2 | 0 | 0 | 0 | 109.5 | L37 I38 M39 L128 Y134 S138 L141 L203 | L37-L67 HydrophobicContact CB-CD1 3.93Å; L37-L67 HydrophobicContact CD1-CD1 4.39Å; L37-L67 HydrophobicContact CD2-CD1 4.44Å; L37-L67 HydrophobicContact CD2-CG 4.23Å; L37-L67 HydrophobicContact CG-CD1 4.45Å; I38-L67 CarbonylContact O-C 3.53Å; I38-L67 WeakPolarHBondContact O-CA 3.29Å; M39-L67 HydrophobicContact CB-CD1 4.42Å; L67-L128 HydrophobicContact CD2-CD1 4.27Å; L67-L128 HydrophobicContact CD2-CD2 4.28Å; L67-Y134 HydrophobicContact CB-CE2 3.97Å; L67-Y134 HydrophobicContact CD2-CD2 4.4Å; L67-Y134 HydrophobicContact CD2-CE2 4.18Å; L67-Y134 HydrophobicContact CG-CE2 4.27Å; L67-Y134 WeakPolarHBondContact O-CE2 3.48Å; L67-Y134 PolarHBondContact O-OH 2.93Å; L67-S138 WeakPolarHBondContact CB-OG 3.36Å; L67-S138 WeakPolarHBondContact CD2-OG 3.49Å; L67-L141 HydrophobicContact CD1-CD1 4.07Å; L67-L141 HydrophobicContact CD2-CD1 4.06Å; L67-L203 HydrophobicContact CD1-CD1 3.99Å |
| 68 | W | 98.5 | Very high | 96 | Very high | 38 Ų | 38 | 44.1 Ų | 44.1 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.6 | -161.8 | -54.8 | -19.7 | 0 | 0 | 0 | 113.3 | L37 I38 V40 H65 D70 E114 H118 | L37-W68 CarbonylContact C-O 3.54Å; L37-W68 VanDerWaalsContact CA-O 3.27Å; L37-W68 WeakPolarHBondContact CA-O 3.37Å; I38-W68 PolarHBondContact N-O 3.15Å; I38-W68 PolarHBondContact O-N 2.65Å; V40-W68 HydrophobicContact CB-CH2 4.3Å; V40-W68 HydrophobicContact CB-CZ2 4.26Å; V40-W68 HydrophobicContact CB-CZ3 4.46Å; V40-W68 HydrophobicContact CG1-CH2 3.9Å; V40-W68 HydrophobicContact CG1-CZ2 4.22Å; V40-W68 HydrophobicContact CG1-CZ3 4.2Å; V40-W68 HydrophobicContact CG2-CD2 3.61Å; V40-W68 HydrophobicContact CG2-CE3 3.52Å; V40-W68 HydrophobicContact CG2-CG 4.24Å; V40-W68 HydrophobicContact CG2-CH2 4.05Å; V40-W68 HydrophobicContact CG2-CZ2 4.15Å; V40-W68 HydrophobicContact CG2-CZ3 3.74Å; H65-W68 HydrophobicContact CB-CZ2 4.46Å; H65-W68 AromaticContact CD2-CZ2 3.56Å; H65-W68 AromaticContact CE1-CH2 3.67Å; H65-W68 AromaticContact CE1-CZ2 3.72Å; H65-W68 AromaticContact CG-CZ2 3.72Å; H65-W68 AromaticContact ND1-CH2 3.77Å; H65-W68 AromaticContact ND1-CZ2 3.8Å; H65-W68 AromaticContact NE2-CZ2 3.6Å; W68-D70 PolarHBondContact O-N 2.96Å; W68-E114 PolarHBondContact NE1-OE2 2.9Å; W68-H118 AromaticContact CD1-CD2 3.28Å; W68-H118 AromaticContact CD1-CE1 3.83Å; W68-H118 AromaticContact CD1-CG 3.27Å; W68-H118 AromaticContact CD1-ND1 3.64Å; W68-H118 AromaticContact CD1-NE2 3.69Å; W68-H118 AromaticContact CE2-NE2 3.84Å; W68-H118 HydrophobicContact CG-CB 4.46Å; W68-H118 AromaticContact CG-CE1 3.82Å; W68-H118 AromaticContact CG-CG 3.83Å; W68-H118 AromaticContact CG-ND1 3.7Å; W68-H118 AromaticContact NE1-CD2 3.32Å; W68-H118 PolarHBondContact NE1-CD2 3.36Å; W68-H118 VanDerWaalsContact NE1-CD2 3.32Å; W68-H118 AromaticContact NE1-CG 3.83Å; W68-H118 AromaticContact NE1-NE2 3.53Å |
| 69 | P | 97.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 129.1 | 159.8 | -30.4 | 42.2 | 0 | 0 | 0 | 111.6 | W34 L37 K71 S72 C121 A122 | W34-P69 HydrophobicContact CB-CB 3.99Å; W34-P69 HydrophobicContact CD2-CB 3.6Å; W34-P69 HydrophobicContact CD2-CG 4.2Å; W34-P69 HydrophobicContact CE3-CB 4Å; W34-P69 HydrophobicContact CG-CB 3.62Å; W34-P69 HydrophobicContact CZ2-CG 4.27Å; L37-P69 HydrophobicContact CD2-CG 3.91Å; P69-K71 VanDerWaalsContact C-N 3.33Å; P69-K71 PolarHBondContact O-N 2.73Å; P69-S72 WeakPolarHBondContact CB-OG 3.31Å; P69-C121 HydrophobicContact CB-CB 4.16Å; P69-C121 HydrophobicContact CG-CB 3.76Å; P69-A122 HydrophobicContact CG-CB 3.91Å |
| 70 | D | 92.8 | Very high | 96.8 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -24.6 | -166.3 | 71.7 | -38.7 | 0 | 0 | 0 | 116.4 | K35 K36 I38 W68 | K35-D70 PolarHBondContact N-OD1 3.24Å; K36-D70 HydrophobicContact CG-CB 3.74Å; K36-D70 PolarHBondContact N-OD1 3.12Å; K36-D70 IonicContact NZ-OD2 2.56Å; K36-D70 PolarHBondContact NZ-OD2 2.96Å; K36-D70 PolarHBondContact O-N 3.44Å; K36-D70 VanDerWaalsContact O-N 3.07Å; I38-D70 HydrophobicContact CD1-CB 4.12Å; I38-D70 HydrophobicContact CG1-CB 4.35Å; W68-D70 PolarHBondContact O-N 2.96Å |
| 71 | K | 92.6 | Very high | 96.9 | Very high | 74 Ų | 74 | 45.6 Ų | 45.6 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | 9.6 | -171.6 | -66.6 | -178.6 | -169.8 | -173.1 | 0 | 114.1 | P69 E218 | P69-K71 VanDerWaalsContact C-N 3.33Å; P69-K71 PolarHBondContact O-N 2.73Å; K71-E218 IonicContact NZ-OE1 2.76Å; K71-E218 PolarHBondContact NZ-OE1 2.85Å |
| 72 | S | 93.4 | Very high | 97 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 5% | 0.049 | 23% | 0.231 | C | C | . | . | trans | -143.5 | 136.1 | -174.2 | 66.3 | 0 | 0 | 0 | 0 | 112.2 | W34 P69 C121 | W34-S72 WeakPolarHBondContact CB-OG 3.36Å; P69-S72 WeakPolarHBondContact CB-OG 3.31Å; S72-C121 VanDerWaalsContact C-SG 3.6Å; S72-C121 PolarHBondContact O-SG 2.98Å; S72-C121 WeakPolarHBondContact OG-CB 3.35Å | ||
| 73 | E | 95.3 | Very high | 96.9 | Very high | 57 Ų | 57 | 48 Ų | 48 | 27% | 0.266 | 25% | 0.245 | S | C | . | . | trans | -140.8 | 155.5 | 177.7 | -57.5 | -176.1 | 142 | 0 | 0 | 110.5 | C75 K117 H118 C121 W227 | E73-C75 VanDerWaalsContact C-N 3.34Å; E73-C75 PolarHBondContact O-N 3.05Å; E73-K117 CarbonylContact C-O 3.49Å; E73-K117 WeakPolarHBondContact CA-O 3.44Å; E73-K117 HydrophobicContact CB-CG 4.05Å; E73-K117 HydrophobicContact CG-CG 4.31Å; E73-K117 WeakPolarHBondContact OE1-CE 3.17Å; E73-K117 IonicContact OE1-NZ 2.86Å; E73-K117 PolarHBondContact OE1-NZ 3.1Å; E73-K117 WeakPolarHBondContact OE2-CE 3.45Å; E73-K117 IonicContact OE2-NZ 2.94Å; E73-H118 IonicContact OE1-CE1 3.67Å; E73-H118 PolarHBondContact OE1-CE1 2.84Å; E73-H118 IonicContact OE1-ND1 2.92Å; E73-C121 WeakPolarHBondContact CA-SG 3.43Å; E73-W227 HydrophobicContact CG-CH2 4.47Å; E73-W227 HydrophobicContact CG-CZ2 4.44Å; E73-W227 WeakPolarHBondContact OE1-CH2 3.04Å | ||
| 74 | G | 95.9 | Very high | 96.9 | Very high | 31 Ų | 31 | 53.2 Ų | 53.2 | 32% | 0.32 | 27% | 0.269 | S | S | . | . | trans | 62.5 | 36 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N76 E116 K117 | G74-N76 VanDerWaalsContact C-N 3.27Å; G74-N76 PolarHBondContact O-N 3.01Å; G74-E116 WeakPolarHBondContact CA-O 3.43Å; G74-K117 PolarHBondContact N-O 3.29Å | ||
| 75 | C | 96.9 | Very high | 96.9 | Very high | 22 Ų | 22 | 56.6 Ų | 56.6 | 15% | 0.149 | 29% | 0.285 | C | S | . | . | trans | -72.3 | -14.2 | -167.6 | -60.9 | 0 | 0 | 0 | 0 | 115.2 | H32 E73 T120 C121 | H32-C75 HydrophobicContact CB-CB 4.26Å; H32-C75 WeakPolarHBondContact CB-SG 3.35Å; H32-C75 PolarHBondContact ND1-SG 2.86Å; H32-C75 WeakPolarHBondContact NE2-CA 3.32Å; H32-C75 PolarHBondContact NE2-O 3.15Å; E73-C75 VanDerWaalsContact C-N 3.34Å; E73-C75 PolarHBondContact O-N 3.05Å; C75-T120 PolarHBondContact N-OG1 3.02Å; C75-C121 HydrophobicContact CB-CB 3.87Å; C75-C121 WeakPolarHBondContact CB-SG 3.34Å; C75-C121 PolarHBondContact N-SG 2.8Å; C75-C121 WeakPolarHBondContact SG-CA 3.15Å; C75-C121 WeakPolarHBondContact SG-CB 3.18Å; C75-C121 CovalentContact SG-SG 2.02Å; C75-C121 PolarHBondContact SG-SG 3.43Å | ||
| 76 | N | 96.7 | Very high | 96.9 | Very high | 63 Ų | 63 | 55.3 Ų | 55.3 | 34% | 0.337 | 28% | 0.279 | S | S | . | . | trans | -148.5 | 92.2 | 176.7 | -166.8 | -16.4 | 0 | 0 | 0 | 112.5 | G74 S78 W79 T120 | G74-N76 VanDerWaalsContact C-N 3.27Å; G74-N76 PolarHBondContact O-N 3.01Å; N76-S78 PolarHBondContact O-N 3.07Å; N76-S78 WeakPolarHBondContact OD1-CA 3.39Å; N76-S78 WeakPolarHBondContact OD1-CB 3.43Å; N76-S78 PolarHBondContact OD1-N 3.09Å; N76-W79 HydrophobicContact CB-CB 4.08Å; N76-W79 PolarHBondContact O-N 2.75Å; N76-W79 PolarHBondContact OD1-N 3.42Å; N76-T120 HydrophobicContact CB-CG2 4.19Å | ||
| 77 | R | 94.8 | Very high | 96.9 | Very high | 242 Ų | 242 | 60.4 Ų | 60.4 | 91% | 0.913 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -14.5 | 176.2 | -63.5 | -176.7 | -179 | -176.7 | -0.2 | 113.9 | W79 | R77-W79 VanDerWaalsContact C-N 3.34Š|
| 78 | S | 97.8 | Very high | 96.9 | Very high | 112 Ų | 112 | 64.9 Ų | 64.9 | 78% | 0.783 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 1.6 | 176.9 | -61.6 | 0 | 0 | 0 | 0 | 112.9 | N76 P80 | N76-S78 PolarHBondContact O-N 3.07Å; N76-S78 WeakPolarHBondContact OD1-CA 3.39Å; N76-S78 WeakPolarHBondContact OD1-CB 3.43Å; N76-S78 PolarHBondContact OD1-N 3.09Å; S78-P80 VanDerWaalsContact C-CD 3.46Å; S78-P80 VanDerWaalsContact O-CD 3.24Å; S78-P80 WeakPolarHBondContact O-CD 3.37Å |
| 79 | W | 97.9 | Very high | 96.9 | Very high | 78 Ų | 78 | 64 Ų | 64 | 30% | 0.295 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -116.8 | 74.1 | 178.2 | -164.1 | 3 | 0 | 0 | 0 | 111.1 | N76 R77 W115 A123 N129 | N76-W79 HydrophobicContact CB-CB 4.08Å; N76-W79 PolarHBondContact O-N 2.75Å; N76-W79 PolarHBondContact OD1-N 3.42Å; R77-W79 VanDerWaalsContact C-N 3.34Å; W79-W115 HydrophobicContact CD2-CH2 4.35Å; W79-W115 AromaticContact CD2-CZ2 3.58Å; W79-W115 HydrophobicContact CD2-CZ2 3.58Å; W79-W115 AromaticContact CE2-CZ2 3.52Å; W79-W115 HydrophobicContact CE3-CH2 4.35Å; W79-W115 AromaticContact CE3-CZ2 3.88Å; W79-W115 HydrophobicContact CE3-CZ2 3.88Å; W79-W115 HydrophobicContact CG-CZ2 4.06Å; W79-W115 AromaticContact CH2-CH2 3.91Å; W79-W115 HydrophobicContact CH2-CH2 3.91Å; W79-W115 HydrophobicContact CH2-CZ2 4.11Å; W79-W115 AromaticContact CZ2-CH2 3.88Å; W79-W115 HydrophobicContact CZ2-CH2 3.88Å; W79-W115 AromaticContact CZ2-CZ2 3.81Å; W79-W115 HydrophobicContact CZ2-CZ2 3.81Å; W79-W115 HydrophobicContact CZ3-CH2 4.14Å; W79-W115 HydrophobicContact CZ3-CZ2 4.13Å; W79-W115 AromaticContact NE1-CZ2 3.89Å; W79-W115 PolarHBondContact O-NE1 2.83Å; W79-A123 HydrophobicContact CH2-CB 3.83Å; W79-A123 HydrophobicContact CZ3-CB 3.48Å; W79-A123 VanDerWaalsContact CZ3-CB 3.48Å; W79-N129 WeakPolarHBondContact CH2-O 3.17Å |
| 80 | P | 98.3 | Very high | 96.9 | Very high | 76 Ų | 76 | 65.3 Ų | 65.3 | 49% | 0.494 | 33% | 0.329 | S | S | . | . | trans | -67.1 | 155.1 | -176.1 | 30.4 | -36.5 | 0 | 0 | 0 | 111.6 | S78 N82 Q131 | S78-P80 VanDerWaalsContact C-CD 3.46Å; S78-P80 VanDerWaalsContact O-CD 3.24Å; S78-P80 WeakPolarHBondContact O-CD 3.37Å; P80-N82 PolarHBondContact O-N 3.07Å; P80-Q131 PolarHBondContact O-NE2 2.02Å | ||
| 81 | F | 98.6 | Very high | 97.1 | Very high | 28 Ų | 28 | 68.5 Ų | 68.5 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | trans | -60.7 | 137.4 | 172.6 | 176.2 | -108 | 0 | 0 | 0 | 111.5 | L83 I86 W111 K112 W115 E116 F135 | F81-L83 HydrophobicContact CE1-CB 3.9Å; F81-L83 HydrophobicContact CE1-CD1 3.98Å; F81-L83 HydrophobicContact CZ-CB 4.23Å; F81-L83 HydrophobicContact CZ-CD1 3.81Å; F81-I86 HydrophobicContact CE2-CD1 3.88Å; F81-I86 HydrophobicContact CE2-CG1 4.42Å; F81-I86 HydrophobicContact CZ-CD1 3.76Å; F81-I86 HydrophobicContact CZ-CG1 4.28Å; F81-W111 HydrophobicContact CE2-CB 4.26Å; F81-W111 HydrophobicContact CZ-CB 4.03Å; F81-K112 HydrophobicContact CB-CB 3.87Å; F81-K112 HydrophobicContact CB-CG 3.85Å; F81-K112 HydrophobicContact CD1-CB 3.65Å; F81-K112 HydrophobicContact CD1-CG 4.37Å; F81-K112 HydrophobicContact CE1-CB 4.42Å; F81-K112 HydrophobicContact CG-CB 3.9Å; F81-K112 HydrophobicContact CG-CG 4.42Å; F81-W115 VanDerWaalsContact CA-CD1 3.44Å; F81-W115 HydrophobicContact CB-CB 4.22Å; F81-W115 HydrophobicContact CB-CG 4.19Å; F81-W115 HydrophobicContact CD2-CB 3.76Å; F81-W115 HydrophobicContact CD2-CG 4.02Å; F81-W115 HydrophobicContact CG-CB 4.39Å; F81-E116 HydrophobicContact CB-CG 4.42Å; F81-E116 PolarHBondContact N-OE1 2.83Å; F81-E116 VanDerWaalsContact N-OE1 3.17Å; F81-F135 HydrophobicContact CD2-CE2 4.03Å; F81-F135 HydrophobicContact CD2-CZ 4.33Å; F81-F135 AromaticContact CE2-CE2 3.65Å; F81-F135 HydrophobicContact CE2-CE2 3.65Å; F81-F135 AromaticContact CE2-CZ 3.95Å; F81-F135 HydrophobicContact CE2-CZ 3.95Å | ||
| 82 | N | 98.4 | Very high | 97.4 | Very high | 66 Ų | 66 | 67.9 Ų | 67.9 | 35% | 0.353 | 35% | 0.35 | S | S | . | . | trans | -130.7 | 103.2 | 177.8 | -175.1 | 4.5 | 0 | 0 | 0 | 110.2 | P80 E84 E85 Q131 | P80-N82 PolarHBondContact O-N 3.07Å; N82-E84 PolarHBondContact O-N 3.13Å; N82-E84 VanDerWaalsContact O-N 3.09Å; N82-E84 VanDerWaalsContact OD1-CB 3.27Å; N82-E84 WeakPolarHBondContact OD1-CB 3.4Å; N82-E84 WeakPolarHBondContact OD1-CG 3.39Å; N82-E84 PolarHBondContact OD1-N 2.91Å; N82-E85 HydrophobicContact CB-CG 4.13Å; N82-E85 WeakPolarHBondContact CB-OE1 3.49Å; N82-E85 PolarHBondContact ND2-OE1 2.97Å; N82-E85 PolarHBondContact O-N 2.91Å; N82-Q131 VanDerWaalsContact N-NE2 3.19Å | ||
| 83 | L | 97.9 | Very high | 97.6 | Very high | 56 Ų | 56 | 67.6 Ų | 67.6 | 29% | 0.293 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -57 | -28.7 | -179.4 | -171.1 | 65.5 | 0 | 0 | 0 | 112.9 | F81 E85 I86 K87 L90 W111 | F81-L83 HydrophobicContact CE1-CB 3.9Å; F81-L83 HydrophobicContact CE1-CD1 3.98Å; F81-L83 HydrophobicContact CZ-CB 4.23Å; F81-L83 HydrophobicContact CZ-CD1 3.81Å; L83-E85 VanDerWaalsContact C-N 3.26Å; L83-E85 PolarHBondContact O-N 3.16Å; L83-I86 HydrophobicContact CD1-CD1 4.25Å; L83-I86 HydrophobicContact CD1-CG1 4.22Å; L83-I86 WeakPolarHBondContact O-CG1 3.08Å; L83-I86 PolarHBondContact O-N 3.25Å; L83-K87 PolarHBondContact O-N 2.89Å; L83-L90 HydrophobicContact CD1-CD2 3.64Å; L83-L90 HydrophobicContact CG-CD2 4.46Å; L83-W111 HydrophobicContact CD1-CE3 4Å; L83-W111 HydrophobicContact CD1-CZ3 4.07Å |
| 84 | E | 98.4 | Very high | 97.7 | Very high | 109 Ų | 109 | 70.1 Ų | 70.1 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -62.3 | -32.8 | 179.6 | -61.4 | -67.6 | 128.5 | 0 | 0 | 112.6 | N82 I86 K87 | N82-E84 PolarHBondContact O-N 3.13Å; N82-E84 VanDerWaalsContact O-N 3.09Å; N82-E84 VanDerWaalsContact OD1-CB 3.27Å; N82-E84 WeakPolarHBondContact OD1-CB 3.4Å; N82-E84 WeakPolarHBondContact OD1-CG 3.39Å; N82-E84 PolarHBondContact OD1-N 2.91Å; E84-I86 PolarHBondContact O-N 3Å; E84-K87 WeakPolarHBondContact OE1-CE 3.12Å; E84-K87 IonicContact OE1-NZ 3.49Å; E84-K87 PolarHBondContact OE1-NZ 2.82Å; E84-K87 WeakPolarHBondContact OE2-CD 3.18Å; E84-K87 WeakPolarHBondContact OE2-CE 3.29Å; E84-K87 IonicContact OE2-NZ 3.75Å; E84-K87 PolarHBondContact OE2-NZ 3.39Å |
| 85 | E | 98.4 | Very high | 97.7 | Very high | 71 Ų | 71 | 70.3 Ų | 70.3 | 33% | 0.332 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -70.5 | -19.5 | -178.8 | -69.3 | -178.4 | -135.7 | 0 | 0 | 113.2 | N82 L83 Q131 | N82-E85 HydrophobicContact CB-CG 4.13Å; N82-E85 WeakPolarHBondContact CB-OE1 3.49Å; N82-E85 PolarHBondContact ND2-OE1 2.97Å; N82-E85 PolarHBondContact O-N 2.91Å; L83-E85 VanDerWaalsContact C-N 3.26Å; L83-E85 PolarHBondContact O-N 3.16Å; E85-Q131 HydrophobicContact CB-CB 4.19Å; E85-Q131 PolarHBondContact OE1-NE2 3.32Å; E85-Q131 WeakPolarHBondContact OE2-CG 3.09Å |
| 86 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -117.7 | 16.2 | -176.7 | 68.5 | 161.9 | 0 | 0 | 0 | 113.1 | F81 L83 E84 D88 L89 L90 M93 W111 Q131 F135 | F81-I86 HydrophobicContact CE2-CD1 3.88Å; F81-I86 HydrophobicContact CE2-CG1 4.42Å; F81-I86 HydrophobicContact CZ-CD1 3.76Å; F81-I86 HydrophobicContact CZ-CG1 4.28Å; L83-I86 HydrophobicContact CD1-CD1 4.25Å; L83-I86 HydrophobicContact CD1-CG1 4.22Å; L83-I86 WeakPolarHBondContact O-CG1 3.08Å; L83-I86 PolarHBondContact O-N 3.25Å; E84-I86 PolarHBondContact O-N 3Å; I86-D88 PolarHBondContact O-N 3.25Å; I86-D88 VanDerWaalsContact O-N 3.15Å; I86-L89 HydrophobicContact CB-CB 4.49Å; I86-L89 HydrophobicContact CB-CD1 4.36Å; I86-L89 HydrophobicContact CG2-CD1 4.48Å; I86-L89 WeakPolarHBondContact O-CB 3.48Å; I86-L89 PolarHBondContact O-N 2.03Å; I86-L90 HydrophobicContact CD1-CD2 4.29Å; I86-L90 HydrophobicContact CG1-CD2 4.27Å; I86-L90 PolarHBondContact O-N 2.95Å; I86-M93 HydrophobicContact CD1-CE 4.44Å; I86-W111 HydrophobicContact CD1-CE3 4.47Å; I86-Q131 HydrophobicContact CG2-CB 4.18Å; I86-F135 HydrophobicContact CD1-CD2 4.24Å; I86-F135 HydrophobicContact CD1-CE2 4.48Å; I86-F135 HydrophobicContact CD1-CG 4.46Å; I86-F135 HydrophobicContact CG2-CB 4.32Å; I86-F135 HydrophobicContact CG2-CD2 3.71Å; I86-F135 HydrophobicContact CG2-CE2 4.49Å; I86-F135 HydrophobicContact CG2-CG 4.32Å |
| 87 | K | 97.9 | Very high | 97.8 | Very high | 108 Ų | 108 | 70 Ų | 70 | 47% | 0.47 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -52.9 | -38 | -175 | -96.1 | -179.9 | 163.6 | 177.4 | 0 | 114 | L83 E84 L89 L90 | L83-K87 PolarHBondContact O-N 2.89Å; E84-K87 WeakPolarHBondContact OE1-CE 3.12Å; E84-K87 IonicContact OE1-NZ 3.49Å; E84-K87 PolarHBondContact OE1-NZ 2.82Å; E84-K87 WeakPolarHBondContact OE2-CD 3.18Å; E84-K87 WeakPolarHBondContact OE2-CE 3.29Å; E84-K87 IonicContact OE2-NZ 3.75Å; E84-K87 PolarHBondContact OE2-NZ 3.39Å; K87-L89 VanDerWaalsContact C-N 3.32Å; K87-L90 HydrophobicContact CG-CD1 4.27Å; K87-L90 WeakPolarHBondContact O-CB 3.48Å; K87-L90 WeakPolarHBondContact O-CG 3.35Å; K87-L90 PolarHBondContact O-N 2.79Å |
| 88 | D | 98.3 | Very high | 97.8 | Very high | 93 Ų | 93 | 58.6 Ų | 58.6 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -73.7 | -22.9 | 179.2 | 60 | -37.5 | 0 | 0 | 0 | 113.4 | I86 K132 | I86-D88 PolarHBondContact O-N 3.25Å; I86-D88 VanDerWaalsContact O-N 3.15Å; D88-K132 VanDerWaalsContact CG-NZ 3.33Å; D88-K132 WeakPolarHBondContact OD1-CE 3.33Å; D88-K132 IonicContact OD1-NZ 2.74Å; D88-K132 PolarHBondContact OD1-NZ 3.43Å; D88-K132 WeakPolarHBondContact OD2-CE 3.4Å; D88-K132 IonicContact OD2-NZ 3.67Å; D88-K132 PolarHBondContact OD2-NZ 3.12Å |
| 89 | L | 98.7 | Very high | 97.5 | Very high | 20 Ų | 20 | 53.2 Ų | 53.2 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -85.2 | -12.2 | 176.5 | -54.7 | -179.4 | 0 | 0 | 0 | 112.9 | I86 K87 E92 M93 K132 F135 L139 | I86-L89 HydrophobicContact CB-CB 4.49Å; I86-L89 HydrophobicContact CB-CD1 4.36Å; I86-L89 HydrophobicContact CG2-CD1 4.48Å; I86-L89 WeakPolarHBondContact O-CB 3.48Å; I86-L89 PolarHBondContact O-N 2.03Å; K87-L89 VanDerWaalsContact C-N 3.32Å; L89-E92 PolarHBondContact O-N 2.76Å; L89-M93 HydrophobicContact CB-CG 4.02Å; L89-M93 VanDerWaalsContact O-CG 3.31Å; L89-M93 WeakPolarHBondContact O-CG 3.22Å; L89-M93 PolarHBondContact O-N 3.47Å; L89-K132 HydrophobicContact CD1-CG 4.37Å; L89-F135 HydrophobicContact CD1-CB 3.92Å; L89-L139 HydrophobicContact CB-CD1 4.11Å; L89-L139 HydrophobicContact CD1-CD1 4.46Å; L89-L139 HydrophobicContact CD2-CD1 4.39Å |
| 90 | L | 97.8 | Very high | 97.1 | Very high | 32 Ų | 32 | 49.5 Ų | 49.5 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -54.3 | -37.6 | -172.6 | -65.5 | 179.9 | 0 | 0 | 0 | 115.4 | L83 I86 K87 E92 K94 W111 | L83-L90 HydrophobicContact CD1-CD2 3.64Å; L83-L90 HydrophobicContact CG-CD2 4.46Å; I86-L90 HydrophobicContact CD1-CD2 4.29Å; I86-L90 HydrophobicContact CG1-CD2 4.27Å; I86-L90 PolarHBondContact O-N 2.95Å; K87-L90 HydrophobicContact CG-CD1 4.27Å; K87-L90 WeakPolarHBondContact O-CB 3.48Å; K87-L90 WeakPolarHBondContact O-CG 3.35Å; K87-L90 PolarHBondContact O-N 2.79Å; L90-E92 VanDerWaalsContact C-N 3.34Å; L90-K94 VanDerWaalsContact O-CB 3.29Å; L90-K94 WeakPolarHBondContact O-CB 3.45Å; L90-K94 WeakPolarHBondContact O-CG 3.34Å; L90-K94 PolarHBondContact O-N 3.28Å; L90-W111 HydrophobicContact CD2-CE3 4.4Å; L90-W111 HydrophobicContact CD2-CH2 4.28Å; L90-W111 HydrophobicContact CD2-CZ3 3.69Å |
| 91 | P | 97.9 | Very high | 96.4 | Very high | 93 Ų | 93 | 46.4 Ų | 46.4 | 60% | 0.604 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -59.4 | -45.4 | 175.2 | -24.5 | 35.9 | 0 | 0 | 0 | 112.3 | K94 A95 | P91-K94 PolarHBondContact O-N 3.29Å; P91-A95 PolarHBondContact O-N 3.08Å |
| 92 | E | 98.3 | Very high | 95.5 | Very high | 62 Ų | 62 | 48.1 Ų | 48.1 | 29% | 0.29 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -72.9 | -41.9 | 179.1 | -64 | -166.4 | -95.8 | 0 | 0 | 111.8 | L89 L90 K94 A95 Y96 L139 R143 | L89-E92 PolarHBondContact O-N 2.76Å; L90-E92 VanDerWaalsContact C-N 3.34Å; E92-K94 PolarHBondContact O-N 3.42Å; E92-A95 PolarHBondContact O-N 3.35Å; E92-Y96 HydrophobicContact CB-CD2 4.23Å; E92-Y96 PolarHBondContact O-N 3.43Å; E92-L139 HydrophobicContact CB-CD1 3.83Å; E92-L139 HydrophobicContact CB-CD2 4.02Å; E92-R143 IonicContact OE1-NH1 3.25Å; E92-R143 IonicContact OE2-CZ 3.73Å; E92-R143 IonicContact OE2-NH1 3.32Å; E92-R143 PolarHBondContact OE2-NH1 2.77Å |
| 93 | M | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56 | -39.9 | 174.3 | -67.5 | -64.8 | -65.4 | 0 | 0 | 111.4 | I86 L89 A95 W97 W111 F135 L139 | I86-M93 HydrophobicContact CD1-CE 4.44Å; L89-M93 HydrophobicContact CB-CG 4.02Å; L89-M93 VanDerWaalsContact O-CG 3.31Å; L89-M93 WeakPolarHBondContact O-CG 3.22Å; L89-M93 PolarHBondContact O-N 3.47Å; M93-A95 VanDerWaalsContact C-N 3.32Å; M93-A95 PolarHBondContact O-N 3.34Å; M93-W97 HydrophobicContact CE-CB 4.2Å; M93-W97 HydrophobicContact CE-CD2 3.94Å; M93-W97 HydrophobicContact CE-CE3 3.65Å; M93-W97 HydrophobicContact CE-CG 4.19Å; M93-W97 HydrophobicContact CE-CZ3 4.35Å; M93-W97 CarbonylContact O-C 3.39Å; M93-W97 VanDerWaalsContact O-CA 3.26Å; M93-W97 WeakPolarHBondContact O-CA 3.3Å; M93-W97 WeakPolarHBondContact O-CB 3.32Å; M93-W97 PolarHBondContact O-N 3.45Å; M93-W97 HydrophobicContact SD-CB 4.46Å; M93-W97 HydrophobicContact SD-CE3 3.85Å; M93-W111 HydrophobicContact CB-CH2 4.01Å; M93-W111 HydrophobicContact CB-CZ2 3.7Å; M93-W111 HydrophobicContact CE-CB 4.3Å; M93-W111 VanDerWaalsContact CE-CD1 3.46Å; M93-W111 HydrophobicContact CE-CD2 3.85Å; M93-W111 HydrophobicContact CE-CG 3.62Å; M93-F135 HydrophobicContact CE-CD1 3.28Å; M93-F135 HydrophobicContact CE-CE1 3.62Å; M93-F135 HydrophobicContact CE-CG 4.1Å; M93-F135 HydrophobicContact SD-CB 4.13Å; M93-F135 HydrophobicContact SD-CD1 3.87Å; M93-F135 HydrophobicContact SD-CG 4.32Å; M93-L139 HydrophobicContact CG-CD1 4.24Å; M93-L139 HydrophobicContact SD-CD1 3.85Å; M93-L139 HydrophobicContact SD-CD2 4.22Å; M93-L139 HydrophobicContact SD-CG 4.11Å |
| 94 | K | 95.6 | Very high | 93.3 | Very high | 111 Ų | 111 | 45 Ų | 45 | 48% | 0.483 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.3 | -28 | 177.5 | -77.8 | 176.4 | -175.4 | 178.9 | 0 | 113.8 | L90 P91 E92 R107 W111 | L90-K94 VanDerWaalsContact O-CB 3.29Å; L90-K94 WeakPolarHBondContact O-CB 3.45Å; L90-K94 WeakPolarHBondContact O-CG 3.34Å; L90-K94 PolarHBondContact O-N 3.28Å; P91-K94 PolarHBondContact O-N 3.29Å; E92-K94 PolarHBondContact O-N 3.42Å; K94-R107 VanDerWaalsContact CB-NH1 3.26Å; K94-R107 PolarHBondContact O-NH1 2.82Å; K94-W111 HydrophobicContact CG-CH2 4.01Å; K94-W111 HydrophobicContact CG-CZ2 4.45Å |
| 95 | A | 96.3 | Very high | 92.3 | Very high | 34 Ų | 34 | 45.2 Ų | 45.2 | 28% | 0.281 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -89 | -48.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y61 P91 E92 M93 | Y61-A95 WeakPolarHBondContact CE2-O 3.31Å; Y61-A95 PolarHBondContact OH-O 2.93Å; Y61-A95 VanDerWaalsContact OH-O 3.08Å; P91-A95 PolarHBondContact O-N 3.08Å; E92-A95 PolarHBondContact O-N 3.35Å; M93-A95 VanDerWaalsContact C-N 3.32Å; M93-A95 PolarHBondContact O-N 3.34Å |
| 96 | Y | 98.3 | Very high | 91.7 | Very high | 78 Ų | 78 | 46 Ų | 46 | 31% | 0.306 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -102 | -16.8 | -169.9 | -55.6 | -42 | 0 | 0 | 0 | 113.8 | Y61 T63 I64 E92 L139 Y142 | Y61-Y96 HydrophobicContact CE2-CD1 4.39Å; T63-Y96 WeakPolarHBondContact CB-O 3.37Å; I64-Y96 WeakPolarHBondContact CB-O 3.42Å; I64-Y96 WeakPolarHBondContact CG1-O 3.44Å; I64-Y96 PolarHBondContact N-O 3.14Å; E92-Y96 HydrophobicContact CB-CD2 4.23Å; E92-Y96 PolarHBondContact O-N 3.43Å; Y96-L139 HydrophobicContact CD2-CD2 4.29Å; Y96-Y142 HydrophobicContact CD1-CD1 4.29Å; Y96-Y142 AromaticContact CD1-CE1 3.4Å; Y96-Y142 HydrophobicContact CD1-CE1 3.4Å; Y96-Y142 VanDerWaalsContact CD1-CE1 3.4Å; Y96-Y142 AromaticContact CD1-CZ 3.97Å; Y96-Y142 HydrophobicContact CD2-CD1 4.17Å; Y96-Y142 HydrophobicContact CD2-CE1 4.05Å; Y96-Y142 AromaticContact CE1-CE1 3.99Å; Y96-Y142 HydrophobicContact CE1-CE1 3.99Å; Y96-Y142 AromaticContact CG-CD1 3.87Å; Y96-Y142 HydrophobicContact CG-CD1 3.87Å; Y96-Y142 AromaticContact CG-CE1 3.44Å; Y96-Y142 HydrophobicContact CG-CE1 3.44Å; Y96-Y142 VanDerWaalsContact CG-CE1 3.44Å |
| 97 | W | 97.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -128.1 | 49.9 | 178.7 | -153.7 | -20.1 | 0 | 0 | 0 | 113 | I64 H65 M93 F110 W111 E114 Y134 F135 S138 | I64-W97 HydrophobicContact CB-CB 4.1Å; I64-W97 HydrophobicContact CB-CD2 3.86Å; I64-W97 HydrophobicContact CB-CE3 4.3Å; I64-W97 HydrophobicContact CB-CG 3.76Å; I64-W97 HydrophobicContact CD1-CB 4.4Å; I64-W97 HydrophobicContact CD1-CD2 4.39Å; I64-W97 HydrophobicContact CD1-CE3 4.05Å; I64-W97 HydrophobicContact CG2-CD2 3.48Å; I64-W97 VanDerWaalsContact CG2-CD2 3.48Å; I64-W97 HydrophobicContact CG2-CE3 3.77Å; I64-W97 HydrophobicContact CG2-CG 3.93Å; I64-W97 HydrophobicContact CG2-CH2 4.15Å; I64-W97 HydrophobicContact CG2-CZ2 3.91Å; I64-W97 HydrophobicContact CG2-CZ3 4.08Å; I64-W97 PolarHBondContact O-NE1 3.28Å; H65-W97 WeakPolarHBondContact O-CZ2 3.42Å; H65-W97 PolarHBondContact O-NE1 3.26Å; M93-W97 HydrophobicContact CE-CB 4.2Å; M93-W97 HydrophobicContact CE-CD2 3.94Å; M93-W97 HydrophobicContact CE-CE3 3.65Å; M93-W97 HydrophobicContact CE-CG 4.19Å; M93-W97 HydrophobicContact CE-CZ3 4.35Å; M93-W97 CarbonylContact O-C 3.39Å; M93-W97 VanDerWaalsContact O-CA 3.26Å; M93-W97 WeakPolarHBondContact O-CA 3.3Å; M93-W97 WeakPolarHBondContact O-CB 3.32Å; M93-W97 PolarHBondContact O-N 3.45Å; M93-W97 HydrophobicContact SD-CB 4.46Å; M93-W97 HydrophobicContact SD-CE3 3.85Å; W97-F110 AromaticContact CD1-CE1 3.44Å; W97-F110 VanDerWaalsContact CD1-CE1 3.44Å; W97-F110 AromaticContact NE1-CE1 3.44Å; W97-F110 AromaticContact NE1-CZ 3.8Å; W97-W111 PolarHBondContact O-NE1 2.88Å; W97-E114 HydrophobicContact CZ2-CB 3.96Å; W97-E114 HydrophobicContact CZ2-CG 3.83Å; W97-Y134 HydrophobicContact CH2-CE1 4.05Å; W97-F135 AromaticContact CE3-CD1 3.99Å; W97-F135 HydrophobicContact CE3-CD1 3.99Å; W97-F135 HydrophobicContact CE3-CE1 4.42Å; W97-F135 AromaticContact CH2-CD1 3.94Å; W97-F135 HydrophobicContact CH2-CD1 3.94Å; W97-F135 AromaticContact CH2-CE1 3.95Å; W97-F135 HydrophobicContact CH2-CE1 3.95Å; W97-F135 HydrophobicContact CZ2-CE1 4.4Å; W97-F135 AromaticContact CZ3-CD1 3.5Å; W97-F135 HydrophobicContact CZ3-CD1 3.5Å; W97-F135 VanDerWaalsContact CZ3-CD1 3.5Å; W97-F135 AromaticContact CZ3-CE1 3.94Å; W97-F135 HydrophobicContact CZ3-CE1 3.94Å; W97-S138 VanDerWaalsContact CZ3-CB 3.44Å |
| 98 | P | 95.2 | Very high | 90.8 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | trans | -67.2 | 164 | 177.7 | 31.7 | -36.7 | 0 | 0 | 0 | 112.8 | D54 P59 T63 V100 F110 | D54-P98 HydrophobicContact CB-CB 4.12Å; P59-P98 HydrophobicContact CG-CG 4.17Å; T63-P98 HydrophobicContact CG2-CG 3.73Å; P98-V100 HydrophobicContact CB-CG1 4.11Å; P98-V100 HydrophobicContact CG-CG1 3.81Å; P98-V100 PolarHBondContact O-N 2.89Å; P98-F110 WeakPolarHBondContact O-CE1 2.98Å | ||
| 99 | D | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -90 | 81.1 | 173.5 | 178.6 | 8.5 | 0 | 0 | 0 | 109.8 | D54 I101 H102 S103 F104 F110 | D54-D99 PolarHBondContact OD2-N 2.99Å; D54-D99 VanDerWaalsContact OD2-N 3.09Å; D99-I101 VanDerWaalsContact C-N 3.33Å; D99-I101 PolarHBondContact OD1-N 3.48Å; D99-H102 PolarHBondContact OD1-N 2.89Å; D99-H102 IonicContact OD1-ND1 3.73Å; D99-S103 VanDerWaalsContact CG-N 3.3Å; D99-S103 WeakPolarHBondContact O-CA 3.32Å; D99-S103 PolarHBondContact O-N 2.8Å; D99-S103 PolarHBondContact O-OG 3.39Å; D99-S103 VanDerWaalsContact O-OG 3.06Å; D99-S103 PolarHBondContact OD1-N 2.94Å; D99-S103 VanDerWaalsContact OD1-N 3.07Å; D99-S103 PolarHBondContact OD2-N 2.88Å; D99-F104 WeakPolarHBondContact OD2-CD2 3.41Å; D99-F104 PolarHBondContact OD2-N 2.93Å; D99-F110 HydrophobicContact CB-CB 3.89Å; D99-F110 HydrophobicContact CB-CD1 4.13Å; D99-F110 HydrophobicContact CB-CG 4.26Å | ||
| 100 | V | 90 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -93.5 | 12.3 | 178.8 | -63.8 | 0 | 0 | 0 | 0 | 113 | H42 P44 V47 C48 D54 C55 P59 P98 | H42-V100 WeakPolarHBondContact CE1-CG2 3.26Å; H42-V100 WeakPolarHBondContact NE2-CG2 3.38Å; P44-V100 HydrophobicContact CB-CB 4.1Å; P44-V100 HydrophobicContact CB-CG1 3.92Å; P44-V100 HydrophobicContact CB-CG2 4.29Å; P44-V100 HydrophobicContact CG-CG1 4.18Å; P44-V100 HydrophobicContact CG-CG2 4.29Å; V47-V100 CarbonylContact C-O 3.08Å; V47-V100 HydrophobicContact CG2-CG2 3.89Å; C48-V100 WeakPolarHBondContact CA-O 3.39Å; C48-V100 PolarHBondContact N-O 3.33Å; D54-V100 HydrophobicContact CB-CG1 4.2Å; C55-V100 VanDerWaalsContact SG-C 3.57Å; C55-V100 VanDerWaalsContact SG-CA 3.53Å; C55-V100 PolarHBondContact SG-O 3.02Å; P59-V100 HydrophobicContact CG-CG1 4.45Å; P98-V100 HydrophobicContact CB-CG1 4.11Å; P98-V100 HydrophobicContact CG-CG1 3.81Å; P98-V100 PolarHBondContact O-N 2.89Å | ||
| 101 | I | 83.4 | Confident | 90.4 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.051 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -113.2 | -46.5 | -179.3 | -37.7 | -177.9 | 0 | 0 | 0 | 111.5 | H65 D99 F110 R236 | H65-I101 VanDerWaalsContact CE1-CD1 3.47Å; H65-I101 WeakPolarHBondContact CE1-CD1 3.24Å; H65-I101 WeakPolarHBondContact NE2-CD1 3.26Å; D99-I101 VanDerWaalsContact C-N 3.33Å; D99-I101 PolarHBondContact OD1-N 3.48Å; I101-F110 HydrophobicContact CD1-CE2 4.29Å; I101-F110 HydrophobicContact CD1-CZ 4.24Å; I101-R236 VanDerWaalsContact CG2-CZ 3.45Å; I101-R236 PolarHBondContact O-NH1 3.36Å; I101-R236 PolarHBondContact O-NH2 2.88Å |
| 102 | H | 78.8 | Confident | 90.4 | Very high | 64 Ų | 64 | 45.2 Ų | 45.2 | 30% | 0.296 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -100.2 | -28.8 | 174.3 | -54.6 | 88.1 | 0 | 0 | 0 | 111.6 | D99 F104 R236 | D99-H102 PolarHBondContact OD1-N 2.89Å; D99-H102 IonicContact OD1-ND1 3.73Å; H102-F104 VanDerWaalsContact C-N 3.28Å; H102-F104 HydrophobicContact CB-CD1 4.35Å; H102-F104 HydrophobicContact CB-CD2 3.45Å; H102-F104 VanDerWaalsContact CB-CD2 3.45Å; H102-F104 HydrophobicContact CB-CE1 4.18Å; H102-F104 HydrophobicContact CB-CE2 3.24Å; H102-F104 HydrophobicContact CB-CG 4.02Å; H102-F104 HydrophobicContact CB-CZ 3.64Å; H102-F104 AromaticContact CD2-CE2 3.63Å; H102-F104 AromaticContact CD2-CZ 3.71Å; H102-F104 AromaticContact CG-CE2 3.38Å; H102-F104 AromaticContact CG-CZ 3.83Å; H102-F104 PolarHBondContact O-N 2.76Å; H102-R236 PolarHBondContact CD2-NH1 3.07Å; H102-R236 PolarHBondContact CE1-NH1 3.09Å; H102-R236 VanDerWaalsContact CG-NH1 3.3Å; H102-R236 PolarHBondContact ND1-NH1 3.27Å; H102-R236 PolarHBondContact NE2-NH1 3.49Å |
| 103 | S | 74.1 | Confident | 90.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | 49.5 | 51.3 | -173.7 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | Q52 N53 C55 D99 | Q52-S103 PolarHBondContact NE2-O 2.91Å; Q52-S103 VanDerWaalsContact O-CB 3.3Å; Q52-S103 WeakPolarHBondContact O-CB 3.42Å; N53-S103 PolarHBondContact ND2-O 2.65Å; C55-S103 VanDerWaalsContact CB-OG 3.28Å; C55-S103 WeakPolarHBondContact CB-OG 3.44Å; C55-S103 PolarHBondContact SG-OG 3.01Å; D99-S103 VanDerWaalsContact CG-N 3.3Å; D99-S103 WeakPolarHBondContact O-CA 3.32Å; D99-S103 PolarHBondContact O-N 2.8Å; D99-S103 PolarHBondContact O-OG 3.39Å; D99-S103 VanDerWaalsContact O-OG 3.06Å; D99-S103 PolarHBondContact OD1-N 2.94Å; D99-S103 VanDerWaalsContact OD1-N 3.07Å; D99-S103 PolarHBondContact OD2-N 2.88Å | ||
| 104 | F | 77.2 | Confident | 90.3 | Very high | 58 Ų | 58 | 46.3 Ų | 46.3 | 25% | 0.254 | 22% | 0.221 | S | C | . | . | trans | -66.9 | 146.9 | 172.1 | -67.1 | -57.9 | 0 | 0 | 0 | 110.2 | D99 H102 N106 R109 | D99-F104 WeakPolarHBondContact OD2-CD2 3.41Å; D99-F104 PolarHBondContact OD2-N 2.93Å; H102-F104 VanDerWaalsContact C-N 3.28Å; H102-F104 HydrophobicContact CB-CD1 4.35Å; H102-F104 HydrophobicContact CB-CD2 3.45Å; H102-F104 VanDerWaalsContact CB-CD2 3.45Å; H102-F104 HydrophobicContact CB-CE1 4.18Å; H102-F104 HydrophobicContact CB-CE2 3.24Å; H102-F104 HydrophobicContact CB-CG 4.02Å; H102-F104 HydrophobicContact CB-CZ 3.64Å; H102-F104 AromaticContact CD2-CE2 3.63Å; H102-F104 AromaticContact CD2-CZ 3.71Å; H102-F104 AromaticContact CG-CE2 3.38Å; H102-F104 AromaticContact CG-CZ 3.83Å; H102-F104 PolarHBondContact O-N 2.76Å; F104-N106 PolarHBondContact O-N 3.1Å; F104-N106 VanDerWaalsContact O-N 3.14Å; F104-R109 HydrophobicContact CD2-CB 4.09Å | ||
| 105 | P | 76.6 | Confident | 90.5 | Very high | 113 Ų | 113 | 41 Ų | 41 | 73% | 0.734 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -58 | -28.9 | 172.7 | -25 | 33.6 | 0 | 0 | 0 | 113 | ||
| 106 | N | 85.8 | Confident | 90.6 | Very high | 86 Ų | 86 | 42.3 Ų | 42.3 | 46% | 0.46 | 20% | 0.198 | S | C | . | . | trans | -104.8 | 96 | 175.5 | -178.2 | 8.8 | 0 | 0 | 0 | 110.8 | F104 S108 R109 | F104-N106 PolarHBondContact O-N 3.1Å; F104-N106 VanDerWaalsContact O-N 3.14Å; N106-S108 VanDerWaalsContact CG-OG 3.23Å; N106-S108 PolarHBondContact ND2-OG 2.84Å; N106-S108 PolarHBondContact O-N 2.71Å; N106-S108 VanDerWaalsContact O-N 3.13Å; N106-S108 WeakPolarHBondContact OD1-CB 3.23Å; N106-S108 PolarHBondContact OD1-N 3.22Å; N106-S108 PolarHBondContact OD1-OG 3.21Å; N106-R109 HydrophobicContact CB-CG 4.35Å; N106-R109 WeakPolarHBondContact O-CB 3.24Å; N106-R109 WeakPolarHBondContact O-CG 3.21Å; N106-R109 PolarHBondContact O-N 2.98Å; N106-R109 VanDerWaalsContact O-N 3.1Å | ||
| 107 | R | 86.1 | Confident | 90.5 | Very high | 77 Ų | 77 | 40.1 Ų | 40.1 | 29% | 0.291 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -29.3 | 178.7 | -60.2 | -176.6 | -166.8 | 170 | 5.5 | 114 | D54 K94 R109 F110 W111 | D54-R107 IonicContact OD1-CZ 2.65Å; D54-R107 IonicContact OD1-NE 2.81Å; D54-R107 PolarHBondContact OD1-NE 3.08Å; D54-R107 IonicContact OD1-NH2 3.52Å; D54-R107 PolarHBondContact OD1-NH2 3.41Å; D54-R107 VanDerWaalsContact OD2-CD 3.3Å; D54-R107 WeakPolarHBondContact OD2-CD 3.23Å; D54-R107 IonicContact OD2-CZ 3.84Å; D54-R107 IonicContact OD2-NE 2.7Å; D54-R107 PolarHBondContact OD2-NE 3.21Å; K94-R107 VanDerWaalsContact CB-NH1 3.26Å; K94-R107 PolarHBondContact O-NH1 2.82Å; R107-R109 PolarHBondContact O-N 2.99Å; R107-F110 WeakPolarHBondContact O-CB 3.38Å; R107-F110 PolarHBondContact O-N 2.77Å; R107-W111 HydrophobicContact CB-CH2 3.99Å; R107-W111 HydrophobicContact CB-CZ2 3.94Å; R107-W111 HydrophobicContact CB-CZ3 4.48Å |
| 108 | S | 92.1 | Very high | 90.5 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 13% | 0.133 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.8 | -15.7 | -179.6 | 67.8 | 0 | 0 | 0 | 0 | 113.5 | N106 F110 K112 | N106-S108 VanDerWaalsContact CG-OG 3.23Å; N106-S108 PolarHBondContact ND2-OG 2.84Å; N106-S108 PolarHBondContact O-N 2.71Å; N106-S108 VanDerWaalsContact O-N 3.13Å; N106-S108 WeakPolarHBondContact OD1-CB 3.23Å; N106-S108 PolarHBondContact OD1-N 3.22Å; N106-S108 PolarHBondContact OD1-OG 3.21Å; S108-F110 VanDerWaalsContact C-N 3.33Å; S108-K112 WeakPolarHBondContact O-CB 3.28Å; S108-K112 PolarHBondContact O-N 3.21Å |
| 109 | R | 93.7 | Very high | 90.7 | Very high | 138 Ų | 138 | 40.2 Ų | 40.2 | 52% | 0.521 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.5 | -38.1 | 170.7 | -66.5 | -173.3 | 69.4 | 175.7 | 0.6 | 112.4 | F104 N106 R107 H113 | F104-R109 HydrophobicContact CD2-CB 4.09Å; N106-R109 HydrophobicContact CB-CG 4.35Å; N106-R109 WeakPolarHBondContact O-CB 3.24Å; N106-R109 WeakPolarHBondContact O-CG 3.21Å; N106-R109 PolarHBondContact O-N 2.98Å; N106-R109 VanDerWaalsContact O-N 3.1Å; R107-R109 PolarHBondContact O-N 2.99Å; R109-H113 PolarHBondContact O-N 3.1Å; R109-H113 VanDerWaalsContact O-N 3.08Å |
| 110 | F | 94.6 | Very high | 91 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.013 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.9 | -48 | 177.6 | 179.1 | -136.5 | 0 | 0 | 0 | 110.5 | H65 W97 P98 D99 I101 R107 S108 K112 H113 E114 | H65-F110 AromaticContact CD2-CE2 3.98Å; H65-F110 AromaticContact CD2-CZ 3.68Å; H65-F110 WeakPolarHBondContact O-CZ 3.16Å; W97-F110 AromaticContact CD1-CE1 3.44Å; W97-F110 VanDerWaalsContact CD1-CE1 3.44Å; W97-F110 AromaticContact NE1-CE1 3.44Å; W97-F110 AromaticContact NE1-CZ 3.8Å; P98-F110 WeakPolarHBondContact O-CE1 2.98Å; D99-F110 HydrophobicContact CB-CB 3.89Å; D99-F110 HydrophobicContact CB-CD1 4.13Å; D99-F110 HydrophobicContact CB-CG 4.26Å; I101-F110 HydrophobicContact CD1-CE2 4.29Å; I101-F110 HydrophobicContact CD1-CZ 4.24Å; R107-F110 WeakPolarHBondContact O-CB 3.38Å; R107-F110 PolarHBondContact O-N 2.77Å; S108-F110 VanDerWaalsContact C-N 3.33Å; F110-K112 VanDerWaalsContact C-N 3.27Å; F110-K112 PolarHBondContact O-N 3.03Å; F110-H113 WeakPolarHBondContact O-CA 3.48Å; F110-H113 VanDerWaalsContact O-CB 3.3Å; F110-H113 WeakPolarHBondContact O-CB 3.06Å; F110-H113 PolarHBondContact O-N 3.42Å; F110-E114 HydrophobicContact CD2-CG 4.19Å; F110-E114 HydrophobicContact CE2-CG 3.83Å; F110-E114 WeakPolarHBondContact CE2-OE1 3.23Å; F110-E114 HydrophobicContact CZ-CG 4.12Å; F110-E114 PolarHBondContact O-N 3.19Å |
| 111 | W | 97.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 2% | 0.023 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -35.4 | 175.9 | -49.8 | -34.6 | 0 | 0 | 0 | 112.8 | F81 L83 I86 L90 M93 K94 W97 R107 H113 E114 W115 F135 | F81-W111 HydrophobicContact CE2-CB 4.26Å; F81-W111 HydrophobicContact CZ-CB 4.03Å; L83-W111 HydrophobicContact CD1-CE3 4Å; L83-W111 HydrophobicContact CD1-CZ3 4.07Å; I86-W111 HydrophobicContact CD1-CE3 4.47Å; L90-W111 HydrophobicContact CD2-CE3 4.4Å; L90-W111 HydrophobicContact CD2-CH2 4.28Å; L90-W111 HydrophobicContact CD2-CZ3 3.69Å; M93-W111 HydrophobicContact CB-CH2 4.01Å; M93-W111 HydrophobicContact CB-CZ2 3.7Å; M93-W111 HydrophobicContact CE-CB 4.3Å; M93-W111 VanDerWaalsContact CE-CD1 3.46Å; M93-W111 HydrophobicContact CE-CD2 3.85Å; M93-W111 HydrophobicContact CE-CG 3.62Å; K94-W111 HydrophobicContact CG-CH2 4.01Å; K94-W111 HydrophobicContact CG-CZ2 4.45Å; W97-W111 PolarHBondContact O-NE1 2.88Å; R107-W111 HydrophobicContact CB-CH2 3.99Å; R107-W111 HydrophobicContact CB-CZ2 3.94Å; R107-W111 HydrophobicContact CB-CZ3 4.48Å; W111-H113 VanDerWaalsContact C-N 3.34Å; W111-E114 PolarHBondContact O-N 2.8Å; W111-W115 WeakPolarHBondContact O-CB 3.02Å; W111-W115 PolarHBondContact O-N 2.81Å; W111-F135 HydrophobicContact CB-CE1 4.14Å; W111-F135 HydrophobicContact CB-CZ 4.1Å; W111-F135 WeakPolarHBondContact O-CZ 3.33Å |
| 112 | K | 97.9 | Very high | 92.1 | Very high | 87 Ų | 87 | 40.1 Ų | 40.1 | 38% | 0.378 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58 | -46.7 | 170.5 | 171.1 | 179.1 | 170.5 | 76.4 | 0 | 111.7 | F81 S108 F110 W115 E116 | F81-K112 HydrophobicContact CB-CB 3.87Å; F81-K112 HydrophobicContact CB-CG 3.85Å; F81-K112 HydrophobicContact CD1-CB 3.65Å; F81-K112 HydrophobicContact CD1-CG 4.37Å; F81-K112 HydrophobicContact CE1-CB 4.42Å; F81-K112 HydrophobicContact CG-CB 3.9Å; F81-K112 HydrophobicContact CG-CG 4.42Å; S108-K112 WeakPolarHBondContact O-CB 3.28Å; S108-K112 PolarHBondContact O-N 3.21Å; F110-K112 VanDerWaalsContact C-N 3.27Å; F110-K112 PolarHBondContact O-N 3.03Å; K112-W115 PolarHBondContact O-N 2.03Å; K112-E116 WeakPolarHBondContact CE-OE2 3.22Å; K112-E116 HydrophobicContact CG-CG 4.39Å; K112-E116 VanDerWaalsContact NZ-CD 3.31Å; K112-E116 IonicContact NZ-OE1 2.66Å; K112-E116 PolarHBondContact NZ-OE1 2.79Å; K112-E116 IonicContact NZ-OE2 3.18Å; K112-E116 PolarHBondContact NZ-OE2 2.9Å; K112-E116 WeakPolarHBondContact O-CB 3.31Å; K112-E116 WeakPolarHBondContact O-CG 3.3Å; K112-E116 PolarHBondContact O-N 2.97Å |
| 113 | H | 96 | Very high | 93 | Very high | 85 Ų | 85 | 37.9 Ų | 37.9 | 39% | 0.394 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.8 | -50.7 | 177.3 | 179.6 | 78.8 | 0 | 0 | 0 | 111 | R109 F110 W111 W115 E116 K117 | R109-H113 PolarHBondContact O-N 3.1Å; R109-H113 VanDerWaalsContact O-N 3.08Å; F110-H113 WeakPolarHBondContact O-CA 3.48Å; F110-H113 VanDerWaalsContact O-CB 3.3Å; F110-H113 WeakPolarHBondContact O-CB 3.06Å; F110-H113 PolarHBondContact O-N 3.42Å; W111-H113 VanDerWaalsContact C-N 3.34Å; H113-W115 VanDerWaalsContact C-N 3.33Å; H113-W115 PolarHBondContact O-N 2.77Å; H113-E116 PolarHBondContact O-N 2.96Å; H113-K117 WeakPolarHBondContact O-CB 3.29Å; H113-K117 PolarHBondContact O-N 3.39Å |
| 114 | E | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 179.5 | -68.2 | -57.6 | 124.3 | 0 | 0 | 112.6 | H65 W68 W97 F110 W111 H118 G119 | H65-E114 IonicContact CD2-OE1 2.77Å; W68-E114 PolarHBondContact NE1-OE2 2.9Å; W97-E114 HydrophobicContact CZ2-CB 3.96Å; W97-E114 HydrophobicContact CZ2-CG 3.83Å; F110-E114 HydrophobicContact CD2-CG 4.19Å; F110-E114 HydrophobicContact CE2-CG 3.83Å; F110-E114 WeakPolarHBondContact CE2-OE1 3.23Å; F110-E114 HydrophobicContact CZ-CG 4.12Å; F110-E114 PolarHBondContact O-N 3.19Å; W111-E114 PolarHBondContact O-N 2.8Å; E114-H118 WeakPolarHBondContact O-CA 3.21Å; E114-H118 WeakPolarHBondContact O-CB 3.01Å; E114-H118 PolarHBondContact O-N 3.5Å; E114-H118 IonicContact OE2-CD2 3.93Å; E114-H118 PolarHBondContact OE2-CD2 3.02Å; E114-G119 PolarHBondContact O-N 3.42Å |
| 115 | W | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -65.3 | -54.9 | 175.2 | 172.5 | -103.5 | 0 | 0 | 0 | 112 | W79 F81 W111 K112 H113 K117 G119 T120 A123 Q131 Y134 F135 | W79-W115 HydrophobicContact CD2-CH2 4.35Å; W79-W115 AromaticContact CD2-CZ2 3.58Å; W79-W115 HydrophobicContact CD2-CZ2 3.58Å; W79-W115 AromaticContact CE2-CZ2 3.52Å; W79-W115 HydrophobicContact CE3-CH2 4.35Å; W79-W115 AromaticContact CE3-CZ2 3.88Å; W79-W115 HydrophobicContact CE3-CZ2 3.88Å; W79-W115 HydrophobicContact CG-CZ2 4.06Å; W79-W115 AromaticContact CH2-CH2 3.91Å; W79-W115 HydrophobicContact CH2-CH2 3.91Å; W79-W115 HydrophobicContact CH2-CZ2 4.11Å; W79-W115 AromaticContact CZ2-CH2 3.88Å; W79-W115 HydrophobicContact CZ2-CH2 3.88Å; W79-W115 AromaticContact CZ2-CZ2 3.81Å; W79-W115 HydrophobicContact CZ2-CZ2 3.81Å; W79-W115 HydrophobicContact CZ3-CH2 4.14Å; W79-W115 HydrophobicContact CZ3-CZ2 4.13Å; W79-W115 AromaticContact NE1-CZ2 3.89Å; W79-W115 PolarHBondContact O-NE1 2.83Å; F81-W115 VanDerWaalsContact CA-CD1 3.44Å; F81-W115 HydrophobicContact CB-CB 4.22Å; F81-W115 HydrophobicContact CB-CG 4.19Å; F81-W115 HydrophobicContact CD2-CB 3.76Å; F81-W115 HydrophobicContact CD2-CG 4.02Å; F81-W115 HydrophobicContact CG-CB 4.39Å; W111-W115 WeakPolarHBondContact O-CB 3.02Å; W111-W115 PolarHBondContact O-N 2.81Å; K112-W115 PolarHBondContact O-N 2.03Å; H113-W115 VanDerWaalsContact C-N 3.33Å; H113-W115 PolarHBondContact O-N 2.77Å; W115-K117 VanDerWaalsContact C-N 3.33Å; W115-K117 PolarHBondContact O-N 2.74Å; W115-G119 CarbonylContact O-C 3.45Å; W115-G119 WeakPolarHBondContact O-CA 3.41Å; W115-G119 PolarHBondContact O-N 2.89Å; W115-T120 HydrophobicContact CZ2-CG2 4.24Å; W115-T120 PolarHBondContact O-N 3.24Å; W115-A123 HydrophobicContact CH2-CB 4.44Å; W115-Q131 HydrophobicContact CD2-CB 4.48Å; W115-Q131 HydrophobicContact CD2-CG 3.77Å; W115-Q131 HydrophobicContact CE3-CB 4.27Å; W115-Q131 HydrophobicContact CE3-CG 3.96Å; W115-Q131 HydrophobicContact CH2-CB 4.42Å; W115-Q131 HydrophobicContact CH2-CG 3.72Å; W115-Q131 HydrophobicContact CZ2-CG 3.52Å; W115-Q131 HydrophobicContact CZ3-CB 4.25Å; W115-Q131 HydrophobicContact CZ3-CG 3.94Å; W115-Y134 AromaticContact CE3-CD1 3.9Å; W115-Y134 HydrophobicContact CE3-CD1 3.9Å; W115-Y134 HydrophobicContact CE3-CG 4.24Å; W115-Y134 HydrophobicContact CZ3-CD1 4.26Å; W115-Y134 HydrophobicContact CZ3-CG 4.14Å; W115-F135 HydrophobicContact CB-CE2 4Å; W115-F135 HydrophobicContact CB-CZ 3.88Å; W115-F135 HydrophobicContact CE3-CE2 4.19Å |
| 116 | E | 98.3 | Very high | 96.2 | Very high | 62 Ų | 62 | 39.6 Ų | 39.6 | 29% | 0.29 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -67.3 | -36.8 | -172.3 | -69.1 | 177.5 | 174.6 | 0 | 0 | 111.3 | G74 F81 K112 H113 T120 | G74-E116 WeakPolarHBondContact CA-O 3.43Å; F81-E116 HydrophobicContact CB-CG 4.42Å; F81-E116 PolarHBondContact N-OE1 2.83Å; F81-E116 VanDerWaalsContact N-OE1 3.17Å; K112-E116 WeakPolarHBondContact CE-OE2 3.22Å; K112-E116 HydrophobicContact CG-CG 4.39Å; K112-E116 VanDerWaalsContact NZ-CD 3.31Å; K112-E116 IonicContact NZ-OE1 2.66Å; K112-E116 PolarHBondContact NZ-OE1 2.79Å; K112-E116 IonicContact NZ-OE2 3.18Å; K112-E116 PolarHBondContact NZ-OE2 2.9Å; K112-E116 WeakPolarHBondContact O-CB 3.31Å; K112-E116 WeakPolarHBondContact O-CG 3.3Å; K112-E116 PolarHBondContact O-N 2.97Å; H113-E116 PolarHBondContact O-N 2.96Å; E116-T120 PolarHBondContact O-OG1 2.84Å |
| 117 | K | 96.7 | Very high | 96.8 | Very high | 32 Ų | 32 | 37.5 Ų | 37.5 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -79.9 | -46 | 179 | -166.9 | 171.2 | 171.1 | 173.9 | 0 | 112.4 | E73 G74 H113 W115 E234 | E73-K117 CarbonylContact C-O 3.49Å; E73-K117 WeakPolarHBondContact CA-O 3.44Å; E73-K117 HydrophobicContact CB-CG 4.05Å; E73-K117 HydrophobicContact CG-CG 4.31Å; E73-K117 WeakPolarHBondContact OE1-CE 3.17Å; E73-K117 IonicContact OE1-NZ 2.86Å; E73-K117 PolarHBondContact OE1-NZ 3.1Å; E73-K117 WeakPolarHBondContact OE2-CE 3.45Å; E73-K117 IonicContact OE2-NZ 2.94Å; G74-K117 PolarHBondContact N-O 3.29Å; H113-K117 WeakPolarHBondContact O-CB 3.29Å; H113-K117 PolarHBondContact O-N 3.39Å; W115-K117 VanDerWaalsContact C-N 3.33Å; W115-K117 PolarHBondContact O-N 2.74Å; K117-E234 IonicContact NZ-OE1 3.19Å; K117-E234 PolarHBondContact NZ-OE1 2.99Å; K117-E234 IonicContact NZ-OE2 3.87Å; K117-E234 PolarHBondContact NZ-OE2 2.84Å |
| 118 | H | 98.3 | Very high | 97.4 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 2% | 0.023 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -115.5 | -45.6 | -171 | -55 | -68.2 | 0 | 0 | 0 | 113.6 | W68 E73 E114 T120 C121 A122 | W68-H118 AromaticContact CD1-CD2 3.28Å; W68-H118 AromaticContact CD1-CE1 3.83Å; W68-H118 AromaticContact CD1-CG 3.27Å; W68-H118 AromaticContact CD1-ND1 3.64Å; W68-H118 AromaticContact CD1-NE2 3.69Å; W68-H118 AromaticContact CE2-NE2 3.84Å; W68-H118 HydrophobicContact CG-CB 4.46Å; W68-H118 AromaticContact CG-CE1 3.82Å; W68-H118 AromaticContact CG-CG 3.83Å; W68-H118 AromaticContact CG-ND1 3.7Å; W68-H118 AromaticContact NE1-CD2 3.32Å; W68-H118 PolarHBondContact NE1-CD2 3.36Å; W68-H118 VanDerWaalsContact NE1-CD2 3.32Å; W68-H118 AromaticContact NE1-CG 3.83Å; W68-H118 AromaticContact NE1-NE2 3.53Å; E73-H118 IonicContact OE1-CE1 3.67Å; E73-H118 PolarHBondContact OE1-CE1 2.84Å; E73-H118 IonicContact OE1-ND1 2.92Å; E114-H118 WeakPolarHBondContact O-CA 3.21Å; E114-H118 WeakPolarHBondContact O-CB 3.01Å; E114-H118 PolarHBondContact O-N 3.5Å; E114-H118 IonicContact OE2-CD2 3.93Å; E114-H118 PolarHBondContact OE2-CD2 3.02Å; H118-T120 VanDerWaalsContact C-N 3.34Å; H118-T120 PolarHBondContact O-N 3.36Å; H118-C121 WeakPolarHBondContact O-CB 3.21Å; H118-C121 PolarHBondContact O-N 3.46Å; H118-A122 PolarHBondContact O-N 3.09Å |
| 119 | G | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -58.5 | -40.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E114 W115 C121 A122 A123 | E114-G119 PolarHBondContact O-N 3.42Å; W115-G119 CarbonylContact O-C 3.45Å; W115-G119 WeakPolarHBondContact O-CA 3.41Å; W115-G119 PolarHBondContact O-N 2.89Å; G119-C121 PolarHBondContact O-N 3.31Å; G119-A122 PolarHBondContact O-N 3.09Å; G119-A123 WeakPolarHBondContact O-CB 3.26Å; G119-A123 PolarHBondContact O-N 3.27Å |
| 120 | T | 98.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 30.7 Ų | 30.7 | 5% | 0.049 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.3 | -29.1 | 176.8 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | C75 N76 W115 E116 H118 | C75-T120 PolarHBondContact N-OG1 3.02Å; N76-T120 HydrophobicContact CB-CG2 4.19Å; W115-T120 HydrophobicContact CZ2-CG2 4.24Å; W115-T120 PolarHBondContact O-N 3.24Å; E116-T120 PolarHBondContact O-OG1 2.84Å; H118-T120 VanDerWaalsContact C-N 3.34Å; H118-T120 PolarHBondContact O-N 3.36Å |
| 121 | C | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -83.1 | -41.6 | 175 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | W34 P69 S72 E73 C75 H118 G119 A123 Q124 | W34-C121 PolarHBondContact NE1-O 2.9Å; P69-C121 HydrophobicContact CB-CB 4.16Å; P69-C121 HydrophobicContact CG-CB 3.76Å; S72-C121 VanDerWaalsContact C-SG 3.6Å; S72-C121 PolarHBondContact O-SG 2.98Å; S72-C121 WeakPolarHBondContact OG-CB 3.35Å; E73-C121 WeakPolarHBondContact CA-SG 3.43Å; C75-C121 HydrophobicContact CB-CB 3.87Å; C75-C121 WeakPolarHBondContact CB-SG 3.34Å; C75-C121 PolarHBondContact N-SG 2.8Å; C75-C121 WeakPolarHBondContact SG-CA 3.15Å; C75-C121 WeakPolarHBondContact SG-CB 3.18Å; C75-C121 CovalentContact SG-SG 2.02Å; C75-C121 PolarHBondContact SG-SG 3.43Å; H118-C121 WeakPolarHBondContact O-CB 3.21Å; H118-C121 PolarHBondContact O-N 3.46Å; G119-C121 PolarHBondContact O-N 3.31Å; C121-A123 PolarHBondContact O-N 2.65Å; C121-Q124 WeakPolarHBondContact O-CG 3.45Å; C121-Q124 PolarHBondContact O-N 3.06Å |
| 122 | A | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.9 | -30 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | L37 P69 H118 G119 Q124 V125 L128 Y134 | L37-A122 HydrophobicContact CD2-CB 4.31Å; P69-A122 HydrophobicContact CG-CB 3.91Å; H118-A122 PolarHBondContact O-N 3.09Å; G119-A122 PolarHBondContact O-N 3.09Å; A122-Q124 PolarHBondContact O-N 3.31Å; A122-V125 WeakPolarHBondContact O-CB 3.48Å; A122-V125 PolarHBondContact O-N 3.19Å; A122-L128 HydrophobicContact CB-CB 4.4Å; A122-L128 HydrophobicContact CB-CD1 3.98Å; A122-Y134 HydrophobicContact CB-CD2 3.79Å; A122-Y134 HydrophobicContact CB-CE2 3.88Å |
| 123 | A | 98.3 | Very high | 98.2 | Very high | 16 Ų | 16 | 34.9 Ų | 34.9 | 13% | 0.132 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -4.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.6 | W79 W115 G119 C121 V125 N129 | W79-A123 HydrophobicContact CH2-CB 3.83Å; W79-A123 HydrophobicContact CZ3-CB 3.48Å; W79-A123 VanDerWaalsContact CZ3-CB 3.48Å; W115-A123 HydrophobicContact CH2-CB 4.44Å; G119-A123 WeakPolarHBondContact O-CB 3.26Å; G119-A123 PolarHBondContact O-N 3.27Å; C121-A123 PolarHBondContact O-N 2.65Å; A123-V125 PolarHBondContact O-N 2.97Å; A123-N129 WeakPolarHBondContact O-CB 3.36Å |
| 124 | Q | 97.2 | Very high | 98.3 | Very high | 87 Ų | 87 | 30.8 Ų | 30.8 | 41% | 0.407 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.1 | 164.5 | -67.1 | 174.6 | 22 | 0 | 0 | 113.1 | H32 C121 A122 | H32-Q124 PolarHBondContact O-NE2 3.39Å; H32-Q124 PolarHBondContact O-OE1 3.21Å; C121-Q124 WeakPolarHBondContact O-CG 3.45Å; C121-Q124 PolarHBondContact O-N 3.06Å; A122-Q124 PolarHBondContact O-N 3.31Å |
| 125 | V | 98.3 | Very high | 98.4 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -93.8 | 129.9 | 177.1 | 174.5 | 0 | 0 | 0 | 0 | 108.9 | W34 A122 A123 A127 L128 N129 K205 | W34-V125 HydrophobicContact CH2-CG2 3.51Å; W34-V125 HydrophobicContact CZ2-CG2 3.71Å; A122-V125 WeakPolarHBondContact O-CB 3.48Å; A122-V125 PolarHBondContact O-N 3.19Å; A123-V125 PolarHBondContact O-N 2.97Å; V125-A127 HydrophobicContact CG1-CB 4.11Å; V125-A127 PolarHBondContact O-N 3.26Å; V125-L128 HydrophobicContact CB-CB 4.46Å; V125-L128 HydrophobicContact CB-CD1 4.39Å; V125-L128 HydrophobicContact CB-CG 4.45Å; V125-L128 HydrophobicContact CG1-CG 4.43Å; V125-L128 CarbonylContact O-C 3.55Å; V125-L128 WeakPolarHBondContact O-CA 3.05Å; V125-L128 PolarHBondContact O-N 3.03Å; V125-N129 PolarHBondContact O-N 2.79Å; V125-K205 HydrophobicContact CG2-CD 4.45Å; V125-K205 HydrophobicContact CG2-CG 3.6Å; V125-K205 WeakPolarHBondContact CG2-O 3.42Å |
| 126 | D | 98.1 | Very high | 98.4 | Very high | 119 Ų | 119 | 31.8 Ų | 31.8 | 64% | 0.636 | 17% | 0.171 | S | C | * | . | G | 310 helix | trans | -57.3 | -37.4 | -177.1 | -80.4 | -24.5 | 0 | 0 | 0 | 112.3 | L128 N129 K133 | D126-L128 PolarHBondContact O-N 3.02Å; D126-L128 VanDerWaalsContact O-N 3.16Å; D126-N129 PolarHBondContact O-N 3.29Å; D126-N129 PolarHBondContact O-ND2 3.48Å; D126-N129 PolarHBondContact O-OD1 3.48Å; D126-N129 VanDerWaalsContact O-OD1 3.06Å; D126-N129 PolarHBondContact OD1-ND2 3.24Å; D126-K133 WeakPolarHBondContact O-CE 3.37Å; D126-K133 PolarHBondContact O-NZ 2.87Å |
| 127 | A | 98.2 | Very high | 98.4 | Very high | 42 Ų | 42 | 30.4 Ų | 30.4 | 35% | 0.347 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -62.4 | -19.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | V125 K133 | V125-A127 HydrophobicContact CG1-CB 4.11Å; V125-A127 PolarHBondContact O-N 3.26Å; A127-K133 WeakPolarHBondContact O-CB 2.98Å; A127-K133 WeakPolarHBondContact O-CE 3.48Å |
| 128 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -121.7 | 6.7 | -173.1 | -54.4 | 176.6 | 0 | 0 | 0 | 113.1 | L37 L67 A122 V125 D126 S130 R137 | L37-L128 HydrophobicContact CD1-CD1 3.6Å; L37-L128 HydrophobicContact CD2-CD1 4.46Å; L67-L128 HydrophobicContact CD2-CD1 4.27Å; L67-L128 HydrophobicContact CD2-CD2 4.28Å; A122-L128 HydrophobicContact CB-CB 4.4Å; A122-L128 HydrophobicContact CB-CD1 3.98Å; V125-L128 HydrophobicContact CB-CB 4.46Å; V125-L128 HydrophobicContact CB-CD1 4.39Å; V125-L128 HydrophobicContact CB-CG 4.45Å; V125-L128 HydrophobicContact CG1-CG 4.43Å; V125-L128 CarbonylContact O-C 3.55Å; V125-L128 WeakPolarHBondContact O-CA 3.05Å; V125-L128 PolarHBondContact O-N 3.03Å; D126-L128 PolarHBondContact O-N 3.02Å; D126-L128 VanDerWaalsContact O-N 3.16Å; L128-S130 PolarHBondContact O-N 3.1Å; L128-R137 HydrophobicContact CD2-CB 3.61Å; L128-R137 HydrophobicContact CD2-CG 3.71Å |
| 129 | N | 98.4 | Very high | 98.5 | Very high | 62 Ų | 62 | 28.7 Ų | 28.7 | 33% | 0.332 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -73.9 | 23.8 | -168.5 | 72.1 | -2.5 | 0 | 0 | 0 | 116.5 | W79 A123 V125 D126 K133 | W79-N129 WeakPolarHBondContact CH2-O 3.17Å; A123-N129 WeakPolarHBondContact O-CB 3.36Å; V125-N129 PolarHBondContact O-N 2.79Å; D126-N129 PolarHBondContact O-N 3.29Å; D126-N129 PolarHBondContact O-ND2 3.48Å; D126-N129 PolarHBondContact O-OD1 3.48Å; D126-N129 VanDerWaalsContact O-OD1 3.06Å; D126-N129 PolarHBondContact OD1-ND2 3.24Å; N129-K133 WeakPolarHBondContact OD1-CD 3.25Å; N129-K133 WeakPolarHBondContact OD1-CE 3.43Å; N129-K133 PolarHBondContact OD1-NZ 3.1Å |
| 130 | S | 98.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 32.4 Ų | 32.4 | 21% | 0.21 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -155.1 | 163.5 | 168.8 | 75.1 | 0 | 0 | 0 | 0 | 110.4 | L128 K132 K133 Y134 | L128-S130 PolarHBondContact O-N 3.1Å; S130-K132 VanDerWaalsContact C-N 3.35Å; S130-K132 PolarHBondContact O-N 2.89Å; S130-K133 PolarHBondContact O-N 3.29Å; S130-K133 WeakPolarHBondContact OG-CB 3.44Å; S130-K133 VanDerWaalsContact OG-CG 3.29Å; S130-K133 WeakPolarHBondContact OG-CG 3.25Å; S130-K133 PolarHBondContact OG-N 2.99Å; S130-Y134 WeakPolarHBondContact O-CB 3.42Å; S130-Y134 PolarHBondContact O-N 2.7Å |
| 131 | Q | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.6 | -51.2 | 178.1 | -55.2 | -164.6 | 52.2 | 0 | 0 | 110.7 | P80 N82 E85 I86 W115 K133 Y134 F135 | P80-Q131 PolarHBondContact O-NE2 2.02Å; N82-Q131 VanDerWaalsContact N-NE2 3.19Å; E85-Q131 HydrophobicContact CB-CB 4.19Å; E85-Q131 PolarHBondContact OE1-NE2 3.32Å; E85-Q131 WeakPolarHBondContact OE2-CG 3.09Å; I86-Q131 HydrophobicContact CG2-CB 4.18Å; W115-Q131 HydrophobicContact CD2-CB 4.48Å; W115-Q131 HydrophobicContact CD2-CG 3.77Å; W115-Q131 HydrophobicContact CE3-CB 4.27Å; W115-Q131 HydrophobicContact CE3-CG 3.96Å; W115-Q131 HydrophobicContact CH2-CB 4.42Å; W115-Q131 HydrophobicContact CH2-CG 3.72Å; W115-Q131 HydrophobicContact CZ2-CG 3.52Å; W115-Q131 HydrophobicContact CZ3-CB 4.25Å; W115-Q131 HydrophobicContact CZ3-CG 3.94Å; Q131-K133 VanDerWaalsContact C-N 3.29Å; Q131-K133 PolarHBondContact O-N 3.18Å; Q131-Y134 PolarHBondContact O-N 3.23Å; Q131-F135 HydrophobicContact CB-CD2 4.42Å; Q131-F135 WeakPolarHBondContact O-CD2 2.96Å; Q131-F135 PolarHBondContact O-N 2.81Å |
| 132 | K | 98.8 | Very high | 98.6 | Very high | 95 Ų | 95 | 32.9 Ų | 32.9 | 41% | 0.413 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.4 | -42.2 | 177.9 | -172.5 | 169.7 | -177.3 | 164.8 | 0 | 112.9 | D88 L89 S130 G136 | D88-K132 VanDerWaalsContact CG-NZ 3.33Å; D88-K132 WeakPolarHBondContact OD1-CE 3.33Å; D88-K132 IonicContact OD1-NZ 2.74Å; D88-K132 PolarHBondContact OD1-NZ 3.43Å; D88-K132 WeakPolarHBondContact OD2-CE 3.4Å; D88-K132 IonicContact OD2-NZ 3.67Å; D88-K132 PolarHBondContact OD2-NZ 3.12Å; L89-K132 HydrophobicContact CD1-CG 4.37Å; S130-K132 VanDerWaalsContact C-N 3.35Å; S130-K132 PolarHBondContact O-N 2.89Å; K132-G136 WeakPolarHBondContact O-CA 3.45Å; K132-G136 PolarHBondContact O-N 2.74Å |
| 133 | K | 98.9 | Very high | 98.6 | Very high | 88 Ų | 88 | 37.9 Ų | 37.9 | 38% | 0.383 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -71.2 | -43.4 | -179.3 | -73.8 | 175.3 | 69.7 | 176.7 | 0 | 112 | D126 A127 N129 S130 Q131 R137 | D126-K133 WeakPolarHBondContact O-CE 3.37Å; D126-K133 PolarHBondContact O-NZ 2.87Å; A127-K133 WeakPolarHBondContact O-CB 2.98Å; A127-K133 WeakPolarHBondContact O-CE 3.48Å; N129-K133 WeakPolarHBondContact OD1-CD 3.25Å; N129-K133 WeakPolarHBondContact OD1-CE 3.43Å; N129-K133 PolarHBondContact OD1-NZ 3.1Å; S130-K133 PolarHBondContact O-N 3.29Å; S130-K133 WeakPolarHBondContact OG-CB 3.44Å; S130-K133 VanDerWaalsContact OG-CG 3.29Å; S130-K133 WeakPolarHBondContact OG-CG 3.25Å; S130-K133 PolarHBondContact OG-N 2.99Å; Q131-K133 VanDerWaalsContact C-N 3.29Å; Q131-K133 PolarHBondContact O-N 3.18Å; K133-R137 VanDerWaalsContact O-CB 3.24Å; K133-R137 WeakPolarHBondContact O-CB 3.24Å; K133-R137 PolarHBondContact O-N 3.47Å |
| 134 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.1 | -53.8 | 175.4 | 171.8 | -101.1 | 0 | 0 | 0 | 112 | L67 W97 W115 A122 S130 Q131 S138 | L67-Y134 HydrophobicContact CB-CE2 3.97Å; L67-Y134 HydrophobicContact CD2-CD2 4.4Å; L67-Y134 HydrophobicContact CD2-CE2 4.18Å; L67-Y134 HydrophobicContact CG-CE2 4.27Å; L67-Y134 WeakPolarHBondContact O-CE2 3.48Å; L67-Y134 PolarHBondContact O-OH 2.93Å; W97-Y134 HydrophobicContact CH2-CE1 4.05Å; W115-Y134 AromaticContact CE3-CD1 3.9Å; W115-Y134 HydrophobicContact CE3-CD1 3.9Å; W115-Y134 HydrophobicContact CE3-CG 4.24Å; W115-Y134 HydrophobicContact CZ3-CD1 4.26Å; W115-Y134 HydrophobicContact CZ3-CG 4.14Å; A122-Y134 HydrophobicContact CB-CD2 3.79Å; A122-Y134 HydrophobicContact CB-CE2 3.88Å; S130-Y134 WeakPolarHBondContact O-CB 3.42Å; S130-Y134 PolarHBondContact O-N 2.7Å; Q131-Y134 PolarHBondContact O-N 3.23Å; Y134-S138 WeakPolarHBondContact O-CB 3.38Å; Y134-S138 PolarHBondContact O-N 3.42Å; Y134-S138 PolarHBondContact O-OG 3.4Å |
| 135 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.9 | -41.6 | -179.8 | -74.1 | -69.1 | 0 | 0 | 0 | 111.9 | F81 I86 L89 M93 W97 W111 W115 Q131 S138 L139 | F81-F135 HydrophobicContact CD2-CE2 4.03Å; F81-F135 HydrophobicContact CD2-CZ 4.33Å; F81-F135 AromaticContact CE2-CE2 3.65Å; F81-F135 HydrophobicContact CE2-CE2 3.65Å; F81-F135 AromaticContact CE2-CZ 3.95Å; F81-F135 HydrophobicContact CE2-CZ 3.95Å; I86-F135 HydrophobicContact CD1-CD2 4.24Å; I86-F135 HydrophobicContact CD1-CE2 4.48Å; I86-F135 HydrophobicContact CD1-CG 4.46Å; I86-F135 HydrophobicContact CG2-CB 4.32Å; I86-F135 HydrophobicContact CG2-CD2 3.71Å; I86-F135 HydrophobicContact CG2-CE2 4.49Å; I86-F135 HydrophobicContact CG2-CG 4.32Å; L89-F135 HydrophobicContact CD1-CB 3.92Å; M93-F135 HydrophobicContact CE-CD1 3.28Å; M93-F135 HydrophobicContact CE-CE1 3.62Å; M93-F135 HydrophobicContact CE-CG 4.1Å; M93-F135 HydrophobicContact SD-CB 4.13Å; M93-F135 HydrophobicContact SD-CD1 3.87Å; M93-F135 HydrophobicContact SD-CG 4.32Å; W97-F135 AromaticContact CE3-CD1 3.99Å; W97-F135 HydrophobicContact CE3-CD1 3.99Å; W97-F135 HydrophobicContact CE3-CE1 4.42Å; W97-F135 AromaticContact CH2-CD1 3.94Å; W97-F135 HydrophobicContact CH2-CD1 3.94Å; W97-F135 AromaticContact CH2-CE1 3.95Å; W97-F135 HydrophobicContact CH2-CE1 3.95Å; W97-F135 HydrophobicContact CZ2-CE1 4.4Å; W97-F135 AromaticContact CZ3-CD1 3.5Å; W97-F135 HydrophobicContact CZ3-CD1 3.5Å; W97-F135 VanDerWaalsContact CZ3-CD1 3.5Å; W97-F135 AromaticContact CZ3-CE1 3.94Å; W97-F135 HydrophobicContact CZ3-CE1 3.94Å; W111-F135 HydrophobicContact CB-CE1 4.14Å; W111-F135 HydrophobicContact CB-CZ 4.1Å; W111-F135 WeakPolarHBondContact O-CZ 3.33Å; W115-F135 HydrophobicContact CB-CE2 4Å; W115-F135 HydrophobicContact CB-CZ 3.88Å; W115-F135 HydrophobicContact CE3-CE2 4.19Å; Q131-F135 HydrophobicContact CB-CD2 4.42Å; Q131-F135 WeakPolarHBondContact O-CD2 2.96Å; Q131-F135 PolarHBondContact O-N 2.81Å; F135-S138 PolarHBondContact O-N 3.19Å; F135-L139 WeakPolarHBondContact O-CG 3.27Å; F135-L139 PolarHBondContact O-N 2.92Å |
| 136 | G | 98.9 | Very high | 98.7 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 22% | 0.216 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.7 | -47 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K132 S138 L139 E140 | K132-G136 WeakPolarHBondContact O-CA 3.45Å; K132-G136 PolarHBondContact O-N 2.74Å; G136-S138 VanDerWaalsContact C-N 3.34Å; G136-S138 PolarHBondContact O-N 2.96Å; G136-L139 PolarHBondContact O-N 2.79Å; G136-E140 PolarHBondContact O-N 2.85Å |
| 137 | R | 98.9 | Very high | 98.8 | Very high | 33 Ų | 33 | 36.4 Ų | 36.4 | 13% | 0.125 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.4 | -34.4 | 176.9 | -176.2 | 57.1 | -179.3 | 149.7 | 10.6 | 112 | L128 K133 E140 L141 E144 | L128-R137 HydrophobicContact CD2-CB 3.61Å; L128-R137 HydrophobicContact CD2-CG 3.71Å; K133-R137 VanDerWaalsContact O-CB 3.24Å; K133-R137 WeakPolarHBondContact O-CB 3.24Å; K133-R137 PolarHBondContact O-N 3.47Å; R137-E140 WeakPolarHBondContact CD-OE2 3.42Å; R137-E140 IonicContact CZ-OE2 2.67Å; R137-E140 IonicContact NE-OE2 3.01Å; R137-E140 IonicContact NH1-OE2 3.65Å; R137-E140 PolarHBondContact NH1-OE2 2.77Å; R137-E140 PolarHBondContact O-N 2.96Å; R137-L141 HydrophobicContact CG-CD1 4.12Å; R137-L141 HydrophobicContact CG-CG 4.39Å; R137-L141 WeakPolarHBondContact O-CB 3.38Å; R137-L141 VanDerWaalsContact O-CG 3.29Å; R137-L141 WeakPolarHBondContact O-CG 3.4Å; R137-L141 PolarHBondContact O-N 3.07Å; R137-E144 IonicContact CZ-OE2 3.62Å; R137-E144 IonicContact NH1-OE1 2.65Å; R137-E144 PolarHBondContact NH1-OE1 2.86Å; R137-E144 IonicContact NH1-OE2 3.73Å; R137-E144 PolarHBondContact NH1-OE2 2.8Å; R137-E144 IonicContact NH2-OE2 3.13Å; R137-E144 PolarHBondContact NH2-OE2 2.96Å |
| 138 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 174.8 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | L67 W97 Y134 F135 G136 E140 L141 Y142 | L67-S138 WeakPolarHBondContact CB-OG 3.36Å; L67-S138 WeakPolarHBondContact CD2-OG 3.49Å; W97-S138 VanDerWaalsContact CZ3-CB 3.44Å; Y134-S138 WeakPolarHBondContact O-CB 3.38Å; Y134-S138 PolarHBondContact O-N 3.42Å; Y134-S138 PolarHBondContact O-OG 3.4Å; F135-S138 PolarHBondContact O-N 3.19Å; G136-S138 VanDerWaalsContact C-N 3.34Å; G136-S138 PolarHBondContact O-N 2.96Å; S138-E140 VanDerWaalsContact C-N 3.33Å; S138-L141 PolarHBondContact O-N 2.87Å; S138-Y142 WeakPolarHBondContact O-CB 3.5Å; S138-Y142 PolarHBondContact O-N 2.85Å |
| 139 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -38.8 | 174.1 | -70.4 | 167.7 | 0 | 0 | 0 | 111.7 | I64 L89 E92 M93 Y96 F135 G136 Y142 R143 | I64-L139 HydrophobicContact CD1-CD2 3.93Å; L89-L139 HydrophobicContact CB-CD1 4.11Å; L89-L139 HydrophobicContact CD1-CD1 4.46Å; L89-L139 HydrophobicContact CD2-CD1 4.39Å; E92-L139 HydrophobicContact CB-CD1 3.83Å; E92-L139 HydrophobicContact CB-CD2 4.02Å; M93-L139 HydrophobicContact CG-CD1 4.24Å; M93-L139 HydrophobicContact SD-CD1 3.85Å; M93-L139 HydrophobicContact SD-CD2 4.22Å; M93-L139 HydrophobicContact SD-CG 4.11Å; Y96-L139 HydrophobicContact CD2-CD2 4.29Å; F135-L139 WeakPolarHBondContact O-CG 3.27Å; F135-L139 PolarHBondContact O-N 2.92Å; G136-L139 PolarHBondContact O-N 2.79Å; L139-Y142 PolarHBondContact O-N 3.32Å; L139-R143 WeakPolarHBondContact O-CG 3.36Å; L139-R143 PolarHBondContact O-N 2.71Å; L139-R143 VanDerWaalsContact O-N 3.14Å |
| 140 | E | 98.9 | Very high | 98.8 | Very high | 79 Ų | 79 | 36.6 Ų | 36.6 | 37% | 0.369 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.9 | -48.8 | 175.2 | -172.4 | 178.3 | -137.1 | 0 | 0 | 112.2 | G136 R137 S138 Y142 R143 E144 | G136-E140 PolarHBondContact O-N 2.85Å; R137-E140 WeakPolarHBondContact CD-OE2 3.42Å; R137-E140 IonicContact CZ-OE2 2.67Å; R137-E140 IonicContact NE-OE2 3.01Å; R137-E140 IonicContact NH1-OE2 3.65Å; R137-E140 PolarHBondContact NH1-OE2 2.77Å; R137-E140 PolarHBondContact O-N 2.96Å; S138-E140 VanDerWaalsContact C-N 3.33Å; E140-Y142 VanDerWaalsContact C-N 3.29Å; E140-Y142 PolarHBondContact O-N 3.15Å; E140-R143 VanDerWaalsContact CA-NH2 3.32Å; E140-R143 PolarHBondContact O-N 3.13Å; E140-R143 VanDerWaalsContact O-N 3.08Å; E140-E144 HydrophobicContact CG-CG 4.32Å; E140-E144 WeakPolarHBondContact CG-OE1 3.4Å; E140-E144 WeakPolarHBondContact O-CG 3.29Å; E140-E144 PolarHBondContact O-N 2.58Å |
| 141 | L | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57 | -42 | 174.9 | -74.9 | 165.6 | 0 | 0 | 0 | 111.9 | L67 R137 S138 R143 E144 L145 L203 Q208 | L67-L141 HydrophobicContact CD1-CD1 4.07Å; L67-L141 HydrophobicContact CD2-CD1 4.06Å; R137-L141 HydrophobicContact CG-CD1 4.12Å; R137-L141 HydrophobicContact CG-CG 4.39Å; R137-L141 WeakPolarHBondContact O-CB 3.38Å; R137-L141 VanDerWaalsContact O-CG 3.29Å; R137-L141 WeakPolarHBondContact O-CG 3.4Å; R137-L141 PolarHBondContact O-N 3.07Å; S138-L141 PolarHBondContact O-N 2.87Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 3.03Å; L141-E144 PolarHBondContact O-N 3.32Å; L141-L145 VanDerWaalsContact O-CB 3.29Å; L141-L145 WeakPolarHBondContact O-CB 3.39Å; L141-L145 WeakPolarHBondContact O-CG 3.4Å; L141-L145 PolarHBondContact O-N 3.22Å; L141-L203 HydrophobicContact CD1-CD1 3.63Å; L141-L203 HydrophobicContact CD2-CD1 3.87Å; L141-L203 HydrophobicContact CG-CD1 4.32Å; L141-Q208 HydrophobicContact CD1-CB 4.14Å; L141-Q208 HydrophobicContact CD1-CG 4.36Å; L141-Q208 HydrophobicContact CD2-CB 4.03Å |
| 142 | Y | 98.9 | Very high | 98.8 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 6% | 0.055 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.6 | -45.2 | 174.8 | 173.2 | -98 | 0 | 0 | 0 | 112.2 | M39 Q41 W62 I64 Y96 S138 L139 E140 D146 N148 | M39-Y142 HydrophobicContact CE-CD2 4.29Å; Q41-Y142 HydrophobicContact CG-CD2 4.35Å; Q41-Y142 VanDerWaalsContact OE1-CE2 3.31Å; W62-Y142 WeakPolarHBondContact O-CE2 3.28Å; W62-Y142 PolarHBondContact O-OH 2.95Å; I64-Y142 HydrophobicContact CD1-CD1 4.45Å; I64-Y142 HydrophobicContact CD1-CD2 4.14Å; I64-Y142 HydrophobicContact CD1-CG 3.8Å; I64-Y142 HydrophobicContact CG1-CD2 3.47Å; I64-Y142 VanDerWaalsContact CG1-CD2 3.47Å; I64-Y142 HydrophobicContact CG1-CE2 4.18Å; I64-Y142 HydrophobicContact CG1-CG 3.68Å; Y96-Y142 HydrophobicContact CD1-CD1 4.29Å; Y96-Y142 AromaticContact CD1-CE1 3.4Å; Y96-Y142 HydrophobicContact CD1-CE1 3.4Å; Y96-Y142 VanDerWaalsContact CD1-CE1 3.4Å; Y96-Y142 AromaticContact CD1-CZ 3.97Å; Y96-Y142 HydrophobicContact CD2-CD1 4.17Å; Y96-Y142 HydrophobicContact CD2-CE1 4.05Å; Y96-Y142 AromaticContact CE1-CE1 3.99Å; Y96-Y142 HydrophobicContact CE1-CE1 3.99Å; Y96-Y142 AromaticContact CG-CD1 3.87Å; Y96-Y142 HydrophobicContact CG-CD1 3.87Å; Y96-Y142 AromaticContact CG-CE1 3.44Å; Y96-Y142 HydrophobicContact CG-CE1 3.44Å; Y96-Y142 VanDerWaalsContact CG-CE1 3.44Å; S138-Y142 WeakPolarHBondContact O-CB 3.5Å; S138-Y142 PolarHBondContact O-N 2.85Å; L139-Y142 PolarHBondContact O-N 3.32Å; E140-Y142 VanDerWaalsContact C-N 3.29Å; E140-Y142 PolarHBondContact O-N 3.15Å; Y142-D146 PolarHBondContact O-N 2.61Å; Y142-N148 PolarHBondContact OH-ND2 2.78Å |
| 143 | R | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 45.1 Ų | 45.1 | 40% | 0.4 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.9 | -37.6 | 177.6 | -66 | -175.9 | -53.1 | -99.8 | -4.7 | 112.9 | E92 L139 E140 L141 | E92-R143 IonicContact OE1-NH1 3.25Å; E92-R143 IonicContact OE2-CZ 3.73Å; E92-R143 IonicContact OE2-NH1 3.32Å; E92-R143 PolarHBondContact OE2-NH1 2.77Å; L139-R143 WeakPolarHBondContact O-CG 3.36Å; L139-R143 PolarHBondContact O-N 2.71Å; L139-R143 VanDerWaalsContact O-N 3.14Å; E140-R143 VanDerWaalsContact CA-NH2 3.32Å; E140-R143 PolarHBondContact O-N 3.13Å; E140-R143 VanDerWaalsContact O-N 3.08Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 3.03Å |
| 144 | E | 98.6 | Very high | 98.7 | Very high | 112 Ų | 112 | 44.4 Ų | 44.4 | 52% | 0.523 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.1 | -40.6 | 178.1 | -74.9 | 175.2 | -177.7 | 0 | 0 | 111.7 | R137 E140 L141 | R137-E144 IonicContact CZ-OE2 3.62Å; R137-E144 IonicContact NH1-OE1 2.65Å; R137-E144 PolarHBondContact NH1-OE1 2.86Å; R137-E144 IonicContact NH1-OE2 3.73Å; R137-E144 PolarHBondContact NH1-OE2 2.8Å; R137-E144 IonicContact NH2-OE2 3.13Å; R137-E144 PolarHBondContact NH2-OE2 2.96Å; E140-E144 HydrophobicContact CG-CG 4.32Å; E140-E144 WeakPolarHBondContact CG-OE1 3.4Å; E140-E144 WeakPolarHBondContact O-CG 3.29Å; E140-E144 PolarHBondContact O-N 2.58Å; L141-E144 PolarHBondContact O-N 3.32Å |
| 145 | L | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -75.1 | -35.2 | 179.5 | -67.8 | 170.5 | 0 | 0 | 0 | 112.3 | M39 L141 L147 Y176 L201 L210 | M39-L145 HydrophobicContact CB-CD1 4.2Å; M39-L145 HydrophobicContact CG-CD1 3.76Å; L141-L145 VanDerWaalsContact O-CB 3.29Å; L141-L145 WeakPolarHBondContact O-CB 3.39Å; L141-L145 WeakPolarHBondContact O-CG 3.4Å; L141-L145 PolarHBondContact O-N 3.22Å; L145-L147 VanDerWaalsContact C-N 3.28Å; L145-L147 PolarHBondContact O-N 3.39Å; L145-L147 VanDerWaalsContact O-N 3.15Å; L145-Y176 HydrophobicContact CB-CE1 4.4Å; L145-Y176 HydrophobicContact CD2-CD1 4.26Å; L145-Y176 HydrophobicContact CD2-CE1 4.03Å; L145-Y176 WeakPolarHBondContact O-CE1 3.49Å; L145-Y176 PolarHBondContact O-OH 3.49Å; L145-L201 HydrophobicContact CD1-CD1 4.07Å; L145-L201 HydrophobicContact CD2-CD1 4.11Å; L145-L210 HydrophobicContact CD2-CD1 3.95Å; L145-L210 HydrophobicContact CD2-CD2 3.9Å; L145-L210 HydrophobicContact CD2-CG 4.13Å |
| 146 | D | 98.6 | Very high | 98.6 | Very high | 67 Ų | 67 | 46.8 Ų | 46.8 | 36% | 0.358 | 24% | 0.243 | S | C | . | . | trans | 43.1 | 50.3 | 175.9 | -164.7 | 6.1 | 0 | 0 | 0 | 113.9 | Y142 N148 S149 V150 | Y142-D146 PolarHBondContact O-N 2.61Å; D146-N148 PolarHBondContact O-N 2.92Å; D146-N148 VanDerWaalsContact O-N 3.1Å; D146-S149 PolarHBondContact O-N 3.38Å; D146-S149 VanDerWaalsContact O-N 3.15Å; D146-S149 WeakPolarHBondContact OD1-CB 3.08Å; D146-S149 PolarHBondContact OD1-N 3.15Å; D146-S149 PolarHBondContact OD1-OG 3.45Å; D146-S149 WeakPolarHBondContact OD2-CB 3.5Å; D146-S149 PolarHBondContact OD2-OG 3.33Å; D146-V150 WeakPolarHBondContact O-CG2 3.47Å; D146-V150 PolarHBondContact O-N 3.26Å | ||
| 147 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -52.2 | -37 | -177.5 | 176.1 | 63.5 | 0 | 0 | 0 | 112.1 | Q41 W62 L145 V150 L151 L172 Y176 I199 | Q41-L147 HydrophobicContact CB-CD2 4.07Å; W62-L147 HydrophobicContact CB-CD2 4.04Å; W62-L147 HydrophobicContact CD2-CD2 3.85Å; W62-L147 HydrophobicContact CE3-CD2 4.07Å; W62-L147 HydrophobicContact CG-CD2 3.82Å; W62-L147 HydrophobicContact CG-CG 4.33Å; L145-L147 VanDerWaalsContact C-N 3.28Å; L145-L147 PolarHBondContact O-N 3.39Å; L145-L147 VanDerWaalsContact O-N 3.15Å; L147-V150 PolarHBondContact O-N 3.06Å; L147-L151 HydrophobicContact CD1-CD1 3.86Å; L147-L151 HydrophobicContact CD1-CG 3.91Å; L147-L151 HydrophobicContact CG-CD1 3.92Å; L147-L151 HydrophobicContact CG-CG 4.37Å; L147-L151 WeakPolarHBondContact O-CB 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.44Å; L147-L151 PolarHBondContact O-N 3.44Å; L147-L172 HydrophobicContact CD1-CD1 4.11Å; L147-L172 HydrophobicContact CD1-CD2 3.72Å; L147-Y176 VanDerWaalsContact CA-OH 3.31Å; L147-Y176 WeakPolarHBondContact CA-OH 3.34Å; L147-Y176 HydrophobicContact CD1-CE2 4.35Å; L147-I199 HydrophobicContact CD1-CD1 4.29Å; L147-I199 HydrophobicContact CD2-CB 4.17Å; L147-I199 HydrophobicContact CD2-CD1 4.03Å; L147-I199 HydrophobicContact CD2-CG2 4.27Å |
| 148 | N | 98.6 | Very high | 98.5 | Very high | 25 Ų | 25 | 52 Ų | 52 | 13% | 0.134 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.7 | -55.4 | 178.3 | -71.1 | -60.9 | 0 | 0 | 0 | 112.2 | Y61 W62 Y142 D146 V150 L151 L152 | Y61-N148 WeakPolarHBondContact CA-OD1 3.24Å; Y61-N148 VanDerWaalsContact CB-OD1 3.31Å; Y61-N148 WeakPolarHBondContact CB-OD1 3.47Å; W62-N148 WeakPolarHBondContact CB-OD1 3.31Å; W62-N148 PolarHBondContact N-OD1 3.24Å; W62-N148 PolarHBondContact O-ND2 2.98Å; W62-N148 VanDerWaalsContact O-ND2 3.07Å; Y142-N148 PolarHBondContact OH-ND2 2.78Å; D146-N148 PolarHBondContact O-N 2.92Å; D146-N148 VanDerWaalsContact O-N 3.1Å; N148-V150 VanDerWaalsContact C-N 3.3Å; N148-V150 PolarHBondContact O-N 3.09Å; N148-L151 PolarHBondContact O-N 3.23Å; N148-L152 WeakPolarHBondContact O-CB 3.47Å; N148-L152 VanDerWaalsContact O-CG 3.28Å; N148-L152 WeakPolarHBondContact O-CG 3.37Å; N148-L152 PolarHBondContact O-N 3.12Å; N148-L152 VanDerWaalsContact O-N 3.1Å |
| 149 | S | 98.5 | Very high | 98.4 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.4 | -35.4 | 178.7 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | D146 K153 | D146-S149 PolarHBondContact O-N 3.38Å; D146-S149 VanDerWaalsContact O-N 3.15Å; D146-S149 WeakPolarHBondContact OD1-CB 3.08Å; D146-S149 PolarHBondContact OD1-N 3.15Å; D146-S149 PolarHBondContact OD1-OG 3.45Å; D146-S149 WeakPolarHBondContact OD2-CB 3.5Å; D146-S149 PolarHBondContact OD2-OG 3.33Å; S149-K153 WeakPolarHBondContact O-CB 3.43Å; S149-K153 PolarHBondContact O-N 3.04Å |
| 150 | V | 98.7 | Very high | 98.1 | Very high | 24 Ų | 24 | 60 Ų | 60 | 15% | 0.145 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.2 | -53.7 | 177.2 | 167 | 0 | 0 | 0 | 0 | 110.8 | D146 L147 N148 L152 K153 L154 L172 V175 Y176 | D146-V150 WeakPolarHBondContact O-CG2 3.47Å; D146-V150 PolarHBondContact O-N 3.26Å; L147-V150 PolarHBondContact O-N 3.06Å; N148-V150 VanDerWaalsContact C-N 3.3Å; N148-V150 PolarHBondContact O-N 3.09Å; V150-L152 PolarHBondContact O-N 2.76Å; V150-K153 PolarHBondContact O-N 2.94Å; V150-L154 HydrophobicContact CG1-CD1 3.89Å; V150-L154 WeakPolarHBondContact O-CD1 3.33Å; V150-L154 VanDerWaalsContact O-CG 3.28Å; V150-L154 WeakPolarHBondContact O-CG 3.34Å; V150-L154 PolarHBondContact O-N 2.91Å; V150-L154 VanDerWaalsContact O-N 3.09Å; V150-L172 HydrophobicContact CG1-CD2 3.74Å; V150-V175 HydrophobicContact CG1-CB 4.14Å; V150-V175 HydrophobicContact CG1-CG1 3.83Å; V150-V175 HydrophobicContact CG1-CG2 4.09Å; V150-V175 HydrophobicContact CG2-CG1 3.96Å; V150-Y176 HydrophobicContact CG2-CE1 4.48Å |
| 151 | L | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 179.3 | -72.4 | 173 | 0 | 0 | 0 | 111.6 | W62 L147 N148 K153 L154 G155 I156 F168 L172 | W62-L151 HydrophobicContact CZ2-CD1 4.45Å; L147-L151 HydrophobicContact CD1-CD1 3.86Å; L147-L151 HydrophobicContact CD1-CG 3.91Å; L147-L151 HydrophobicContact CG-CD1 3.92Å; L147-L151 HydrophobicContact CG-CG 4.37Å; L147-L151 WeakPolarHBondContact O-CB 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.44Å; L147-L151 PolarHBondContact O-N 3.44Å; N148-L151 PolarHBondContact O-N 3.23Å; L151-K153 VanDerWaalsContact C-N 3.35Å; L151-K153 PolarHBondContact O-N 3.25Å; L151-L154 CarbonylContact O-C 3.48Å; L151-L154 PolarHBondContact O-N 3.19Å; L151-L154 VanDerWaalsContact O-N 3.13Å; L151-G155 PolarHBondContact O-N 2.89Å; L151-I156 CarbonylContact C-O 3.56Å; L151-I156 VanDerWaalsContact C-O 3.25Å; L151-I156 HydrophobicContact CB-CB 4.35Å; L151-I156 HydrophobicContact CD2-CB 4.02Å; L151-I156 HydrophobicContact CD2-CD1 4.05Å; L151-I156 HydrophobicContact CD2-CG2 3.97Å; L151-I156 PolarHBondContact O-N 2.99Å; L151-I156 VanDerWaalsContact O-O 3.13Å; L151-F168 HydrophobicContact CD1-CE1 4.48Å; L151-F168 HydrophobicContact CD2-CD1 3.88Å; L151-F168 HydrophobicContact CD2-CE1 4.09Å; L151-L172 HydrophobicContact CD2-CD1 4.37Å; L151-L172 HydrophobicContact CD2-CD2 3.78Å; L151-L172 HydrophobicContact CD2-CG 4.24Å; L151-L172 HydrophobicContact CG-CD2 4.28Å |
| 152 | L | 97.9 | Very high | 97.9 | Very high | 111 Ų | 111 | 67 Ų | 67 | 58% | 0.581 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.7 | -43.3 | 178.8 | -72.7 | 173.3 | 0 | 0 | 0 | 112.3 | N148 V150 L154 G155 K157 | N148-L152 WeakPolarHBondContact O-CB 3.47Å; N148-L152 VanDerWaalsContact O-CG 3.28Å; N148-L152 WeakPolarHBondContact O-CG 3.37Å; N148-L152 PolarHBondContact O-N 3.12Å; N148-L152 VanDerWaalsContact O-N 3.1Å; V150-L152 PolarHBondContact O-N 2.76Å; L152-L154 VanDerWaalsContact C-N 3.27Å; L152-L154 PolarHBondContact O-N 2.81Å; L152-G155 PolarHBondContact O-N 3.02Å; L152-K157 HydrophobicContact CD2-CB 4.07Å |
| 153 | K | 98.3 | Very high | 97.9 | Very high | 190 Ų | 190 | 68.1 Ų | 68.1 | 83% | 0.826 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.4 | -30 | 178.2 | -175.4 | 177.2 | 179.3 | -178.9 | 0 | 112.6 | S149 V150 L151 G155 | S149-K153 WeakPolarHBondContact O-CB 3.43Å; S149-K153 PolarHBondContact O-N 3.04Å; V150-K153 PolarHBondContact O-N 2.94Å; L151-K153 VanDerWaalsContact C-N 3.35Å; L151-K153 PolarHBondContact O-N 3.25Å; K153-G155 PolarHBondContact O-N 3.25Å |
| 154 | L | 97.8 | Very high | 97.9 | Very high | 73 Ų | 73 | 67.3 Ų | 67.3 | 38% | 0.382 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -2.8 | 173.6 | -67.9 | 167.1 | 0 | 0 | 0 | 112.9 | V150 L151 L152 I156 A171 V175 | V150-L154 HydrophobicContact CG1-CD1 3.89Å; V150-L154 WeakPolarHBondContact O-CD1 3.33Å; V150-L154 VanDerWaalsContact O-CG 3.28Å; V150-L154 WeakPolarHBondContact O-CG 3.34Å; V150-L154 PolarHBondContact O-N 2.91Å; V150-L154 VanDerWaalsContact O-N 3.09Å; L151-L154 CarbonylContact O-C 3.48Å; L151-L154 PolarHBondContact O-N 3.19Å; L151-L154 VanDerWaalsContact O-N 3.13Å; L152-L154 VanDerWaalsContact C-N 3.27Å; L152-L154 PolarHBondContact O-N 2.81Å; L154-I156 HydrophobicContact CB-CD1 4.28Å; L154-I156 HydrophobicContact CB-CG1 4.26Å; L154-I156 PolarHBondContact O-N 2.86Å; L154-A171 HydrophobicContact CD1-CB 3.6Å; L154-A171 HydrophobicContact CD2-CB 4.4Å; L154-A171 HydrophobicContact CG-CB 4.43Å; L154-V175 HydrophobicContact CD1-CG2 4Å; L154-V175 HydrophobicContact CD2-CG2 4.5Å |
| 155 | G | 98.1 | Very high | 97.9 | Very high | 43 Ų | 43 | 62.2 Ų | 62.2 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 10.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L151 L152 K153 K157 Y163 | L151-G155 PolarHBondContact O-N 2.89Å; L152-G155 PolarHBondContact O-N 3.02Å; K153-G155 PolarHBondContact O-N 3.25Å; G155-K157 PolarHBondContact O-N 2.76Å; G155-Y163 PolarHBondContact O-OH 3.29Å; G155-Y163 VanDerWaalsContact O-OH 3.12Å |
| 156 | I | 98.5 | Very high | 97.9 | Very high | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | trans | -89.4 | 101.5 | 175.4 | -54.5 | 173.7 | 0 | 0 | 0 | 107.3 | L151 L154 Y163 D167 F168 A171 Y248 | L151-I156 CarbonylContact C-O 3.56Å; L151-I156 VanDerWaalsContact C-O 3.25Å; L151-I156 HydrophobicContact CB-CB 4.35Å; L151-I156 HydrophobicContact CD2-CB 4.02Å; L151-I156 HydrophobicContact CD2-CD1 4.05Å; L151-I156 HydrophobicContact CD2-CG2 3.97Å; L151-I156 PolarHBondContact O-N 2.99Å; L151-I156 VanDerWaalsContact O-O 3.13Å; L154-I156 HydrophobicContact CB-CD1 4.28Å; L154-I156 HydrophobicContact CB-CG1 4.26Å; L154-I156 PolarHBondContact O-N 2.86Å; I156-Y163 HydrophobicContact CB-CE1 4.43Å; I156-Y163 HydrophobicContact CG1-CE1 4.33Å; I156-Y163 HydrophobicContact CG2-CD1 4.5Å; I156-Y163 HydrophobicContact CG2-CE1 4.16Å; I156-D167 VanDerWaalsContact CD1-O 3.27Å; I156-D167 WeakPolarHBondContact CD1-O 3.47Å; I156-F168 HydrophobicContact CG2-CD1 4Å; I156-F168 HydrophobicContact CG2-CD2 4.37Å; I156-F168 HydrophobicContact CG2-CE1 3.45Å; I156-F168 VanDerWaalsContact CG2-CE1 3.45Å; I156-F168 HydrophobicContact CG2-CE2 3.86Å; I156-F168 HydrophobicContact CG2-CG 4.42Å; I156-F168 HydrophobicContact CG2-CZ 3.37Å; I156-A171 HydrophobicContact CD1-CB 3.96Å; I156-Y248 HydrophobicContact CG2-CD1 4.37Å; I156-Y248 HydrophobicContact CG2-CE1 4.49Å | ||
| 157 | K | 97.6 | Very high | 97.9 | Very high | 126 Ų | 126 | 63.8 Ų | 63.8 | 55% | 0.548 | 34% | 0.336 | S | S | . | . | trans | -134.4 | 156.2 | -176 | 64.6 | -174.9 | 177.4 | -173 | 0 | 109.7 | L152 G155 S159 Y163 Y248 | L152-K157 HydrophobicContact CD2-CB 4.07Å; G155-K157 PolarHBondContact O-N 2.76Å; K157-S159 PolarHBondContact O-N 2.96Å; K157-Y163 PolarHBondContact N-OH 3.42Å; K157-Y163 VanDerWaalsContact N-OH 3.08Å; K157-Y163 WeakPolarHBondContact O-CE2 3.15Å; K157-Y163 PolarHBondContact O-OH 3.5Å; K157-Y248 WeakPolarHBondContact O-CD1 3.49Å | ||
| 158 | P | 97.6 | Very high | 97.8 | Very high | 38 Ų | 38 | 63.9 Ų | 63.9 | 25% | 0.247 | 34% | 0.336 | C | S | . | . | trans | -54.5 | 132.6 | 177.6 | -22.7 | 31.1 | 0 | 0 | 0 | 110.7 | W43 Y248 P250 | W43-P158 HydrophobicContact CH2-CG 3.54Å; W43-P158 HydrophobicContact CZ2-CB 4.17Å; W43-P158 HydrophobicContact CZ2-CG 3.47Å; W43-P158 VanDerWaalsContact CZ2-CG 3.47Å; P158-Y248 WeakPolarHBondContact CA-O 3.15Å; P158-Y248 HydrophobicContact CB-CD1 4.49Å; P158-Y248 HydrophobicContact CB-CE1 4.36Å; P158-Y248 VanDerWaalsContact CD-CE1 3.42Å; P158-Y248 HydrophobicContact CG-CD1 4.4Å; P158-Y248 HydrophobicContact CG-CE1 3.79Å; P158-Y248 HydrophobicContact CG-CE2 4.04Å; P158-P250 HydrophobicContact CB-CB 4.23Å; P158-P250 HydrophobicContact CB-CG 4.32Å | ||
| 159 | S | 96.1 | Very high | 97.8 | Very high | 26 Ų | 26 | 66.3 Ų | 66.3 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | trans | -151.7 | 148.9 | -167.9 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | K157 N161 F247 Y248 | K157-S159 PolarHBondContact O-N 2.96Å; S159-N161 PolarHBondContact OG-N 2.9Å; S159-F247 VanDerWaalsContact O-CE2 3.23Å; S159-F247 WeakPolarHBondContact O-CE2 3.29Å; S159-Y248 PolarHBondContact N-O 3.08Å | ||
| 160 | I | 94.3 | Very high | 97.8 | Very high | 140 Ų | 140 | 68.6 Ų | 68.6 | 72% | 0.718 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -71.7 | -20.6 | 168.7 | 62.1 | 171.3 | 0 | 0 | 0 | 112.2 | ||
| 161 | N | 96.1 | Very high | 97.7 | Very high | 114 Ų | 114 | 68.4 Ų | 68.4 | 61% | 0.61 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -85.6 | 143.8 | 175.3 | -62.8 | -26.5 | 0 | 0 | 0 | 109.9 | S159 | S159-N161 PolarHBondContact OG-N 2.9Š|
| 162 | Y | 97.8 | Very high | 97.7 | Very high | 116 Ų | 116 | 68.3 Ų | 68.3 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 145.3 | 176.4 | -53.3 | -34.4 | 0 | 0 | 0 | 112 | V193 F247 | Y162-V193 HydrophobicContact CD1-CG2 3.8Å; Y162-V193 HydrophobicContact CD2-CG1 3.92Å; Y162-V193 HydrophobicContact CD2-CG2 4.24Å; Y162-V193 HydrophobicContact CE1-CG2 3.51Å; Y162-V193 HydrophobicContact CE2-CG1 3.73Å; Y162-V193 HydrophobicContact CE2-CG2 3.96Å; Y162-V193 HydrophobicContact CG-CG2 4.16Å; Y162-F247 HydrophobicContact CD1-CB 4.01Å; Y162-F247 AromaticContact CD1-CD2 3.96Å; Y162-F247 HydrophobicContact CD1-CD2 3.96Å; Y162-F247 HydrophobicContact CD1-CG 4.36Å; Y162-F247 HydrophobicContact CE1-CB 4.04Å; Y162-F247 AromaticContact CE1-CD2 3.9Å; Y162-F247 HydrophobicContact CE1-CD2 3.9Å; Y162-F247 HydrophobicContact CE1-CG 4.16Å |
| 163 | Y | 98.5 | Very high | 97.7 | Very high | 38 Ų | 38 | 63.8 Ų | 63.8 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 170.6 | 165.1 | -73.7 | -86.7 | 0 | 0 | 0 | 109.3 | G155 I156 K157 D167 F168 P245 V246 Y248 | G155-Y163 PolarHBondContact O-OH 3.29Å; G155-Y163 VanDerWaalsContact O-OH 3.12Å; I156-Y163 HydrophobicContact CB-CE1 4.43Å; I156-Y163 HydrophobicContact CG1-CE1 4.33Å; I156-Y163 HydrophobicContact CG2-CD1 4.5Å; I156-Y163 HydrophobicContact CG2-CE1 4.16Å; K157-Y163 PolarHBondContact N-OH 3.42Å; K157-Y163 VanDerWaalsContact N-OH 3.08Å; K157-Y163 WeakPolarHBondContact O-CE2 3.15Å; K157-Y163 PolarHBondContact O-OH 3.5Å; Y163-D167 HydrophobicContact CD1-CB 4.09Å; Y163-F168 HydrophobicContact CD2-CE2 4.15Å; Y163-F168 AromaticContact CG-CE2 3.93Å; Y163-F168 HydrophobicContact CG-CE2 3.93Å; Y163-P245 CarbonylContact O-C 3.56Å; Y163-P245 VanDerWaalsContact O-CA 3.29Å; Y163-P245 WeakPolarHBondContact O-CA 3.46Å; Y163-V246 PolarHBondContact N-O 3.4Å; Y163-V246 PolarHBondContact O-N 2.99Å; Y163-Y248 HydrophobicContact CE2-CD1 4.33Å |
| 164 | Q | 98.5 | Very high | 97.7 | Very high | 88 Ų | 88 | 65.4 Ų | 65.4 | 41% | 0.411 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 146.3 | 157.7 | -62 | -62.4 | -45.8 | 0 | 0 | 109.2 | A166 D167 G244 | Q164-A166 HydrophobicContact CB-CB 4.41Å; Q164-A166 PolarHBondContact O-N 2.58Å; Q164-A166 VanDerWaalsContact O-N 3.15Å; Q164-D167 PolarHBondContact N-OD2 3.41Å; Q164-D167 VanDerWaalsContact O-CB 3.26Å; Q164-D167 WeakPolarHBondContact O-CB 3.3Å; Q164-D167 PolarHBondContact O-N 2.86Å; Q164-G244 CarbonylContact C-O 3.48Å; Q164-G244 WeakPolarHBondContact CA-O 3.3Å; Q164-G244 VanDerWaalsContact OE1-CA 3.26Å; Q164-G244 PolarHBondContact OE1-O 3.06Å |
| 165 | V | 98.4 | Very high | 97.7 | Very high | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.036 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55.8 | -32.6 | 172.6 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | D167 F168 K169 I182 C241 E242 G244 V246 | V165-D167 VanDerWaalsContact C-N 3.27Å; V165-D167 PolarHBondContact O-N 2.93Å; V165-F168 PolarHBondContact O-N 2.97Å; V165-K169 WeakPolarHBondContact O-CB 3.01Å; V165-K169 PolarHBondContact O-N 3.17Å; V165-I182 HydrophobicContact CG1-CD1 4.42Å; V165-C241 HydrophobicContact CG1-CB 4.02Å; V165-C241 HydrophobicContact CG2-CB 3.76Å; V165-E242 VanDerWaalsContact CG2-O 3.26Å; V165-E242 WeakPolarHBondContact CG2-O 3.28Å; V165-G244 PolarHBondContact N-O 3.49Å; V165-V246 HydrophobicContact CG2-CB 3.78Å; V165-V246 HydrophobicContact CG2-CG1 3.84Å; V165-V246 HydrophobicContact CG2-CG2 4.45Å |
| 166 | A | 98.1 | Very high | 97.7 | Very high | 40 Ų | 40 | 64.5 Ų | 64.5 | 33% | 0.331 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59 | -33.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q164 F168 K169 D170 | Q164-A166 HydrophobicContact CB-CB 4.41Å; Q164-A166 PolarHBondContact O-N 2.58Å; Q164-A166 VanDerWaalsContact O-N 3.15Å; A166-F168 VanDerWaalsContact C-N 3.27Å; A166-F168 PolarHBondContact O-N 3.16Å; A166-K169 PolarHBondContact O-N 3.04Å; A166-D170 VanDerWaalsContact O-CB 3.28Å; A166-D170 WeakPolarHBondContact O-CB 3.44Å; A166-D170 PolarHBondContact O-N 3Å |
| 167 | D | 98.3 | Very high | 97.7 | Very high | 73 Ų | 73 | 67.1 Ų | 67.1 | 39% | 0.39 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 178.3 | -62.7 | -35.7 | 0 | 0 | 0 | 110.9 | I156 Y163 Q164 V165 A171 | I156-D167 VanDerWaalsContact CD1-O 3.27Å; I156-D167 WeakPolarHBondContact CD1-O 3.47Å; Y163-D167 HydrophobicContact CD1-CB 4.09Å; Q164-D167 PolarHBondContact N-OD2 3.41Å; Q164-D167 VanDerWaalsContact O-CB 3.26Å; Q164-D167 WeakPolarHBondContact O-CB 3.3Å; Q164-D167 PolarHBondContact O-N 2.86Å; V165-D167 VanDerWaalsContact C-N 3.27Å; V165-D167 PolarHBondContact O-N 2.93Å; D167-A171 WeakPolarHBondContact O-CB 3.44Å |
| 168 | F | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -73.4 | -53.4 | 173.9 | -73 | -99.4 | 0 | 0 | 0 | 111.2 | L151 I156 Y163 V165 A166 D170 A171 L172 I182 V196 I199 V246 Y248 | L151-F168 HydrophobicContact CD1-CE1 4.48Å; L151-F168 HydrophobicContact CD2-CD1 3.88Å; L151-F168 HydrophobicContact CD2-CE1 4.09Å; I156-F168 HydrophobicContact CG2-CD1 4Å; I156-F168 HydrophobicContact CG2-CD2 4.37Å; I156-F168 HydrophobicContact CG2-CE1 3.45Å; I156-F168 VanDerWaalsContact CG2-CE1 3.45Å; I156-F168 HydrophobicContact CG2-CE2 3.86Å; I156-F168 HydrophobicContact CG2-CG 4.42Å; I156-F168 HydrophobicContact CG2-CZ 3.37Å; Y163-F168 HydrophobicContact CD2-CE2 4.15Å; Y163-F168 AromaticContact CG-CE2 3.93Å; Y163-F168 HydrophobicContact CG-CE2 3.93Å; V165-F168 PolarHBondContact O-N 2.97Å; A166-F168 VanDerWaalsContact C-N 3.27Å; A166-F168 PolarHBondContact O-N 3.16Å; F168-D170 PolarHBondContact O-N 3.04Å; F168-A171 PolarHBondContact O-N 2.88Å; F168-L172 VanDerWaalsContact O-CB 3.24Å; F168-L172 WeakPolarHBondContact O-CB 3.38Å; F168-L172 WeakPolarHBondContact O-CG 3.41Å; F168-L172 PolarHBondContact O-N 3.25Å; F168-I182 HydrophobicContact CB-CD1 3.47Å; F168-I182 VanDerWaalsContact CB-CD1 3.47Å; F168-V196 HydrophobicContact CZ-CG1 4.28Å; F168-I199 HydrophobicContact CD1-CD1 4.33Å; F168-V246 HydrophobicContact CD2-CG1 4.33Å; F168-V246 HydrophobicContact CE2-CG1 4.19Å; F168-Y248 HydrophobicContact CE1-CD1 4.34Å; F168-Y248 AromaticContact CZ-CD1 3.76Å; F168-Y248 HydrophobicContact CZ-CD1 3.76Å; F168-Y248 HydrophobicContact CZ-CE1 4.41Å; F168-Y248 AromaticContact CZ-CG 3.9Å; F168-Y248 HydrophobicContact CZ-CG 3.9Å |
| 169 | K | 97.6 | Very high | 97.6 | Very high | 77 Ų | 77 | 63.9 Ų | 63.9 | 34% | 0.335 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.9 | -49 | -170.9 | -170.2 | 178.4 | -179.6 | 179.7 | 0 | 111.9 | V165 A166 A173 I179 I182 | V165-K169 WeakPolarHBondContact O-CB 3.01Å; V165-K169 PolarHBondContact O-N 3.17Å; A166-K169 PolarHBondContact O-N 3.04Å; K169-A173 WeakPolarHBondContact O-CB 3.2Å; K169-A173 PolarHBondContact O-N 2.82Å; K169-I179 HydrophobicContact CG-CG2 4.39Å; K169-I182 HydrophobicContact CB-CD1 3.87Å |
| 170 | D | 97.7 | Very high | 97.7 | Very high | 107 Ų | 107 | 63 Ų | 63 | 57% | 0.572 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -74.3 | -39.5 | -175.2 | -64.1 | -15.7 | 0 | 0 | 0 | 111.3 | A166 F168 A173 R174 | A166-D170 VanDerWaalsContact O-CB 3.28Å; A166-D170 WeakPolarHBondContact O-CB 3.44Å; A166-D170 PolarHBondContact O-N 3Å; F168-D170 PolarHBondContact O-N 3.04Å; D170-A173 PolarHBondContact O-N 3.23Å; D170-R174 WeakPolarHBondContact O-CB 3.17Å; D170-R174 PolarHBondContact O-N 2.96Å |
| 171 | A | 97.5 | Very high | 97.8 | Very high | 20 Ų | 20 | 59.6 Ų | 59.6 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.6 | -43.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L154 I156 D167 F168 R174 V175 | L154-A171 HydrophobicContact CD1-CB 3.6Å; L154-A171 HydrophobicContact CD2-CB 4.4Å; L154-A171 HydrophobicContact CG-CB 4.43Å; I156-A171 HydrophobicContact CD1-CB 3.96Å; D167-A171 WeakPolarHBondContact O-CB 3.44Å; F168-A171 PolarHBondContact O-N 2.88Å; A171-R174 PolarHBondContact O-N 2.99Å; A171-V175 WeakPolarHBondContact O-CG2 3.36Å; A171-V175 PolarHBondContact O-N 3.05Å |
| 172 | L | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.7 | -39.8 | 175.9 | -65.5 | -180 | 0 | 0 | 0 | 111.6 | L147 V150 L151 F168 R174 V175 Y176 P180 I199 | L147-L172 HydrophobicContact CD1-CD1 4.11Å; L147-L172 HydrophobicContact CD1-CD2 3.72Å; V150-L172 HydrophobicContact CG1-CD2 3.74Å; L151-L172 HydrophobicContact CD2-CD1 4.37Å; L151-L172 HydrophobicContact CD2-CD2 3.78Å; L151-L172 HydrophobicContact CD2-CG 4.24Å; L151-L172 HydrophobicContact CG-CD2 4.28Å; F168-L172 VanDerWaalsContact O-CB 3.24Å; F168-L172 WeakPolarHBondContact O-CB 3.38Å; F168-L172 WeakPolarHBondContact O-CG 3.41Å; F168-L172 PolarHBondContact O-N 3.25Å; L172-R174 VanDerWaalsContact C-N 3.27Å; L172-R174 PolarHBondContact O-N 3.01Å; L172-V175 PolarHBondContact O-N 3.33Å; L172-V175 VanDerWaalsContact O-N 3.17Å; L172-Y176 HydrophobicContact CB-CD2 4.22Å; L172-Y176 HydrophobicContact CB-CE2 4.47Å; L172-Y176 HydrophobicContact CD2-CD2 4.46Å; L172-Y176 HydrophobicContact CD2-CE2 3.92Å; L172-Y176 WeakPolarHBondContact O-CB 3.48Å; L172-Y176 WeakPolarHBondContact O-CD2 3.34Å; L172-Y176 PolarHBondContact O-N 3.19Å; L172-P180 HydrophobicContact CB-CG 3.86Å; L172-P180 HydrophobicContact CD1-CG 4.21Å; L172-I199 HydrophobicContact CD1-CD1 3.89Å; L172-I199 HydrophobicContact CD1-CG2 4.22Å |
| 173 | A | 98 | Very high | 97.9 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 13% | 0.132 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K169 D170 G177 V178 I179 | K169-A173 WeakPolarHBondContact O-CB 3.2Å; K169-A173 PolarHBondContact O-N 2.82Å; D170-A173 PolarHBondContact O-N 3.23Å; A173-G177 VanDerWaalsContact O-CA 3.25Å; A173-G177 WeakPolarHBondContact O-CA 3.16Å; A173-G177 PolarHBondContact O-N 2.88Å; A173-V178 VanDerWaalsContact CA-O 3.31Å; A173-V178 WeakPolarHBondContact CA-O 3.45Å; A173-I179 HydrophobicContact CB-CD1 3.63Å |
| 174 | R | 98.1 | Very high | 97.9 | Very high | 224 Ų | 224 | 48.2 Ų | 48.2 | 85% | 0.845 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.7 | -36 | 176.2 | -177.4 | 178.1 | 178.9 | -175.8 | 0.7 | 113 | D170 A171 L172 | D170-R174 WeakPolarHBondContact O-CB 3.17Å; D170-R174 PolarHBondContact O-N 2.96Å; A171-R174 PolarHBondContact O-N 2.99Å; L172-R174 VanDerWaalsContact C-N 3.27Å; L172-R174 PolarHBondContact O-N 3.01Å |
| 175 | V | 98.4 | Very high | 97.8 | Very high | 70 Ų | 70 | 46.3 Ų | 46.3 | 42% | 0.424 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -79.7 | -47 | -178.2 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | V150 L154 A171 L172 | V150-V175 HydrophobicContact CG1-CB 4.14Å; V150-V175 HydrophobicContact CG1-CG1 3.83Å; V150-V175 HydrophobicContact CG1-CG2 4.09Å; V150-V175 HydrophobicContact CG2-CG1 3.96Å; L154-V175 HydrophobicContact CD1-CG2 4Å; L154-V175 HydrophobicContact CD2-CG2 4.5Å; A171-V175 WeakPolarHBondContact O-CG2 3.36Å; A171-V175 PolarHBondContact O-N 3.05Å; L172-V175 PolarHBondContact O-N 3.33Å; L172-V175 VanDerWaalsContact O-N 3.17Å |
| 176 | Y | 98.3 | Very high | 97.6 | Very high | 26 Ų | 26 | 49.8 Ų | 49.8 | 10% | 0.102 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -89.4 | -12.7 | -174.9 | -64.6 | -52.6 | 0 | 0 | 0 | 113.8 | L145 L147 V150 L172 V178 L201 L210 | L145-Y176 HydrophobicContact CB-CE1 4.4Å; L145-Y176 HydrophobicContact CD2-CD1 4.26Å; L145-Y176 HydrophobicContact CD2-CE1 4.03Å; L145-Y176 WeakPolarHBondContact O-CE1 3.49Å; L145-Y176 PolarHBondContact O-OH 3.49Å; L147-Y176 VanDerWaalsContact CA-OH 3.31Å; L147-Y176 WeakPolarHBondContact CA-OH 3.34Å; L147-Y176 HydrophobicContact CD1-CE2 4.35Å; V150-Y176 HydrophobicContact CG2-CE1 4.48Å; L172-Y176 HydrophobicContact CB-CD2 4.22Å; L172-Y176 HydrophobicContact CB-CE2 4.47Å; L172-Y176 HydrophobicContact CD2-CD2 4.46Å; L172-Y176 HydrophobicContact CD2-CE2 3.92Å; L172-Y176 WeakPolarHBondContact O-CB 3.48Å; L172-Y176 WeakPolarHBondContact O-CD2 3.34Å; L172-Y176 PolarHBondContact O-N 3.19Å; Y176-V178 PolarHBondContact O-N 3.07Å; Y176-L201 HydrophobicContact CD2-CD1 3.91Å; Y176-L201 HydrophobicContact CD2-CD2 3.86Å; Y176-L201 HydrophobicContact CE2-CD1 3.72Å; Y176-L201 HydrophobicContact CE2-CD2 4.43Å; Y176-L201 HydrophobicContact CG-CD1 4.4Å; Y176-L201 HydrophobicContact CG-CD2 4.32Å; Y176-L210 HydrophobicContact CD1-CD1 3.89Å; Y176-L210 HydrophobicContact CG-CD1 4.26Å |
| 177 | G | 98.1 | Very high | 97.3 | Very high | 63 Ų | 63 | 50.9 Ų | 50.9 | 65% | 0.649 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 70.7 | 9.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A173 | A173-G177 VanDerWaalsContact O-CA 3.25Å; A173-G177 WeakPolarHBondContact O-CA 3.16Å; A173-G177 PolarHBondContact O-N 2.88Å |
| 178 | V | 97.4 | Very high | 96.7 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -139.2 | 152.7 | -179.5 | -61.3 | 0 | 0 | 0 | 0 | 110.2 | A173 Y176 P180 L201 L210 N212 | A173-V178 VanDerWaalsContact CA-O 3.31Å; A173-V178 WeakPolarHBondContact CA-O 3.45Å; Y176-V178 PolarHBondContact O-N 3.07Å; V178-P180 VanDerWaalsContact O-CD 3.32Å; V178-P180 WeakPolarHBondContact O-CD 3.49Å; V178-L201 HydrophobicContact CG2-CD2 4.09Å; V178-L210 HydrophobicContact CG1-CB 4.15Å; V178-L210 HydrophobicContact CG2-CB 4.13Å; V178-L210 HydrophobicContact CG2-CD2 3.85Å; V178-L210 HydrophobicContact CG2-CG 4.47Å; V178-N212 WeakPolarHBondContact CA-OD1 3.15Å |
| 179 | I | 96.5 | Very high | 95.6 | Very high | 85 Ų | 85 | 60 Ų | 60 | 44% | 0.436 | 32% | 0.323 | S | S | . | . | trans | -81.5 | 115.7 | -179.2 | -52.3 | -53.9 | 0 | 0 | 0 | 109.8 | K169 A173 N212 | K169-I179 HydrophobicContact CG-CG2 4.39Å; A173-I179 HydrophobicContact CB-CD1 3.63Å; I179-N212 PolarHBondContact N-OD1 3.35Å | ||
| 180 | P | 97.1 | Very high | 94.8 | Very high | 6 Ų | 6 | 64 Ų | 64 | 4% | 0.039 | 35% | 0.348 | C | S | . | . | trans | -72 | 153.6 | 173.2 | 32.2 | -35.8 | 0 | 0 | 0 | 110.6 | L172 V178 I182 I199 E200 L201 | L172-P180 HydrophobicContact CB-CG 3.86Å; L172-P180 HydrophobicContact CD1-CG 4.21Å; V178-P180 VanDerWaalsContact O-CD 3.32Å; V178-P180 WeakPolarHBondContact O-CD 3.49Å; P180-I182 HydrophobicContact CG-CG1 4.43Å; P180-I199 HydrophobicContact CB-CG2 4.22Å; P180-E200 WeakPolarHBondContact CA-O 3.5Å; P180-L201 HydrophobicContact CB-CD2 3.9Å | ||
| 181 | K | 97.6 | Very high | 94.2 | Very high | 69 Ų | 69 | 63 Ų | 63 | 30% | 0.3 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125.6 | 163 | 169.1 | 170.3 | 161.3 | -117.2 | 0 | 108.4 | Q183 I199 E200 V240 | K181-Q183 HydrophobicContact CG-CG 4.34Å; K181-I199 WeakPolarHBondContact O-CA 3.36Å; K181-E200 HydrophobicContact CB-CB 4.08Å; K181-E200 VanDerWaalsContact CD-OE2 3.3Å; K181-E200 WeakPolarHBondContact CD-OE2 3.49Å; K181-E200 PolarHBondContact N-O 2.9Å; K181-E200 IonicContact NZ-OE1 3Å; K181-E200 PolarHBondContact NZ-OE1 3.43Å; K181-E200 IonicContact NZ-OE2 2.98Å; K181-E200 PolarHBondContact NZ-OE2 3.27Å; K181-E200 PolarHBondContact O-N 2.99Å; K181-V240 HydrophobicContact CD-CG2 4.3Å; K181-V240 HydrophobicContact CG-CG2 4.47Å |
| 182 | I | 98 | Very high | 93.7 | Very high | 11 Ų | 11 | 70.1 Ų | 70.1 | 6% | 0.056 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.8 | -179.6 | -48.5 | 178.3 | 0 | 0 | 0 | 107.3 | V165 F168 K169 P180 V196 I199 C241 | V165-I182 HydrophobicContact CG1-CD1 4.42Å; F168-I182 HydrophobicContact CB-CD1 3.47Å; F168-I182 VanDerWaalsContact CB-CD1 3.47Å; K169-I182 HydrophobicContact CB-CD1 3.87Å; P180-I182 HydrophobicContact CG-CG1 4.43Å; I182-V196 HydrophobicContact CG2-CG2 3.66Å; I182-I199 HydrophobicContact CG2-CG1 4.31Å; I182-C241 VanDerWaalsContact CG2-SG 3.51Å; I182-C241 PolarHBondContact O-N 3.42Å |
| 183 | Q | 98 | Very high | 93.5 | Very high | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.075 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.9 | 179.6 | -67.4 | 172.5 | -56.5 | 0 | 0 | 112 | K181 G197 Q198 E200 L238 R239 | K181-Q183 HydrophobicContact CG-CG 4.34Å; Q183-G197 PolarHBondContact O-N 3.4Å; Q183-Q198 HydrophobicContact CB-CB 4.14Å; Q183-Q198 PolarHBondContact N-O 3.32Å; Q183-Q198 PolarHBondContact O-N 3.26Å; Q183-Q198 VanDerWaalsContact OE1-CD 3.29Å; Q183-E200 PolarHBondContact OE1-OE1 3.37Å; Q183-L238 HydrophobicContact CB-CB 4.26Å; Q183-L238 HydrophobicContact CB-CD2 4.47Å; Q183-R239 CarbonylContact C-O 3.51Å; Q183-R239 WeakPolarHBondContact CA-O 3.42Å; Q183-R239 WeakPolarHBondContact CB-O 2.94Å |
| 184 | C | 97.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.02 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 151.8 | -174.6 | -70.7 | 0 | 0 | 0 | 0 | 110.4 | Q194 T195 L238 R239 C241 | C184-Q194 HydrophobicContact CB-CB 3.91Å; C184-Q194 HydrophobicContact CB-CG 4.04Å; C184-Q194 PolarHBondContact SG-OE1 3.42Å; C184-T195 CarbonylContact C-O 3.57Å; C184-T195 WeakPolarHBondContact CA-O 3.43Å; C184-T195 WeakPolarHBondContact CB-O 3.44Å; C184-L238 WeakPolarHBondContact O-CA 3.29Å; C184-R239 PolarHBondContact N-O 2.85Å; C184-R239 PolarHBondContact O-N 3.1Å; C184-C241 HydrophobicContact CB-CB 3.95Å; C184-C241 WeakPolarHBondContact CB-SG 3.46Å; C184-C241 PolarHBondContact N-SG 3.35Å; C184-C241 WeakPolarHBondContact SG-CB 3.49Å; C184-C241 CovalentContact SG-SG 2.03Å; C184-C241 PolarHBondContact SG-SG 3.01Å |
| 185 | L | 95.3 | Very high | 93.5 | Very high | 47 Ų | 47 | 61.1 Ų | 61.1 | 25% | 0.246 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 135.1 | 157.8 | -67 | -179.5 | 0 | 0 | 0 | 108 | T46 Q194 T195 L238 | T46-L185 HydrophobicContact CG2-CD1 3.72Å; T46-L185 HydrophobicContact CG2-CG 3.94Å; T46-L185 WeakPolarHBondContact O-CD1 3.4Å; L185-Q194 WeakPolarHBondContact O-CA 2.84Å; L185-Q194 WeakPolarHBondContact O-CB 3.41Å; L185-T195 PolarHBondContact N-O 3.37Å; L185-T195 PolarHBondContact O-N 3.41Å; L185-L238 HydrophobicContact CD2-CD2 3.89Å; L185-L238 HydrophobicContact CD2-CG 4.03Å; L185-L238 HydrophobicContact CG-CD2 3.98Å |
| 186 | P | 94.1 | Very high | 93.5 | Very high | 80 Ų | 80 | 57.8 Ų | 57.8 | 52% | 0.519 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 156.2 | 172.7 | 29 | -34.7 | 0 | 0 | 0 | 110.1 | S188 G237 | P186-S188 PolarHBondContact O-N 2.74Å; P186-G237 WeakPolarHBondContact CD-O 3.32Å |
| 187 | P | 92.3 | Very high | 93.4 | Very high | 62 Ų | 62 | 56.6 Ų | 56.6 | 40% | 0.403 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 131.1 | 175.6 | -7.5 | 13.6 | 0 | 0 | 0 | 110.7 | E191 | P187-E191 HydrophobicContact CB-CB 4.09Å; P187-E191 VanDerWaalsContact CB-O 3.22Å; P187-E191 WeakPolarHBondContact CB-O 3.38Å |
| 188 | S | 85.6 | Confident | 93.4 | Very high | 64 Ų | 64 | 53.9 Ų | 53.9 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 173.8 | 167.4 | 63.2 | 0 | 0 | 0 | 0 | 111.1 | P186 D190 E191 | P186-S188 PolarHBondContact O-N 2.74Å; S188-D190 PolarHBondContact O-N 3.19Å; S188-E191 PolarHBondContact N-OE2 3.19Å; S188-E191 VanDerWaalsContact N-OE2 3.1Å; S188-E191 PolarHBondContact O-N 3.3Å; S188-E191 WeakPolarHBondContact OG-CG 3.45Å; S188-E191 PolarHBondContact OG-OE2 3.3Å |
| 189 | Q | 76.1 | Confident | 93.5 | Very high | 202 Ų | 202 | 53.3 Ų | 53.3 | 94% | 0.944 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -25.4 | -172.6 | -77.1 | -174.3 | -3.2 | 0 | 0 | 114.8 | ||
| 190 | D | 81 | Confident | 93.6 | Very high | 162 Ų | 162 | 49.7 Ų | 49.7 | 87% | 0.866 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 5.8 | -177.9 | -60.5 | -47.7 | 0 | 0 | 0 | 113.3 | S188 | S188-D190 PolarHBondContact O-N 3.19Š|
| 191 | E | 84.8 | Confident | 93.7 | Very high | 84 Ų | 84 | 49.4 Ų | 49.4 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | trans | -111.4 | 140.6 | -178.9 | -69.4 | 171.5 | 155.1 | 0 | 0 | 111 | P187 S188 | P187-E191 HydrophobicContact CB-CB 4.09Å; P187-E191 VanDerWaalsContact CB-O 3.22Å; P187-E191 WeakPolarHBondContact CB-O 3.38Å; S188-E191 PolarHBondContact N-OE2 3.19Å; S188-E191 VanDerWaalsContact N-OE2 3.1Å; S188-E191 PolarHBondContact O-N 3.3Å; S188-E191 WeakPolarHBondContact OG-CG 3.45Å; S188-E191 PolarHBondContact OG-OE2 3.3Å | ||
| 192 | E | 86.4 | Confident | 93.7 | Very high | 170 Ų | 170 | 46.2 Ų | 46.2 | 79% | 0.794 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -90 | -21.3 | -178.7 | -63.2 | -174.6 | 175.1 | 0 | 0 | 113.1 | ||
| 193 | V | 95.9 | Very high | 93.7 | Very high | 19 Ų | 19 | 45.7 Ų | 45.7 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -134.5 | 155.5 | -171.8 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | Y162 P245 F247 | Y162-V193 HydrophobicContact CD1-CG2 3.8Å; Y162-V193 HydrophobicContact CD2-CG1 3.92Å; Y162-V193 HydrophobicContact CD2-CG2 4.24Å; Y162-V193 HydrophobicContact CE1-CG2 3.51Å; Y162-V193 HydrophobicContact CE2-CG1 3.73Å; Y162-V193 HydrophobicContact CE2-CG2 3.96Å; Y162-V193 HydrophobicContact CG-CG2 4.16Å; V193-P245 HydrophobicContact CB-CB 4.4Å; V193-P245 HydrophobicContact CG1-CB 3.76Å; V193-F247 HydrophobicContact CG2-CB 3.78Å |
| 194 | Q | 97.4 | Very high | 93.8 | Very high | 21 Ų | 21 | 46.9 Ų | 46.9 | 10% | 0.098 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 155.1 | 173 | 67.8 | -169.1 | -45.1 | 0 | 0 | 111.3 | C184 L185 E242 P245 V246 F247 | C184-Q194 HydrophobicContact CB-CB 3.91Å; C184-Q194 HydrophobicContact CB-CG 4.04Å; C184-Q194 PolarHBondContact SG-OE1 3.42Å; L185-Q194 WeakPolarHBondContact O-CA 2.84Å; L185-Q194 WeakPolarHBondContact O-CB 3.41Å; Q194-E242 PolarHBondContact NE2-O 3.25Å; Q194-P245 PolarHBondContact NE2-O 2.87Å; Q194-V246 HydrophobicContact CG-CB 4.16Å; Q194-V246 HydrophobicContact CG-CG2 4.06Å; Q194-V246 WeakPolarHBondContact O-CA 3.5Å; Q194-F247 PolarHBondContact O-N 3.25Å |
| 195 | T | 97.3 | Very high | 93.7 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.5 | -177.3 | -59.1 | 0 | 0 | 0 | 0 | 110.4 | T46 C184 L185 G197 F247 P249 | T46-T195 HydrophobicContact CG2-CG2 3.72Å; T46-T195 WeakPolarHBondContact OG1-CG2 3.45Å; C184-T195 CarbonylContact C-O 3.57Å; C184-T195 WeakPolarHBondContact CA-O 3.43Å; C184-T195 WeakPolarHBondContact CB-O 3.44Å; L185-T195 PolarHBondContact N-O 3.37Å; L185-T195 PolarHBondContact O-N 3.41Å; T195-G197 PolarHBondContact O-N 2.96Å; T195-F247 WeakPolarHBondContact CA-O 3.16Å; T195-F247 HydrophobicContact CG2-CD1 4.12Å; T195-P249 HydrophobicContact CG2-CG 3.77Å |
| 196 | V | 98.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 128.9 | -178.8 | 72.8 | 0 | 0 | 0 | 0 | 110.6 | T46 W62 F168 I182 V246 F247 Y248 | T46-V196 WeakPolarHBondContact CB-O 3.46Å; T46-V196 WeakPolarHBondContact CG2-O 3.3Å; T46-V196 PolarHBondContact OG1-O 2.89Å; W62-V196 HydrophobicContact CH2-CG1 4.49Å; W62-V196 HydrophobicContact CH2-CG2 4.02Å; W62-V196 HydrophobicContact CZ2-CG1 4.43Å; F168-V196 HydrophobicContact CZ-CG1 4.28Å; I182-V196 HydrophobicContact CG2-CG2 3.66Å; V196-V246 HydrophobicContact CB-CG2 3.72Å; V196-F247 PolarHBondContact N-O 3.46Å; V196-Y248 HydrophobicContact CG1-CD2 3.64Å; V196-Y248 HydrophobicContact CG1-CE2 4.5Å; V196-Y248 HydrophobicContact CG1-CG 4.05Å |
| 197 | G | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | -29.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | H42 W43 Q183 T195 | H42-G197 CarbonylContact C-O 3.44Å; H42-G197 WeakPolarHBondContact CA-O 3.27Å; H42-G197 WeakPolarHBondContact CB-O 3.48Å; W43-G197 PolarHBondContact N-O 3.38Å; Q183-G197 PolarHBondContact O-N 3.4Å; T195-G197 PolarHBondContact O-N 2.96Å |
| 198 | Q | 98.5 | Very high | 94.1 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 141.1 | -176.1 | 175 | 163.9 | -63.7 | 0 | 0 | 112 | V40 Q41 H42 H65 Q183 E200 L238 | V40-Q198 HydrophobicContact CG1-CG 3.57Å; V40-Q198 VanDerWaalsContact CG1-OE1 3.28Å; Q41-Q198 CarbonylContact O-C 3.49Å; Q41-Q198 WeakPolarHBondContact O-CA 3.04Å; H42-Q198 HydrophobicContact CB-CB 4.36Å; H65-Q198 PolarHBondContact ND1-OE1 2.87Å; Q183-Q198 HydrophobicContact CB-CB 4.14Å; Q183-Q198 PolarHBondContact N-O 3.32Å; Q183-Q198 PolarHBondContact O-N 3.26Å; Q183-Q198 VanDerWaalsContact OE1-CD 3.29Å; Q198-E200 HydrophobicContact CG-CG 4.27Å; Q198-E200 PolarHBondContact NE2-OE1 3.04Å; Q198-E200 VanDerWaalsContact NE2-OE1 3.15Å; Q198-L238 HydrophobicContact CB-CD1 3.86Å |
| 199 | I | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 127.5 | 173.9 | -68.7 | 169.5 | 0 | 0 | 0 | 108 | Q41 W62 L147 F168 L172 P180 K181 I182 | Q41-I199 PolarHBondContact N-O 3.29Å; Q41-I199 PolarHBondContact O-N 2.99Å; W62-I199 HydrophobicContact CE3-CD1 4.4Å; W62-I199 HydrophobicContact CH2-CD1 3.57Å; W62-I199 HydrophobicContact CH2-CG1 3.76Å; W62-I199 HydrophobicContact CZ2-CD1 3.7Å; W62-I199 HydrophobicContact CZ2-CG1 4.41Å; W62-I199 HydrophobicContact CZ3-CB 4.21Å; W62-I199 HydrophobicContact CZ3-CD1 3.94Å; W62-I199 HydrophobicContact CZ3-CG1 3.86Å; L147-I199 HydrophobicContact CD1-CD1 4.29Å; L147-I199 HydrophobicContact CD2-CB 4.17Å; L147-I199 HydrophobicContact CD2-CD1 4.03Å; L147-I199 HydrophobicContact CD2-CG2 4.27Å; F168-I199 HydrophobicContact CD1-CD1 4.33Å; L172-I199 HydrophobicContact CD1-CD1 3.89Å; L172-I199 HydrophobicContact CD1-CG2 4.22Å; P180-I199 HydrophobicContact CB-CG2 4.22Å; K181-I199 WeakPolarHBondContact O-CA 3.36Å; I182-I199 HydrophobicContact CG2-CG1 4.31Å |
| 200 | E | 98.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.4 | -179.8 | -68 | 176.9 | -165 | 0 | 0 | 110.2 | I38 M39 V40 P180 K181 Q183 Q198 | I38-E200 HydrophobicContact CG2-CB 3.68Å; I38-E200 HydrophobicContact CG2-CG 3.93Å; M39-E200 WeakPolarHBondContact O-CA 3.3Å; V40-E200 HydrophobicContact CG1-CG 4.11Å; V40-E200 HydrophobicContact CG2-CG 4.14Å; P180-E200 WeakPolarHBondContact CA-O 3.5Å; K181-E200 HydrophobicContact CB-CB 4.08Å; K181-E200 VanDerWaalsContact CD-OE2 3.3Å; K181-E200 WeakPolarHBondContact CD-OE2 3.49Å; K181-E200 PolarHBondContact N-O 2.9Å; K181-E200 IonicContact NZ-OE1 3Å; K181-E200 PolarHBondContact NZ-OE1 3.43Å; K181-E200 IonicContact NZ-OE2 2.98Å; K181-E200 PolarHBondContact NZ-OE2 3.27Å; K181-E200 PolarHBondContact O-N 2.99Å; Q183-E200 PolarHBondContact OE1-OE1 3.37Å; Q198-E200 HydrophobicContact CG-CG 4.27Å; Q198-E200 PolarHBondContact NE2-OE1 3.04Å; Q198-E200 VanDerWaalsContact NE2-OE1 3.15Å |
| 201 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.1 | 172.5 | -71.9 | 165.3 | 0 | 0 | 0 | 109.2 | M39 L145 Y176 V178 P180 L210 | M39-L201 PolarHBondContact N-O 3.48Å; M39-L201 PolarHBondContact O-N 3.08Å; L145-L201 HydrophobicContact CD1-CD1 4.07Å; L145-L201 HydrophobicContact CD2-CD1 4.11Å; Y176-L201 HydrophobicContact CD2-CD1 3.91Å; Y176-L201 HydrophobicContact CD2-CD2 3.86Å; Y176-L201 HydrophobicContact CE2-CD1 3.72Å; Y176-L201 HydrophobicContact CE2-CD2 4.43Å; Y176-L201 HydrophobicContact CG-CD1 4.4Å; Y176-L201 HydrophobicContact CG-CD2 4.32Å; V178-L201 HydrophobicContact CG2-CD2 4.09Å; P180-L201 HydrophobicContact CB-CD2 3.9Å; L201-L210 HydrophobicContact CB-CD2 4.02Å; L201-L210 HydrophobicContact CD1-CD2 4.38Å; L201-L210 HydrophobicContact CD2-CD2 4.17Å; L201-L210 HydrophobicContact CG-CD2 4.43Å |
| 202 | C | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 145.1 | 178.7 | -70 | 0 | 0 | 0 | 0 | 112.2 | K36 L37 Q211 C213 | K36-C202 HydrophobicContact CD-CB 4.09Å; L37-C202 CarbonylContact O-C 3.41Å; L37-C202 VanDerWaalsContact O-CA 3.31Å; L37-C202 WeakPolarHBondContact O-CA 3.4Å; C202-Q211 HydrophobicContact CB-CG 4.14Å; C202-Q211 WeakPolarHBondContact CB-O 3.4Å; C202-Q211 PolarHBondContact O-N 2.67Å; C202-Q211 VanDerWaalsContact O-O 3.07Å; C202-C213 HydrophobicContact CB-CB 3.96Å; C202-C213 WeakPolarHBondContact CB-SG 3.39Å; C202-C213 WeakPolarHBondContact SG-CA 3.1Å; C202-C213 WeakPolarHBondContact SG-CB 3.46Å; C202-C213 CovalentContact SG-SG 2.03Å; C202-C213 PolarHBondContact SG-SG 2.89Å |
| 203 | L | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.9 | -175.5 | -54.6 | 173.1 | 0 | 0 | 0 | 110.3 | K36 L37 M39 L67 L141 Q208 Q209 L210 | K36-L203 WeakPolarHBondContact CA-O 3.37Å; K36-L203 WeakPolarHBondContact CB-O 3.35Å; L37-L203 HydrophobicContact CB-CB 4.14Å; L37-L203 PolarHBondContact N-O 2.98Å; L37-L203 PolarHBondContact O-N 2.65Å; M39-L203 HydrophobicContact CB-CD1 3.88Å; M39-L203 HydrophobicContact CB-CG 4.45Å; L67-L203 HydrophobicContact CD1-CD1 3.99Å; L141-L203 HydrophobicContact CD1-CD1 3.63Å; L141-L203 HydrophobicContact CD2-CD1 3.87Å; L141-L203 HydrophobicContact CG-CD1 4.32Å; L203-Q208 HydrophobicContact CB-CB 4.38Å; L203-Q208 HydrophobicContact CD1-CB 4.28Å; L203-Q209 CarbonylContact C-O 3.25Å; L203-Q209 WeakPolarHBondContact CA-O 3.48Å; L203-L210 HydrophobicContact CD2-CD2 3.9Å; L203-L210 HydrophobicContact CD2-CG 4.18Å |
| 204 | T | 98.3 | Very high | 96.6 | Very high | 41 Ų | 41 | 36.9 Ų | 36.9 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 144.9 | 174.6 | 62.1 | 0 | 0 | 0 | 0 | 110.5 | Q206 Q208 Q209 Q211 | T204-Q206 PolarHBondContact O-N 3.13Å; T204-Q208 VanDerWaalsContact O-CA 3.23Å; T204-Q208 WeakPolarHBondContact O-CA 2.98Å; T204-Q208 PolarHBondContact O-N 2.89Å; T204-Q208 VanDerWaalsContact O-N 3.1Å; T204-Q208 PolarHBondContact OG1-N 3.4Å; T204-Q209 HydrophobicContact CG2-CB 4.41Å; T204-Q209 PolarHBondContact N-O 2.89Å; T204-Q209 PolarHBondContact OG1-N 2.96Å; T204-Q211 VanDerWaalsContact CA-OE1 3.26Å; T204-Q211 HydrophobicContact CG2-CB 4.19Å; T204-Q211 HydrophobicContact CG2-CG 4.28Å |
| 205 | K | 97.3 | Very high | 95.2 | Very high | 37 Ų | 37 | 41.2 Ų | 41.2 | 16% | 0.161 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -50.9 | -175.7 | 174.2 | 158.9 | -169.4 | 171.6 | 0 | 113 | W34 K35 V125 Q208 | W34-K205 HydrophobicContact CD2-CD 4.17Å; W34-K205 HydrophobicContact CE3-CB 4.5Å; W34-K205 HydrophobicContact CE3-CD 3.81Å; W34-K205 HydrophobicContact CE3-CG 4.13Å; W34-K205 HydrophobicContact CH2-CB 4.32Å; W34-K205 HydrophobicContact CH2-CD 3.92Å; W34-K205 HydrophobicContact CH2-CG 3.56Å; W34-K205 HydrophobicContact CZ2-CD 4.24Å; W34-K205 HydrophobicContact CZ2-CG 4.26Å; W34-K205 HydrophobicContact CZ3-CB 3.8Å; W34-K205 HydrophobicContact CZ3-CD 3.65Å; W34-K205 HydrophobicContact CZ3-CG 3.44Å; W34-K205 VanDerWaalsContact CZ3-CG 3.44Å; W34-K205 WeakPolarHBondContact O-CD 3.03Å; W34-K205 PolarHBondContact O-NZ 3.2Å; K35-K205 WeakPolarHBondContact O-CB 3.45Å; V125-K205 HydrophobicContact CG2-CD 4.45Å; V125-K205 HydrophobicContact CG2-CG 3.6Å; V125-K205 WeakPolarHBondContact CG2-O 3.42Å; K205-Q208 PolarHBondContact O-NE2 3.32Å |
| 206 | Q | 96 | Very high | 93.1 | Very high | 108 Ų | 108 | 47.5 Ų | 47.5 | 51% | 0.505 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -44.6 | -168.1 | -62.1 | -60 | -19 | 0 | 0 | 114.2 | T204 Q208 | T204-Q206 PolarHBondContact O-N 3.13Å; Q206-Q208 PolarHBondContact O-NE2 3.07Å |
| 207 | D | 96.1 | Very high | 90.8 | Very high | 109 Ų | 109 | 51 Ų | 51 | 58% | 0.583 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | 1 | -171.6 | -53.4 | -46.3 | 0 | 0 | 0 | 113.4 | Q209 | D207-Q209 HydrophobicContact CB-CG 4.03Å; D207-Q209 PolarHBondContact O-N 3.05Å; D207-Q209 PolarHBondContact O-NE2 3.21Å; D207-Q209 VanDerWaalsContact O-NE2 3.16Å |
| 208 | Q | 98.2 | Very high | 88.8 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | trans | 51.5 | 39.6 | 179.7 | -57.2 | 80.8 | 58.1 | 0 | 0 | 113.2 | L37 L141 L203 T204 K205 Q206 | L37-Q208 HydrophobicContact CD1-CG 3.7Å; L141-Q208 HydrophobicContact CD1-CB 4.14Å; L141-Q208 HydrophobicContact CD1-CG 4.36Å; L141-Q208 HydrophobicContact CD2-CB 4.03Å; L203-Q208 HydrophobicContact CB-CB 4.38Å; L203-Q208 HydrophobicContact CD1-CB 4.28Å; T204-Q208 VanDerWaalsContact O-CA 3.23Å; T204-Q208 WeakPolarHBondContact O-CA 2.98Å; T204-Q208 PolarHBondContact O-N 2.89Å; T204-Q208 VanDerWaalsContact O-N 3.1Å; T204-Q208 PolarHBondContact OG1-N 3.4Å; K205-Q208 PolarHBondContact O-NE2 3.32Å; Q206-Q208 PolarHBondContact O-NE2 3.07Å | ||
| 209 | Q | 98.4 | Very high | 86.3 | Confident | 112 Ų | 112 | 61 Ų | 61 | 52% | 0.523 | 34% | 0.337 | S | S | . | . | trans | -86.7 | 148.2 | 174.9 | -61.6 | -57.9 | -48.8 | 0 | 0 | 110.3 | L203 T204 D207 Q211 | L203-Q209 CarbonylContact C-O 3.25Å; L203-Q209 WeakPolarHBondContact CA-O 3.48Å; T204-Q209 HydrophobicContact CG2-CB 4.41Å; T204-Q209 PolarHBondContact N-O 2.89Å; T204-Q209 PolarHBondContact OG1-N 2.96Å; D207-Q209 HydrophobicContact CB-CG 4.03Å; D207-Q209 PolarHBondContact O-N 3.05Å; D207-Q209 PolarHBondContact O-NE2 3.21Å; D207-Q209 VanDerWaalsContact O-NE2 3.16Å; Q209-Q211 PolarHBondContact O-N 3.14Å | ||
| 210 | L | 98.5 | Very high | 83.8 | Confident | 58 Ų | 58 | 64 Ų | 64 | 30% | 0.304 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 133 | 179.3 | -75.8 | 161.8 | 0 | 0 | 0 | 112.1 | L145 Y176 V178 L201 L203 | L145-L210 HydrophobicContact CD2-CD1 3.95Å; L145-L210 HydrophobicContact CD2-CD2 3.9Å; L145-L210 HydrophobicContact CD2-CG 4.13Å; Y176-L210 HydrophobicContact CD1-CD1 3.89Å; Y176-L210 HydrophobicContact CG-CD1 4.26Å; V178-L210 HydrophobicContact CG1-CB 4.15Å; V178-L210 HydrophobicContact CG2-CB 4.13Å; V178-L210 HydrophobicContact CG2-CD2 3.85Å; V178-L210 HydrophobicContact CG2-CG 4.47Å; L201-L210 HydrophobicContact CB-CD2 4.02Å; L201-L210 HydrophobicContact CD1-CD2 4.38Å; L201-L210 HydrophobicContact CD2-CD2 4.17Å; L201-L210 HydrophobicContact CG-CD2 4.43Å; L203-L210 HydrophobicContact CD2-CD2 3.9Å; L203-L210 HydrophobicContact CD2-CG 4.18Å |
| 211 | Q | 97.2 | Very high | 81.2 | Confident | 44 Ų | 44 | 65.3 Ų | 65.3 | 21% | 0.206 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 162.3 | 170.7 | 63.7 | 162.8 | 87.7 | 0 | 0 | 110.9 | C202 T204 Q209 | C202-Q211 HydrophobicContact CB-CG 4.14Å; C202-Q211 WeakPolarHBondContact CB-O 3.4Å; C202-Q211 PolarHBondContact O-N 2.67Å; C202-Q211 VanDerWaalsContact O-O 3.07Å; T204-Q211 VanDerWaalsContact CA-OE1 3.26Å; T204-Q211 HydrophobicContact CG2-CB 4.19Å; T204-Q211 HydrophobicContact CG2-CG 4.28Å; Q209-Q211 PolarHBondContact O-N 3.14Å |
| 212 | N | 95.6 | Very high | 78.4 | Confident | 72 Ų | 72 | 70.4 Ų | 70.4 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | trans | -65.3 | 145.9 | 170 | -71.9 | -53.7 | 0 | 0 | 0 | 111 | V178 I179 | V178-N212 WeakPolarHBondContact CA-OD1 3.15Å; I179-N212 PolarHBondContact N-OD1 3.35Å | ||
| 213 | C | 88.4 | Confident | 75.9 | Confident | 24 Ų | 24 | 77.9 Ų | 77.9 | 16% | 0.162 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -75.6 | -25.3 | 177.7 | -70.1 | 0 | 0 | 0 | 0 | 113.7 | K36 C202 | K36-C213 WeakPolarHBondContact CE-O 3.47Å; K36-C213 PolarHBondContact NZ-O 2.74Å; C202-C213 HydrophobicContact CB-CB 3.96Å; C202-C213 WeakPolarHBondContact CB-SG 3.39Å; C202-C213 WeakPolarHBondContact SG-CA 3.1Å; C202-C213 WeakPolarHBondContact SG-CB 3.46Å; C202-C213 CovalentContact SG-SG 2.03Å; C202-C213 PolarHBondContact SG-SG 2.89Å |
| 214 | T | 84.1 | Confident | 73.3 | Confident | 110 Ų | 110 | 80.9 Ų | 80.9 | 68% | 0.675 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -112.9 | 130.5 | 175.4 | 47.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 215 | E | 66.4 | Low | 70.3 | Confident | 111 Ų | 111 | 84.6 Ų | 84.6 | 52% | 0.519 | 46% | 0.461 | S | S | . | . | trans | -83.7 | 143.4 | 166 | -67.4 | -170.6 | 179.7 | 0 | 0 | 109.7 | G217 E218 | E215-G217 PolarHBondContact O-N 3.47Å; E215-E218 HydrophobicContact CB-CB 4.31Å; E215-E218 PolarHBondContact O-N 2.81Å; E215-E218 VanDerWaalsContact O-N 3.1Å | ||
| 216 | P | 53.3 | Low | 67.2 | Low | 143 Ų | 143 | 85.2 Ų | 85.2 | 93% | 0.929 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 110.8 | 171.7 | -20.8 | 31.5 | 0 | 0 | 0 | 110.4 | ||
| 217 | G | 51.4 | Low | 64.3 | Low | 74 Ų | 74 | 86.4 Ų | 86.4 | 76% | 0.763 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.1 | 2.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | E215 Q219 | E215-G217 PolarHBondContact O-N 3.47Å; G217-Q219 PolarHBondContact O-N 2.83Å |
| 218 | E | 54.5 | Low | 61.6 | Low | 56 Ų | 56 | 87.5 Ų | 87.5 | 26% | 0.262 | 48% | 0.478 | S | S | . | . | trans | -74.1 | 105.1 | 172.8 | -166 | 169.5 | -162.2 | 0 | 0 | 110.4 | K71 E215 | K71-E218 IonicContact NZ-OE1 2.76Å; K71-E218 PolarHBondContact NZ-OE1 2.85Å; E215-E218 HydrophobicContact CB-CB 4.31Å; E215-E218 PolarHBondContact O-N 2.81Å; E215-E218 VanDerWaalsContact O-N 3.1Å | ||
| 219 | Q | 46 | Very low | 58.4 | Low | 161 Ų | 161 | 90.8 Ų | 90.8 | 75% | 0.752 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 140.5 | 169.1 | -69.7 | -70 | -48 | 0 | 0 | 109.5 | G217 S221 | G217-Q219 PolarHBondContact O-N 2.83Å; Q219-S221 PolarHBondContact O-N 3.47Å |
| 220 | P | 46.1 | Very low | 55.3 | Low | 64 Ų | 64 | 91.6 Ų | 91.6 | 42% | 0.416 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 128.1 | 172.2 | -18.8 | 30 | 0 | 0 | 0 | 109.4 | Q224 E225 | P220-Q224 HydrophobicContact CB-CB 4.13Å; P220-E225 HydrophobicContact CB-CG 4.21Å |
| 221 | S | 44.6 | Very low | 52.3 | Low | 36 Ų | 36 | 89.6 Ų | 89.6 | 25% | 0.252 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 153.5 | 168.5 | 64.3 | 0 | 0 | 0 | 0 | 109.8 | Q219 K223 Q224 E225 | Q219-S221 PolarHBondContact O-N 3.47Å; S221-K223 PolarHBondContact O-N 3.03Å; S221-Q224 WeakPolarHBondContact O-CA 3.17Å; S221-Q224 WeakPolarHBondContact O-CB 3.05Å; S221-Q224 PolarHBondContact O-N 2.02Å; S221-Q224 PolarHBondContact OG-N 3.49Å; S221-Q224 PolarHBondContact OG-OE1 2.75Å; S221-E225 PolarHBondContact O-N 3.21Å; S221-E225 VanDerWaalsContact O-N 3.08Å |
| 222 | P | 39.5 | Very low | 49.5 | Very low | 106 Ų | 106 | 93.4 Ų | 93.4 | 69% | 0.688 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -55.7 | -23.1 | 173.9 | -27.2 | 34.8 | 0 | 0 | 0 | 113.6 | A226 | P222-A226 WeakPolarHBondContact O-CB 3.37Å; P222-A226 PolarHBondContact O-N 2.89Å |
| 223 | K | 46.2 | Very low | 47 | Very low | 159 Ų | 159 | 95.7 Ų | 95.7 | 69% | 0.691 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74 | -33.8 | 170.6 | -73.3 | -172.7 | 175.7 | -174.2 | 0 | 113.1 | S221 A226 W227 | S221-K223 PolarHBondContact O-N 3.03Å; K223-A226 PolarHBondContact O-N 3.29Å; K223-W227 WeakPolarHBondContact O-CB 3.45Å; K223-W227 PolarHBondContact O-N 3.27Å |
| 224 | Q | 42.6 | Very low | 45.2 | Very low | 64 Ų | 64 | 99.7 Ų | 99.7 | 30% | 0.299 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.9 | -36.5 | 172.2 | -78.3 | 164.6 | -71.2 | 0 | 0 | 111.6 | P220 S221 W227 L228 | P220-Q224 HydrophobicContact CB-CB 4.13Å; S221-Q224 WeakPolarHBondContact O-CA 3.17Å; S221-Q224 WeakPolarHBondContact O-CB 3.05Å; S221-Q224 PolarHBondContact O-N 2.02Å; S221-Q224 PolarHBondContact OG-N 3.49Å; S221-Q224 PolarHBondContact OG-OE1 2.75Å; Q224-W227 PolarHBondContact O-N 3.33Å; Q224-L228 WeakPolarHBondContact O-CB 3.46Å; Q224-L228 WeakPolarHBondContact O-CD1 3.41Å; Q224-L228 WeakPolarHBondContact O-CG 3.4Å; Q224-L228 PolarHBondContact O-N 3.34Å |
| 225 | E | 36.3 | Very low | 44.2 | Very low | 119 Ų | 119 | 96 Ų | 96 | 56% | 0.556 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.2 | -41.1 | 171 | -69.6 | -178.4 | 154.5 | 0 | 0 | 111.7 | P220 S221 L228 A229 | P220-E225 HydrophobicContact CB-CG 4.21Å; S221-E225 PolarHBondContact O-N 3.21Å; S221-E225 VanDerWaalsContact O-N 3.08Å; E225-L228 PolarHBondContact O-N 3.22Å; E225-A229 WeakPolarHBondContact O-CB 3.17Å; E225-A229 PolarHBondContact O-N 2.94Å |
| 226 | A | 31.9 | Very low | 44.9 | Very low | 51 Ų | 51 | 94.3 Ų | 94.3 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P222 K223 A229 D230 | P222-A226 WeakPolarHBondContact O-CB 3.37Å; P222-A226 PolarHBondContact O-N 2.89Å; K223-A226 PolarHBondContact O-N 3.29Å; A226-A229 PolarHBondContact O-N 3.01Å; A226-D230 WeakPolarHBondContact O-CA 3.48Å; A226-D230 WeakPolarHBondContact O-CB 3.46Å; A226-D230 PolarHBondContact O-N 2.93Å |
| 227 | W | 35.9 | Very low | 46.6 | Very low | 133 Ų | 133 | 88.4 Ų | 88.4 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 172.2 | -87.4 | 47.7 | 0 | 0 | 0 | 113.1 | E73 K223 Q224 A229 G231 | E73-W227 HydrophobicContact CG-CH2 4.47Å; E73-W227 HydrophobicContact CG-CZ2 4.44Å; E73-W227 WeakPolarHBondContact OE1-CH2 3.04Å; K223-W227 WeakPolarHBondContact O-CB 3.45Å; K223-W227 PolarHBondContact O-N 3.27Å; Q224-W227 PolarHBondContact O-N 3.33Å; W227-A229 VanDerWaalsContact C-N 3.28Å; W227-G231 WeakPolarHBondContact O-CA 3.2Å; W227-G231 PolarHBondContact O-N 2.8Å |
| 228 | L | 37.6 | Very low | 48.5 | Very low | 132 Ų | 132 | 85.5 Ų | 85.5 | 69% | 0.691 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -70 | -27 | 173.8 | -72.6 | 163.9 | 0 | 0 | 0 | 111.9 | Q224 E225 | Q224-L228 WeakPolarHBondContact O-CB 3.46Å; Q224-L228 WeakPolarHBondContact O-CD1 3.41Å; Q224-L228 WeakPolarHBondContact O-CG 3.4Å; Q224-L228 PolarHBondContact O-N 3.34Å; E225-L228 PolarHBondContact O-N 3.22Å |
| 229 | A | 31.1 | Very low | 50.4 | Low | 77 Ų | 77 | 86.6 Ų | 86.6 | 64% | 0.636 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -92.9 | -28.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E225 A226 W227 | E225-A229 WeakPolarHBondContact O-CB 3.17Å; E225-A229 PolarHBondContact O-N 2.94Å; A226-A229 PolarHBondContact O-N 3.01Å; W227-A229 VanDerWaalsContact C-N 3.28Å |
| 230 | D | 34.1 | Very low | 52.8 | Low | 130 Ų | 130 | 82.8 Ų | 82.8 | 70% | 0.695 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -116.1 | -8.9 | -172.1 | -138.1 | 15.2 | 0 | 0 | 0 | 111.9 | A226 E232 | A226-D230 WeakPolarHBondContact O-CA 3.48Å; A226-D230 WeakPolarHBondContact O-CB 3.46Å; A226-D230 PolarHBondContact O-N 2.93Å; D230-E232 PolarHBondContact O-N 2.87Å |
| 231 | G | 35.5 | Very low | 55.2 | Low | 15 Ų | 15 | 80.2 Ų | 80.2 | 16% | 0.155 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | W227 T233 E234 S235 | W227-G231 WeakPolarHBondContact O-CA 3.2Å; W227-G231 PolarHBondContact O-N 2.8Å; G231-T233 VanDerWaalsContact C-N 3.28Å; G231-T233 PolarHBondContact O-N 2.76Å; G231-E234 PolarHBondContact O-N 2.99Å; G231-S235 VanDerWaalsContact O-CB 3.29Å; G231-S235 WeakPolarHBondContact O-CB 3.27Å; G231-S235 PolarHBondContact O-N 3.42Å; G231-S235 PolarHBondContact O-OG 2.94Å |
| 232 | E | 37.8 | Very low | 57.7 | Low | 124 Ų | 124 | 85.2 Ų | 85.2 | 58% | 0.579 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -36.5 | -179.1 | -59 | -142.8 | 114.4 | 0 | 0 | 112.7 | D230 G237 R239 | D230-E232 PolarHBondContact O-N 2.87Å; E232-G237 PolarHBondContact O-N 2.56Å; E232-R239 VanDerWaalsContact CA-NH2 3.31Å; E232-R239 IonicContact OE1-CZ 3.71Å; E232-R239 IonicContact OE1-NE 2.71Å; E232-R239 IonicContact OE1-NH2 3.79Å; E232-R239 PolarHBondContact OE1-NH2 2.97Å |
| 233 | T | 42.7 | Very low | 60.4 | Low | 120 Ų | 120 | 86.4 Ų | 86.4 | 74% | 0.736 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -33.1 | 179.3 | 19.6 | 0 | 0 | 0 | 0 | 113.3 | G231 | G231-T233 VanDerWaalsContact C-N 3.28Å; G231-T233 PolarHBondContact O-N 2.76Å |
| 234 | E | 51.9 | Low | 62.9 | Low | 109 Ų | 109 | 79.7 Ų | 79.7 | 51% | 0.509 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -36.9 | -178.8 | -69.6 | -155.2 | 141 | 0 | 0 | 113.6 | K117 G231 R236 | K117-E234 IonicContact NZ-OE1 3.19Å; K117-E234 PolarHBondContact NZ-OE1 2.99Å; K117-E234 IonicContact NZ-OE2 3.87Å; K117-E234 PolarHBondContact NZ-OE2 2.84Å; G231-E234 PolarHBondContact O-N 2.99Å; E234-R236 PolarHBondContact O-N 3.33Å |
| 235 | S | 63.5 | Low | 65.5 | Low | 33 Ų | 33 | 79.5 Ų | 79.5 | 23% | 0.231 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.5 | 173.8 | 63.7 | 0 | 0 | 0 | 0 | 113.4 | G231 G237 L238 R239 | G231-S235 VanDerWaalsContact O-CB 3.29Å; G231-S235 WeakPolarHBondContact O-CB 3.27Å; G231-S235 PolarHBondContact O-N 3.42Å; G231-S235 PolarHBondContact O-OG 2.94Å; S235-G237 PolarHBondContact O-N 3.19Å; S235-L238 VanDerWaalsContact CB-O 3.28Å; S235-L238 WeakPolarHBondContact CB-O 3.42Å; S235-L238 VanDerWaalsContact O-CB 3.31Å; S235-L238 WeakPolarHBondContact O-CB 3.48Å; S235-L238 PolarHBondContact O-N 2.61Å; S235-L238 PolarHBondContact OG-O 3.18Å; S235-L238 VanDerWaalsContact OG-O 3.13Å; S235-R239 PolarHBondContact OG-NH1 3.44Å |
| 236 | R | 80.9 | Confident | 68.5 | Low | 74 Ų | 74 | 73.9 Ų | 73.9 | 28% | 0.279 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 43.6 | -178 | -55.4 | 178 | 89.8 | 151.3 | -2 | 112.3 | E49 I101 H102 E234 | E49-R236 IonicContact OE1-CZ 3.38Å; E49-R236 IonicContact OE1-NE 3.06Å; E49-R236 PolarHBondContact OE1-NE 2.98Å; E49-R236 IonicContact OE1-NH2 3.96Å; E49-R236 PolarHBondContact OE1-NH2 2.79Å; E49-R236 IonicContact OE2-CZ 2.61Å; E49-R236 IonicContact OE2-NE 2.76Å; E49-R236 IonicContact OE2-NH2 3.04Å; E49-R236 PolarHBondContact OE2-NH2 3.08Å; I101-R236 VanDerWaalsContact CG2-CZ 3.45Å; I101-R236 PolarHBondContact O-NH1 3.36Å; I101-R236 PolarHBondContact O-NH2 2.88Å; H102-R236 PolarHBondContact CD2-NH1 3.07Å; H102-R236 PolarHBondContact CE1-NH1 3.09Å; H102-R236 VanDerWaalsContact CG-NH1 3.3Å; H102-R236 PolarHBondContact ND1-NH1 3.27Å; H102-R236 PolarHBondContact NE2-NH1 3.49Å; E234-R236 PolarHBondContact O-N 3.33Å |
| 237 | G | 87.8 | Confident | 71.6 | Confident | 19 Ų | 19 | 73.7 Ų | 73.7 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -7.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | P186 E232 S235 R239 | P186-G237 WeakPolarHBondContact CD-O 3.32Å; E232-G237 PolarHBondContact O-N 2.56Å; S235-G237 PolarHBondContact O-N 3.19Å; G237-R239 PolarHBondContact O-N 2.86Å |
| 238 | L | 92.6 | Very high | 74.6 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | trans | -66.9 | 128 | 174.4 | -71 | 168.4 | 0 | 0 | 0 | 110.7 | V47 Q183 C184 L185 Q198 S235 | V47-L238 HydrophobicContact CG1-CD1 4.18Å; Q183-L238 HydrophobicContact CB-CB 4.26Å; Q183-L238 HydrophobicContact CB-CD2 4.47Å; C184-L238 WeakPolarHBondContact O-CA 3.29Å; L185-L238 HydrophobicContact CD2-CD2 3.89Å; L185-L238 HydrophobicContact CD2-CG 4.03Å; L185-L238 HydrophobicContact CG-CD2 3.98Å; Q198-L238 HydrophobicContact CB-CD1 3.86Å; S235-L238 VanDerWaalsContact CB-O 3.28Å; S235-L238 WeakPolarHBondContact CB-O 3.42Å; S235-L238 VanDerWaalsContact O-CB 3.31Å; S235-L238 WeakPolarHBondContact O-CB 3.48Å; S235-L238 PolarHBondContact O-N 2.61Å; S235-L238 PolarHBondContact OG-O 3.18Å; S235-L238 VanDerWaalsContact OG-O 3.13Å | ||
| 239 | R | 94.4 | Very high | 77.3 | Confident | 79 Ų | 79 | 61.9 Ų | 61.9 | 30% | 0.298 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 164 | 173.7 | -59.7 | -66.1 | 177.7 | -80.3 | -12.8 | 109.1 | Q183 C184 E232 S235 G237 C241 | Q183-R239 CarbonylContact C-O 3.51Å; Q183-R239 WeakPolarHBondContact CA-O 3.42Å; Q183-R239 WeakPolarHBondContact CB-O 2.94Å; C184-R239 PolarHBondContact N-O 2.85Å; C184-R239 PolarHBondContact O-N 3.1Å; E232-R239 VanDerWaalsContact CA-NH2 3.31Å; E232-R239 IonicContact OE1-CZ 3.71Å; E232-R239 IonicContact OE1-NE 2.71Å; E232-R239 IonicContact OE1-NH2 3.79Å; E232-R239 PolarHBondContact OE1-NH2 2.97Å; S235-R239 PolarHBondContact OG-NH1 3.44Å; G237-R239 PolarHBondContact O-N 2.86Å; R239-C241 PolarHBondContact O-N 3.44Å |
| 240 | V | 95.6 | Very high | 80.3 | Confident | 82 Ų | 82 | 60.6 Ų | 60.6 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 131.6 | 170.4 | 177.3 | 0 | 0 | 0 | 0 | 107.9 | K181 E242 | K181-V240 HydrophobicContact CD-CG2 4.3Å; K181-V240 HydrophobicContact CG-CG2 4.47Å; V240-E242 PolarHBondContact O-N 3.3Å |
| 241 | C | 96.7 | Very high | 82.6 | Confident | 9 Ų | 9 | 55.9 Ų | 55.9 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 134.5 | 178.8 | -57.4 | 0 | 0 | 0 | 0 | 109.9 | V165 I182 C184 R239 | V165-C241 HydrophobicContact CG1-CB 4.02Å; V165-C241 HydrophobicContact CG2-CB 3.76Å; I182-C241 VanDerWaalsContact CG2-SG 3.51Å; I182-C241 PolarHBondContact O-N 3.42Å; C184-C241 HydrophobicContact CB-CB 3.95Å; C184-C241 WeakPolarHBondContact CB-SG 3.46Å; C184-C241 PolarHBondContact N-SG 3.35Å; C184-C241 WeakPolarHBondContact SG-CB 3.49Å; C184-C241 CovalentContact SG-SG 2.03Å; C184-C241 PolarHBondContact SG-SG 3.01Å; R239-C241 PolarHBondContact O-N 3.44Å |
| 242 | E | 96.8 | Very high | 84.4 | Confident | 142 Ų | 142 | 61.9 Ų | 61.9 | 66% | 0.664 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 147.8 | 172.4 | -64.7 | -62.2 | 159.6 | 0 | 0 | 109.9 | V165 Q194 V240 G244 | V165-E242 VanDerWaalsContact CG2-O 3.26Å; V165-E242 WeakPolarHBondContact CG2-O 3.28Å; Q194-E242 PolarHBondContact NE2-O 3.25Å; V240-E242 PolarHBondContact O-N 3.3Å; E242-G244 PolarHBondContact O-N 3.2Å |
| 243 | D | 97.3 | Very high | 85.4 | Confident | 131 Ų | 131 | 64.9 Ų | 64.9 | 70% | 0.701 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -61.3 | 133.9 | 173 | -71.8 | -28.5 | 0 | 0 | 0 | 109.9 | ||
| 244 | G | 97.6 | Very high | 86 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 132.7 | -159.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q164 V165 E242 | Q164-G244 CarbonylContact C-O 3.48Å; Q164-G244 WeakPolarHBondContact CA-O 3.3Å; Q164-G244 VanDerWaalsContact OE1-CA 3.26Å; Q164-G244 PolarHBondContact OE1-O 3.06Å; V165-G244 PolarHBondContact N-O 3.49Å; E242-G244 PolarHBondContact O-N 3.2Å |
| 245 | P | 98.3 | Very high | 85.8 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 39% | 0.39 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 141.3 | 179.6 | -23.4 | 34.2 | 0 | 0 | 0 | 112.7 | Y163 V193 Q194 | Y163-P245 CarbonylContact O-C 3.56Å; Y163-P245 VanDerWaalsContact O-CA 3.29Å; Y163-P245 WeakPolarHBondContact O-CA 3.46Å; V193-P245 HydrophobicContact CB-CB 4.4Å; V193-P245 HydrophobicContact CG1-CB 3.76Å; Q194-P245 PolarHBondContact NE2-O 2.87Å |
| 246 | V | 98.4 | Very high | 84.9 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 137.2 | 174.6 | 61.8 | 0 | 0 | 0 | 0 | 110.5 | Y163 V165 F168 Q194 V196 | Y163-V246 PolarHBondContact N-O 3.4Å; Y163-V246 PolarHBondContact O-N 2.99Å; V165-V246 HydrophobicContact CG2-CB 3.78Å; V165-V246 HydrophobicContact CG2-CG1 3.84Å; V165-V246 HydrophobicContact CG2-CG2 4.45Å; F168-V246 HydrophobicContact CD2-CG1 4.33Å; F168-V246 HydrophobicContact CE2-CG1 4.19Å; Q194-V246 HydrophobicContact CG-CB 4.16Å; Q194-V246 HydrophobicContact CG-CG2 4.06Å; Q194-V246 WeakPolarHBondContact O-CA 3.5Å; V196-V246 HydrophobicContact CB-CG2 3.72Å |
| 247 | F | 97.9 | Very high | 85.1 | Confident | 47 Ų | 47 | 76.1 Ų | 76.1 | 21% | 0.206 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 130.3 | 174.1 | -176.5 | -138.3 | 0 | 0 | 0 | 110.8 | S159 Y162 V193 Q194 T195 V196 P249 | S159-F247 VanDerWaalsContact O-CE2 3.23Å; S159-F247 WeakPolarHBondContact O-CE2 3.29Å; Y162-F247 HydrophobicContact CD1-CB 4.01Å; Y162-F247 AromaticContact CD1-CD2 3.96Å; Y162-F247 HydrophobicContact CD1-CD2 3.96Å; Y162-F247 HydrophobicContact CD1-CG 4.36Å; Y162-F247 HydrophobicContact CE1-CB 4.04Å; Y162-F247 AromaticContact CE1-CD2 3.9Å; Y162-F247 HydrophobicContact CE1-CD2 3.9Å; Y162-F247 HydrophobicContact CE1-CG 4.16Å; V193-F247 HydrophobicContact CG2-CB 3.78Å; Q194-F247 PolarHBondContact O-N 3.25Å; T195-F247 WeakPolarHBondContact CA-O 3.16Å; T195-F247 HydrophobicContact CG2-CD1 4.12Å; V196-F247 PolarHBondContact N-O 3.46Å; F247-P249 HydrophobicContact CD1-CB 4.09Å; F247-P249 HydrophobicContact CE1-CB 3.56Å; F247-P249 HydrophobicContact CE1-CG 4.5Å; F247-P249 HydrophobicContact CZ-CB 3.83Å |
| 248 | Y | 97.6 | Very high | 85 | Confident | 8 Ų | 8 | 79.1 Ų | 79.1 | 3% | 0.031 | 39% | 0.389 | C | S | . | . | trans | -113.7 | 91.9 | 172.6 | -178.5 | -155.7 | 0 | 0 | 0 | 109.4 | W43 W62 I156 K157 P158 S159 Y163 F168 V196 | W43-Y248 HydrophobicContact CD2-CD2 4.43Å; W43-Y248 AromaticContact CD2-CE2 3.5Å; W43-Y248 HydrophobicContact CD2-CE2 3.5Å; W43-Y248 AromaticContact CE2-CE2 3.48Å; W43-Y248 VanDerWaalsContact CE2-CE2 3.48Å; W43-Y248 AromaticContact CE3-CE2 3.82Å; W43-Y248 HydrophobicContact CE3-CE2 3.82Å; W43-Y248 HydrophobicContact CG-CD2 4.45Å; W43-Y248 AromaticContact CG-CE2 3.88Å; W43-Y248 HydrophobicContact CG-CE2 3.88Å; W43-Y248 HydrophobicContact CH2-CE2 4.15Å; W43-Y248 WeakPolarHBondContact CH2-OH 3.24Å; W43-Y248 AromaticContact CZ2-CE2 3.84Å; W43-Y248 HydrophobicContact CZ2-CE2 3.84Å; W43-Y248 HydrophobicContact CZ3-CE2 4.11Å; W43-Y248 WeakPolarHBondContact CZ3-OH 3.04Å; W43-Y248 AromaticContact NE1-CE2 3.77Å; W62-Y248 HydrophobicContact CZ2-CE2 4.12Å; W62-Y248 AromaticContact NE1-CZ 3.71Å; W62-Y248 PolarHBondContact NE1-OH 2.95Å; W62-Y248 VanDerWaalsContact NE1-OH 3.09Å; I156-Y248 HydrophobicContact CG2-CD1 4.37Å; I156-Y248 HydrophobicContact CG2-CE1 4.49Å; K157-Y248 WeakPolarHBondContact O-CD1 3.49Å; P158-Y248 WeakPolarHBondContact CA-O 3.15Å; P158-Y248 HydrophobicContact CB-CD1 4.49Å; P158-Y248 HydrophobicContact CB-CE1 4.36Å; P158-Y248 VanDerWaalsContact CD-CE1 3.42Å; P158-Y248 HydrophobicContact CG-CD1 4.4Å; P158-Y248 HydrophobicContact CG-CE1 3.79Å; P158-Y248 HydrophobicContact CG-CE2 4.04Å; S159-Y248 PolarHBondContact N-O 3.08Å; Y163-Y248 HydrophobicContact CE2-CD1 4.33Å; F168-Y248 HydrophobicContact CE1-CD1 4.34Å; F168-Y248 AromaticContact CZ-CD1 3.76Å; F168-Y248 HydrophobicContact CZ-CD1 3.76Å; F168-Y248 HydrophobicContact CZ-CE1 4.41Å; F168-Y248 AromaticContact CZ-CG 3.9Å; F168-Y248 HydrophobicContact CZ-CG 3.9Å; V196-Y248 HydrophobicContact CG1-CD2 3.64Å; V196-Y248 HydrophobicContact CG1-CE2 4.5Å; V196-Y248 HydrophobicContact CG1-CG 4.05Å | ||
| 249 | P | 95.3 | Very high | 84.6 | Confident | 10 Ų | 10 | 82.7 Ų | 82.7 | 7% | 0.065 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 129.4 | -161.7 | 25.1 | -32.5 | 0 | 0 | 0 | 112 | W43 E45 T46 T195 F247 | W43-P249 PolarHBondContact NE1-O 2.88Å; E45-P249 HydrophobicContact CB-CG 4.28Å; E45-P249 HydrophobicContact CG-CB 3.85Å; E45-P249 HydrophobicContact CG-CG 3.97Å; T46-P249 VanDerWaalsContact OG1-CG 3.32Å; T46-P249 WeakPolarHBondContact OG1-CG 3.32Å; T195-P249 HydrophobicContact CG2-CG 3.77Å; F247-P249 HydrophobicContact CD1-CB 4.09Å; F247-P249 HydrophobicContact CE1-CB 3.56Å; F247-P249 HydrophobicContact CE1-CG 4.5Å; F247-P249 HydrophobicContact CZ-CB 3.83Å |
| 250 | P | 93.5 | Very high | 84 | Confident | 50 Ų | 50 | 82.9 Ų | 82.9 | 33% | 0.325 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 137.4 | 165.1 | -19.8 | 31.7 | 0 | 0 | 0 | 110.8 | P158 K252 | P158-P250 HydrophobicContact CB-CB 4.23Å; P158-P250 HydrophobicContact CB-CG 4.32Å; P250-K252 PolarHBondContact O-N 3.17Å |
| 251 | P | 81.9 | Confident | 83.3 | Confident | 31 Ų | 31 | 83 Ų | 83 | 20% | 0.201 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 136 | 177.5 | -20.6 | 32.2 | 0 | 0 | 0 | 111.1 | W43 E45 D60 K253 | W43-P251 HydrophobicContact CH2-CG 4.26Å; W43-P251 HydrophobicContact CZ2-CG 3.76Å; E45-P251 WeakPolarHBondContact OE2-CA 3.38Å; D60-P251 HydrophobicContact CB-CB 4.38Å; D60-P251 HydrophobicContact CB-CG 3.59Å; P251-K253 PolarHBondContact O-N 2.66Å |
| 252 | K | 73.9 | Confident | 82.4 | Confident | 141 Ų | 141 | 87.9 Ų | 87.9 | 61% | 0.613 | 43% | 0.431 | S | S | * | . | trans | -68.1 | 106.7 | 177.1 | -74.5 | 173.7 | -172.6 | 114.9 | 0 | 109.4 | E45 P250 I254 | E45-K252 VanDerWaalsContact OE1-CD 3.23Å; E45-K252 WeakPolarHBondContact OE1-CD 3.28Å; E45-K252 VanDerWaalsContact OE1-CE 3.23Å; E45-K252 WeakPolarHBondContact OE1-CE 3.45Å; E45-K252 VanDerWaalsContact OE1-CG 3.24Å; E45-K252 WeakPolarHBondContact OE1-CG 3.38Å; E45-K252 IonicContact OE1-NZ 3.91Å; E45-K252 PolarHBondContact OE1-NZ 3.48Å; E45-K252 PolarHBondContact OE2-N 3.18Å; P250-K252 PolarHBondContact O-N 3.17Å; K252-I254 PolarHBondContact O-N 3.46Å | ||
| 253 | K | 59.3 | Low | 81.4 | Confident | 187 Ų | 187 | 84.1 Ų | 84.1 | 81% | 0.813 | 41% | 0.414 | S | S | * | . | trans | -76.3 | 104.2 | 167.5 | -66.5 | -171.5 | 179.9 | -174.3 | 0 | 108.9 | P251 K255 | P251-K253 PolarHBondContact O-N 2.66Å; K253-K255 PolarHBondContact O-N 2.96Å; K253-K255 VanDerWaalsContact O-N 3.13Å | ||
| 254 | I | 56.1 | Low | 80.1 | Confident | 76 Ų | 76 | 80.5 Ų | 80.5 | 39% | 0.39 | 39% | 0.392 | S | S | . | . | trans | -68.5 | 111.2 | 167.7 | -55.9 | -178.5 | 0 | 0 | 0 | 106.6 | I51 R56 K252 H256 | I51-I254 HydrophobicContact CG2-CD1 3.89Å; R56-I254 HydrophobicContact CG-CD1 4.48Å; R56-I254 VanDerWaalsContact O-CD1 3.25Å; R56-I254 WeakPolarHBondContact O-CD1 3.39Å; K252-I254 PolarHBondContact O-N 3.46Å; I254-H256 PolarHBondContact O-N 3.16Å | ||
| 255 | K | 46.2 | Very low | 78.7 | Confident | 201 Ų | 201 | 85.8 Ų | 85.8 | 87% | 0.874 | 41% | 0.41 | S | S | * | . | trans | -66.4 | 117.3 | 171.2 | -69.1 | -175.7 | 179.9 | 179.8 | 0 | 107.7 | K253 | K253-K255 PolarHBondContact O-N 2.96Å; K253-K255 VanDerWaalsContact O-N 3.13Å | ||
| 256 | H | 46 | Very low | 76.9 | Confident | 217 Ų | 217 | 88.1 Ų | 88.1 | 100% | 1.005 | 41% | 0.412 | S | S | * | . | trans | -72.6 | 0 | 166.6 | -68.4 | -51.7 | 0 | 0 | 0 | 111.1 | I254 | I254-H256 PolarHBondContact O-N 3.16Š|
Retrieved 256 of 256 residues in 370.2 ms
(Link to these results)