| 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 | 46.1 | Very low | 50.3 | Low | 237 Ų | 237 | 135.1 Ų | 135.1 | 100% | 1.167 | 79% | 0.788 | S | S | * | * | 0 | 138.7 | 0 | -72.7 | 172.6 | 170.3 | 0 | 0 | 106.5 | |||||
| 2 | S | 50.4 | Low | 49.4 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 67.2 | 138.9 | -168.1 | -39.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3 | L | 50.9 | Low | 48.6 | Very low | 152 Ų | 152 | 136 Ų | 136 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | cis | 65.9 | 131.9 | 38 | -56.9 | 157.3 | 0 | 0 | 0 | 111.6 | ||||
| 4 | S | 57.6 | Low | 48.2 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | cis | -174.5 | 145.8 | -6.8 | 44.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 5 | D | 55.3 | Low | 47.3 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | cis | -160.9 | -172.4 | -15.3 | -90.9 | -44.6 | 0 | 0 | 0 | 109.1 | ||||
| 6 | N | 57.5 | Low | 47 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -101.4 | 149.1 | -163.6 | -164.2 | 77.4 | 0 | 0 | 0 | 115 | ||||
| 7 | P | 54.2 | Low | 46.7 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 63% | 0.63 | 79% | 0.792 | S | S | * | * | trans | -89.8 | 163.7 | -179.7 | 36.6 | -37 | 0 | 0 | 0 | 113.8 | ||||
| 8 | N | 46.2 | Very low | 45.8 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -169.2 | 159.1 | 140.7 | -113.9 | -7 | 0 | 0 | 0 | 114.9 | ||||
| 9 | S | 44.1 | Very low | 45.1 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | -130 | 171 | 153.9 | 65.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 10 | P | 49.9 | Very low | 45.5 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | cis | -125.5 | -157.1 | -14.7 | 31.5 | -9.9 | 0 | 0 | 0 | 111.7 | ||||
| 11 | T | 41.1 | Very low | 45.3 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 85.9 | 151.5 | 165.6 | 68.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 12 | E | 39 | Very low | 45 | Very low | 188 Ų | 188 | 124.2 Ų | 124.2 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | 80.9 | 125.8 | 170.1 | -52.7 | -159.3 | 147.2 | 0 | 0 | 121.2 | ||||
| 13 | A | 39.4 | Very low | 44.5 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | 62.9 | 95.1 | 141.9 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 14 | E | 43.6 | Very low | 44.1 | Very low | 188 Ų | 188 | 125.8 Ų | 125.8 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -141.4 | 131.6 | 133.6 | -63.9 | -171.4 | 129 | 0 | 0 | 106.1 | ||||
| 15 | N | 34.2 | Very low | 43.4 | Very low | 150 Ų | 150 | 126.2 Ų | 126.2 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | cis | 61.6 | 90 | 10.9 | -168 | 37.8 | 0 | 0 | 0 | 117.5 | ||||
| 16 | S | 43.3 | Very low | 43.3 | Very low | 89 Ų | 89 | 122.1 Ų | 122.1 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | trans | -166.4 | 150.7 | 135.6 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 17 | N | 40.4 | Very low | 43.1 | Very low | 157 Ų | 157 | 119 Ų | 119 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | trans | 53.6 | 137.4 | 158.1 | -56.2 | -26.8 | 0 | 0 | 0 | 120.4 | ||||
| 18 | G | 31 | Very low | 43.1 | Very low | 75 Ų | 75 | 120.7 Ų | 120.7 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | cis | 113.5 | 122.1 | -0.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 19 | G | 33.5 | Very low | 43.9 | Very low | 75 Ų | 75 | 120.6 Ų | 120.6 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | 91 | 147.7 | -175 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 20 | V | 52.3 | Low | 45.3 | Very low | 132 Ų | 132 | 118.3 Ų | 118.3 | 80% | 0.8 | 70% | 0.704 | S | S | * | * | cis | -145.1 | 148.9 | -6.5 | -173.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 21 | P | 41.2 | Very low | 46.7 | Very low | 103 Ų | 103 | 117 Ų | 117 | 67% | 0.669 | 70% | 0.695 | S | S | * | * | trans | -55.4 | 146.3 | 173.2 | -26 | 36 | 0 | 0 | 0 | 112.5 | E23 | P21-E23 VanDerWaalsContact C-N 3.34Å; P21-E23 PolarHBondContact O-N 3.46Å | ||
| 22 | A | 39.3 | Very low | 48.7 | Very low | 109 Ų | 109 | 111.2 Ų | 111.2 | 90% | 0.901 | 66% | 0.661 | S | S | * | * | trans | -74.3 | 80.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N24 | A22-N24 PolarHBondContact O-N 3.25Š| ||
| 23 | E | 40.2 | Very low | 51.2 | Low | 153 Ų | 153 | 103.5 Ų | 103.5 | 72% | 0.715 | 63% | 0.625 | S | S | * | * | trans | -81.9 | 111.7 | -179.8 | -65.5 | -158.8 | 171 | 0 | 0 | 113.3 | P21 N25 | P21-E23 VanDerWaalsContact C-N 3.34Å; P21-E23 PolarHBondContact O-N 3.46Å; E23-N25 PolarHBondContact O-N 2.82Å; E23-N25 VanDerWaalsContact O-N 3.16Å | ||
| 24 | N | 42.2 | Very low | 53.8 | Low | 139 Ų | 139 | 99 Ų | 99 | 74% | 0.743 | 59% | 0.588 | S | S | * | * | trans | 61.2 | 29.3 | 139.2 | -59.7 | -47.4 | 0 | 0 | 0 | 120.2 | A22 D26 | A22-N24 PolarHBondContact O-N 3.25Å; N24-D26 PolarHBondContact O-N 3.29Å | ||
| 25 | N | 43.6 | Very low | 56.2 | Low | 105 Ų | 105 | 93.2 Ų | 93.2 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | trans | -79.6 | 34.7 | 165.9 | -158.8 | 14.5 | 0 | 0 | 0 | 113.9 | E23 S27 Q28 | E23-N25 PolarHBondContact O-N 2.82Å; E23-N25 VanDerWaalsContact O-N 3.16Å; N25-S27 PolarHBondContact O-N 3.43Å; N25-Q28 PolarHBondContact ND2-OE1 3.37Å | ||
| 26 | D | 53.1 | Low | 59 | Low | 64 Ų | 64 | 86.1 Ų | 86.1 | 34% | 0.342 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 33 | -177.3 | -163.2 | 47.8 | 0 | 0 | 0 | 112.3 | N24 K33 K110 | N24-D26 PolarHBondContact O-N 3.29Å; D26-K33 IonicContact OD1-NZ 3.12Å; D26-K33 PolarHBondContact OD1-NZ 3.22Å; D26-K33 VanDerWaalsContact OD1-NZ 3.12Å; D26-K110 IonicContact OD1-NZ 3.71Å; D26-K110 WeakPolarHBondContact OD2-CD 3.39Å; D26-K110 IonicContact OD2-NZ 2.61Å; D26-K110 PolarHBondContact OD2-NZ 2.71Å |
| 27 | S | 54.2 | Low | 61.4 | Low | 80 Ų | 80 | 82.2 Ų | 82.2 | 56% | 0.559 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.4 | -11 | -173.1 | -61.5 | 0 | 0 | 0 | 0 | 114.8 | N25 | N25-S27 PolarHBondContact O-N 3.43Š|
| 28 | Q | 54.2 | Low | 63.9 | Low | 134 Ų | 134 | 76.6 Ų | 76.6 | 63% | 0.626 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -83.9 | 150.5 | 168.2 | -72.1 | -173 | -100.1 | 0 | 0 | 110.9 | N25 D30 | N25-Q28 PolarHBondContact ND2-OE1 3.37Å; Q28-D30 PolarHBondContact O-N 3.3Å |
| 29 | E | 62.1 | Low | 66.9 | Low | 164 Ų | 164 | 73.1 Ų | 73.1 | 77% | 0.766 | 44% | 0.438 | S | S | * | . | trans | -73.2 | 92.2 | 176.1 | -61.1 | -175.6 | 153.6 | 0 | 0 | 109.5 | P31 | E29-P31 WeakPolarHBondContact O-CD 3.37Š| ||
| 30 | D | 73.4 | Confident | 69.7 | Low | 50 Ų | 50 | 70 Ų | 70 | 27% | 0.267 | 40% | 0.404 | S | S | . | . | trans | -77.8 | 102.6 | 173.5 | -92.6 | -33.4 | 0 | 0 | 0 | 110.6 | Q28 G32 K33 R79 | Q28-D30 PolarHBondContact O-N 3.3Å; D30-G32 PolarHBondContact O-N 2.93Å; D30-K33 HydrophobicContact CB-CB 3.85Å; D30-K33 HydrophobicContact CB-CD 4.31Å; D30-K33 WeakPolarHBondContact O-CB 3.46Å; D30-K33 PolarHBondContact O-N 3.17Å; D30-K33 VanDerWaalsContact O-N 3.13Å; D30-R79 VanDerWaalsContact CG-NE 3.27Å; D30-R79 IonicContact OD1-CZ 2.65Å; D30-R79 IonicContact OD1-NE 2.66Å; D30-R79 PolarHBondContact OD1-NE 3.45Å; D30-R79 IonicContact OD1-NH2 2.69Å; D30-R79 PolarHBondContact OD1-NH2 3.48Å; D30-R79 IonicContact OD2-CZ 2.66Å; D30-R79 IonicContact OD2-NE 3.36Å; D30-R79 PolarHBondContact OD2-NE 3.15Å; D30-R79 IonicContact OD2-NH2 2.81Å | ||
| 31 | P | 79.2 | Confident | 71.5 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 52% | 0.519 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.3 | 179.2 | 30.9 | -38 | 0 | 0 | 0 | 113 | E29 K33 T83 | E29-P31 WeakPolarHBondContact O-CD 3.37Å; P31-K33 VanDerWaalsContact C-N 3.31Å; P31-T83 HydrophobicContact CB-CG2 3.99Å; P31-T83 HydrophobicContact CG-CG2 4.49Å |
| 32 | G | 84.4 | Confident | 73.8 | Confident | 6 Ų | 6 | 74.6 Ų | 74.6 | 6% | 0.062 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -5.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D30 R79 F80 | D30-G32 PolarHBondContact O-N 2.93Å; G32-R79 WeakPolarHBondContact O-CA 3.29Å; G32-F80 PolarHBondContact O-N 3.4Å |
| 33 | K | 91.4 | Very high | 76.3 | Confident | 27 Ų | 27 | 69.4 Ų | 69.4 | 12% | 0.117 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 129 | -175.4 | -153.3 | 160.3 | -164.4 | 158.4 | 0 | 110.7 | D26 D30 P31 E60 I78 A107 | D26-K33 IonicContact OD1-NZ 3.12Å; D26-K33 PolarHBondContact OD1-NZ 3.22Å; D26-K33 VanDerWaalsContact OD1-NZ 3.12Å; D30-K33 HydrophobicContact CB-CB 3.85Å; D30-K33 HydrophobicContact CB-CD 4.31Å; D30-K33 WeakPolarHBondContact O-CB 3.46Å; D30-K33 PolarHBondContact O-N 3.17Å; D30-K33 VanDerWaalsContact O-N 3.13Å; P31-K33 VanDerWaalsContact C-N 3.31Å; K33-E60 WeakPolarHBondContact CE-OE2 3.44Å; K33-E60 IonicContact NZ-OE1 3.93Å; K33-E60 IonicContact NZ-OE2 3.1Å; K33-E60 PolarHBondContact NZ-OE2 3.28Å; K33-E60 VanDerWaalsContact NZ-OE2 3.1Å; K33-I78 CarbonylContact C-O 3.57Å; K33-I78 WeakPolarHBondContact CA-O 3.39Å; K33-A107 HydrophobicContact CB-CB 4.04Å; K33-A107 HydrophobicContact CG-CB 4.1Å; K33-A107 WeakPolarHBondContact O-CB 3.4Å; K33-A107 PolarHBondContact O-N 2.74Å |
| 34 | M | 93 | Very high | 78.7 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.1 | 177.2 | -61.6 | -167.2 | 78.8 | 0 | 0 | 111.6 | I36 F77 I78 F80 V86 V89 L90 P104 K105 | M34-I36 HydrophobicContact CB-CD1 4.02Å; M34-F77 VanDerWaalsContact O-CA 3.28Å; M34-F77 WeakPolarHBondContact O-CA 3.3Å; M34-I78 HydrophobicContact CB-CD1 4.31Å; M34-I78 HydrophobicContact CB-CG1 3.81Å; M34-I78 PolarHBondContact N-O 2.81Å; M34-I78 PolarHBondContact O-N 3.16Å; M34-F80 HydrophobicContact SD-CD2 4.41Å; M34-F80 HydrophobicContact SD-CE2 3.88Å; M34-V86 HydrophobicContact CE-CG1 4Å; M34-V86 HydrophobicContact CG-CB 4.39Å; M34-V86 HydrophobicContact CG-CG1 3.92Å; M34-V86 HydrophobicContact CG-CG2 3.9Å; M34-V86 HydrophobicContact SD-CB 4.13Å; M34-V86 HydrophobicContact SD-CG1 3.81Å; M34-V86 HydrophobicContact SD-CG2 4.11Å; M34-V89 HydrophobicContact CE-CB 4.15Å; M34-V89 HydrophobicContact CE-CG1 3.66Å; M34-V89 HydrophobicContact SD-CB 3.96Å; M34-V89 HydrophobicContact SD-CG1 3.87Å; M34-V89 HydrophobicContact SD-CG2 4.27Å; M34-L90 HydrophobicContact CE-CD2 3.82Å; M34-L90 HydrophobicContact CE-CG 3.9Å; M34-P104 HydrophobicContact CE-CB 4.1Å; M34-K105 CarbonylContact C-O 3.55Å; M34-K105 VanDerWaalsContact CA-O 3.3Å; M34-K105 WeakPolarHBondContact CA-O 3.4Å; M34-K105 WeakPolarHBondContact CB-O 3.45Å |
| 35 | F | 93.6 | Very high | 81.1 | Confident | 66 Ų | 66 | 59.7 Ų | 59.7 | 29% | 0.289 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 130 | 167.7 | 168.3 | -90.5 | 0 | 0 | 0 | 108.8 | F75 F77 P104 K105 A107 | F35-F75 HydrophobicContact CD2-CD2 4.31Å; F35-F75 HydrophobicContact CE2-CB 3.87Å; F35-F75 AromaticContact CE2-CD2 3.55Å; F35-F75 HydrophobicContact CE2-CD2 3.55Å; F35-F75 HydrophobicContact CE2-CE2 4.29Å; F35-F75 AromaticContact CE2-CG 3.92Å; F35-F75 HydrophobicContact CE2-CG 3.92Å; F35-F75 HydrophobicContact CZ-CB 3.87Å; F35-F75 HydrophobicContact CZ-CD2 4.35Å; F35-F75 HydrophobicContact CZ-CG 4.28Å; F35-F77 HydrophobicContact CB-CD1 4.26Å; F35-F77 HydrophobicContact CB-CE1 4.02Å; F35-F77 HydrophobicContact CD2-CD1 4.48Å; F35-F77 AromaticContact CD2-CE1 3.84Å; F35-F77 HydrophobicContact CD2-CE1 3.84Å; F35-F77 AromaticContact CD2-CZ 3.92Å; F35-F77 HydrophobicContact CD2-CZ 3.92Å; F35-F77 HydrophobicContact CG-CE1 4.44Å; F35-P104 WeakPolarHBondContact O-CA 3.27Å; F35-K105 PolarHBondContact N-O 3.03Å; F35-K105 PolarHBondContact O-N 2.81Å; F35-A107 HydrophobicContact CB-CB 4.5Å |
| 36 | I | 94 | Very high | 83.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 105.9 | -180 | -42.4 | -61 | 0 | 0 | 0 | 109.1 | M34 L39 L48 F52 F75 G76 I78 I102 P104 | M34-I36 HydrophobicContact CB-CD1 4.02Å; I36-L39 HydrophobicContact CB-CD2 4.37Å; I36-L39 HydrophobicContact CG2-CD2 3.62Å; I36-L39 HydrophobicContact CG2-CG 4.41Å; I36-L48 HydrophobicContact CG2-CD1 4.29Å; I36-F52 HydrophobicContact CD1-CE1 4.27Å; I36-F52 HydrophobicContact CD1-CE2 3.93Å; I36-F52 HydrophobicContact CD1-CZ 3.73Å; I36-F52 HydrophobicContact CG1-CE2 4.08Å; I36-F52 HydrophobicContact CG1-CZ 4.36Å; I36-F52 HydrophobicContact CG2-CE2 3.93Å; I36-F52 HydrophobicContact CG2-CZ 4.07Å; I36-F75 CarbonylContact O-C 3.53Å; I36-F75 WeakPolarHBondContact O-CA 3.32Å; I36-F75 WeakPolarHBondContact O-CB 3.25Å; I36-G76 PolarHBondContact N-O 3.34Å; I36-G76 PolarHBondContact O-N 2.89Å; I36-I78 HydrophobicContact CD1-CD1 3.72Å; I36-I78 HydrophobicContact CD1-CG1 3.94Å; I36-I78 HydrophobicContact CG1-CD1 4.26Å; I36-I78 HydrophobicContact CG1-CG1 4.18Å; I36-I78 HydrophobicContact CG1-CG2 4.24Å; I36-I102 HydrophobicContact CG2-CB 4.34Å; I36-I102 HydrophobicContact CG2-CD1 3.96Å; I36-I102 HydrophobicContact CG2-CG1 4.43Å; I36-P104 HydrophobicContact CD1-CB 3.6Å |
| 37 | G | 93.6 | Very high | 85.4 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 7% | 0.072 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 159.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I102 D103 | G37-I102 WeakPolarHBondContact O-CA 3.48Å; G37-I102 WeakPolarHBondContact O-CB 3.32Å; G37-D103 PolarHBondContact N-O 2.94Å; G37-D103 PolarHBondContact O-N 3.13Å |
| 38 | G | 92.6 | Very high | 87.2 | Confident | 39 Ų | 39 | 55.3 Ų | 55.3 | 40% | 0.402 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 84.3 | 6.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | G74 | G38-G74 PolarHBondContact N-O 2.95Š|
| 39 | L | 93.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | trans | -54.3 | 150.7 | -178.8 | -58.2 | -172.5 | 0 | 0 | 0 | 112.4 | I36 T43 L48 V63 G74 I102 | I36-L39 HydrophobicContact CB-CD2 4.37Å; I36-L39 HydrophobicContact CG2-CD2 3.62Å; I36-L39 HydrophobicContact CG2-CG 4.41Å; L39-T43 HydrophobicContact CD1-CG2 4.45Å; L39-L48 HydrophobicContact CD1-CD1 4.21Å; L39-L48 HydrophobicContact CD1-CD2 4.23Å; L39-L48 HydrophobicContact CD2-CD1 3.79Å; L39-V63 HydrophobicContact CD1-CG1 4.5Å; L39-V63 HydrophobicContact CD1-CG2 4.23Å; L39-G74 PolarHBondContact N-O 3.24Å; L39-I102 HydrophobicContact CD2-CB 4.4Å; L39-I102 HydrophobicContact CD2-CD1 4.46Å; L39-I102 HydrophobicContact CD2-CG2 3.88Å | ||
| 40 | S | 92.5 | Very high | 90.6 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | trans | -67.1 | 157.9 | 170.1 | -167.3 | 0 | 0 | 0 | 0 | 110.8 | Q42 T43 | S40-Q42 PolarHBondContact O-N 3.19Å; S40-T43 WeakPolarHBondContact CA-OG1 3.42Å; S40-T43 WeakPolarHBondContact CB-OG1 3.39Å; S40-T43 PolarHBondContact N-OG1 3.47Å; S40-T43 PolarHBondContact O-N 3.45Å; S40-T43 PolarHBondContact O-OG1 2.93Å | ||
| 41 | W | 91 | Very high | 91.5 | Very high | 166 Ų | 166 | 48.3 Ų | 48.3 | 63% | 0.629 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -72.8 | -12.8 | 172.4 | -63.3 | -21.4 | 0 | 0 | 0 | 112.3 | ||
| 42 | Q | 89.4 | Confident | 92.2 | Very high | 167 Ų | 167 | 44.5 Ų | 44.5 | 78% | 0.78 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -91.2 | -20.2 | 176.4 | -70.5 | 165.4 | -28.5 | 0 | 0 | 112.9 | S40 S44 | S40-Q42 PolarHBondContact O-N 3.19Å; Q42-S44 PolarHBondContact O-N 2.92Å |
| 43 | T | 90.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -53.8 | 122.9 | -174.7 | -48.5 | 0 | 0 | 0 | 0 | 111.9 | L39 S40 L48 R65 L97 D98 | L39-T43 HydrophobicContact CD1-CG2 4.45Å; S40-T43 WeakPolarHBondContact CA-OG1 3.42Å; S40-T43 WeakPolarHBondContact CB-OG1 3.39Å; S40-T43 PolarHBondContact N-OG1 3.47Å; S40-T43 PolarHBondContact O-N 3.45Å; S40-T43 PolarHBondContact O-OG1 2.93Å; T43-L48 HydrophobicContact CG2-CB 4.35Å; T43-R65 PolarHBondContact O-NH2 3.22Å; T43-L97 HydrophobicContact CG2-CD2 3.7Å; T43-L97 HydrophobicContact CG2-CG 4.36Å; T43-D98 WeakPolarHBondContact CA-OD2 3.35Å; T43-D98 WeakPolarHBondContact CB-OD2 3.08Å; T43-D98 PolarHBondContact N-OD2 3.46Å; T43-D98 PolarHBondContact OG1-OD2 3.17Å | ||
| 44 | S | 91.6 | Very high | 92.6 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 22% | 0.217 | 26% | 0.264 | C | S | . | . | trans | -86.1 | 172.1 | 174.6 | 90.1 | 0 | 0 | 0 | 0 | 110.9 | Q42 E46 S47 L48 V63 | Q42-S44 PolarHBondContact O-N 2.92Å; S44-E46 VanDerWaalsContact C-N 3.33Å; S44-E46 WeakPolarHBondContact CB-OE2 3.42Å; S44-E46 PolarHBondContact OG-N 2.66Å; S44-E46 VanDerWaalsContact OG-N 3.15Å; S44-E46 PolarHBondContact OG-OE2 3.1Å; S44-S47 PolarHBondContact N-OG 2.99Å; S44-S47 PolarHBondContact O-OG 2.87Å; S44-S47 PolarHBondContact OG-N 3.04Å; S44-S47 PolarHBondContact OG-OG 3.02Å; S44-L48 WeakPolarHBondContact O-CB 3.26Å; S44-L48 PolarHBondContact O-N 3.33Å; S44-V63 WeakPolarHBondContact O-CG2 3.47Å | ||
| 45 | V | 93 | Very high | 92.6 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 34% | 0.339 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.1 | -36.1 | 171.9 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | L48 G49 C61 V63 | V45-L48 PolarHBondContact O-N 3.2Å; V45-G49 PolarHBondContact O-N 3.02Å; V45-C61 HydrophobicContact CG1-CB 4.2Å; V45-C61 VanDerWaalsContact CG1-O 3.27Å; V45-C61 WeakPolarHBondContact CG1-O 3.15Å; V45-C61 WeakPolarHBondContact CG1-SG 3.31Å; V45-V63 HydrophobicContact CG2-CB 4.09Å; V45-V63 HydrophobicContact CG2-CG2 4.07Å |
| 46 | E | 93.4 | Very high | 92.5 | Very high | 133 Ų | 133 | 49.2 Ų | 49.2 | 62% | 0.621 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.6 | -53.6 | 177.2 | -54.1 | 117.7 | 157.8 | 0 | 0 | 111.3 | S44 L48 G49 E50 | S44-E46 VanDerWaalsContact C-N 3.33Å; S44-E46 WeakPolarHBondContact CB-OE2 3.42Å; S44-E46 PolarHBondContact OG-N 2.66Å; S44-E46 VanDerWaalsContact OG-N 3.15Å; S44-E46 PolarHBondContact OG-OE2 3.1Å; E46-L48 PolarHBondContact O-N 3.25Å; E46-L48 VanDerWaalsContact O-N 3.17Å; E46-G49 CarbonylContact O-C 3.56Å; E46-G49 WeakPolarHBondContact O-CA 3.38Å; E46-G49 PolarHBondContact O-N 3Å; E46-E50 WeakPolarHBondContact O-CB 3.41Å; E46-E50 WeakPolarHBondContact O-CG 3.45Å; E46-E50 PolarHBondContact O-N 3.19Å |
| 47 | S | 92.3 | Very high | 92.5 | Very high | 24 Ų | 24 | 56 Ų | 56 | 17% | 0.168 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60 | -31.7 | -179.3 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | S44 Y51 | S44-S47 PolarHBondContact N-OG 2.99Å; S44-S47 PolarHBondContact O-OG 2.87Å; S44-S47 PolarHBondContact OG-N 3.04Å; S44-S47 PolarHBondContact OG-OG 3.02Å; S47-Y51 VanDerWaalsContact O-CB 3.31Å; S47-Y51 WeakPolarHBondContact O-CB 3.25Å; S47-Y51 PolarHBondContact O-N 3.1Å |
| 48 | L | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.5 | -44.7 | 172.7 | -173 | 69.7 | 0 | 0 | 0 | 111.5 | I36 L39 T43 S44 V45 E46 F52 V63 I78 L97 | I36-L48 HydrophobicContact CG2-CD1 4.29Å; L39-L48 HydrophobicContact CD1-CD1 4.21Å; L39-L48 HydrophobicContact CD1-CD2 4.23Å; L39-L48 HydrophobicContact CD2-CD1 3.79Å; T43-L48 HydrophobicContact CG2-CB 4.35Å; S44-L48 WeakPolarHBondContact O-CB 3.26Å; S44-L48 PolarHBondContact O-N 3.33Å; V45-L48 PolarHBondContact O-N 3.2Å; E46-L48 PolarHBondContact O-N 3.25Å; E46-L48 VanDerWaalsContact O-N 3.17Å; L48-F52 HydrophobicContact CD1-CD2 3.82Å; L48-F52 HydrophobicContact CD1-CE2 3.67Å; L48-F52 HydrophobicContact CG-CD2 4.27Å; L48-F52 WeakPolarHBondContact O-CD2 3.31Å; L48-F52 PolarHBondContact O-N 3.35Å; L48-F52 VanDerWaalsContact O-N 3.15Å; L48-V63 HydrophobicContact CB-CG2 4.42Å; L48-V63 HydrophobicContact CD2-CG2 3.86Å; L48-I78 HydrophobicContact CD2-CG2 3.9Å; L48-I78 HydrophobicContact CG-CG2 4.01Å; L48-L97 HydrophobicContact CD1-CD2 3.97Å |
| 49 | G | 93.4 | Very high | 92.6 | Very high | 14 Ų | 14 | 59.1 Ų | 59.1 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | V45 E46 F52 G53 | V45-G49 PolarHBondContact O-N 3.02Å; E46-G49 CarbonylContact O-C 3.56Å; E46-G49 WeakPolarHBondContact O-CA 3.38Å; E46-G49 PolarHBondContact O-N 3Å; G49-F52 PolarHBondContact O-N 3.2Å; G49-G53 PolarHBondContact O-N 3.23Å |
| 50 | E | 93.3 | Very high | 92.5 | Very high | 146 Ų | 146 | 62.4 Ų | 62.4 | 68% | 0.682 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.9 | -51.6 | 175.9 | -72.2 | 171.3 | -173.7 | 0 | 0 | 111.5 | E46 F52 G53 | E46-E50 WeakPolarHBondContact O-CB 3.41Å; E46-E50 WeakPolarHBondContact O-CG 3.45Å; E46-E50 PolarHBondContact O-N 3.19Å; E50-F52 VanDerWaalsContact C-N 3.33Å; E50-F52 PolarHBondContact O-N 2.54Å; E50-G53 PolarHBondContact O-N 3.42Å |
| 51 | Y | 93.6 | Very high | 92.5 | Very high | 41 Ų | 41 | 63.9 Ų | 63.9 | 16% | 0.161 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61 | -39.8 | -179.8 | 179.6 | -95 | 0 | 0 | 0 | 112.7 | S47 Q54 F55 H95 E96 L97 I102 | S47-Y51 VanDerWaalsContact O-CB 3.31Å; S47-Y51 WeakPolarHBondContact O-CB 3.25Å; S47-Y51 PolarHBondContact O-N 3.1Å; Y51-Q54 VanDerWaalsContact O-CD 3.28Å; Y51-Q54 VanDerWaalsContact O-CG 3.25Å; Y51-Q54 WeakPolarHBondContact O-CG 3.13Å; Y51-Q54 PolarHBondContact O-NE2 3.35Å; Y51-F55 HydrophobicContact CE1-CE2 4.22Å; Y51-H95 HydrophobicContact CE1-CB 4.09Å; Y51-H95 AromaticContact CE1-ND1 3.63Å; Y51-H95 AromaticContact CZ-ND1 3.81Å; Y51-H95 WeakPolarHBondContact OH-CA 3.46Å; Y51-H95 WeakPolarHBondContact OH-CB 3.42Å; Y51-H95 PolarHBondContact OH-ND1 2.96Å; Y51-H95 VanDerWaalsContact OH-ND1 3.1Å; Y51-E96 VanDerWaalsContact CE2-O 3.25Å; Y51-E96 WeakPolarHBondContact CE2-O 3.38Å; Y51-E96 PolarHBondContact OH-N 2.88Å; Y51-L97 HydrophobicContact CD2-CD1 4.25Å; Y51-L97 HydrophobicContact CG-CD1 4.11Å; Y51-I102 HydrophobicContact CD1-CD1 4.24Å; Y51-I102 HydrophobicContact CE1-CD1 4Å |
| 52 | F | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -81.4 | -21.8 | 177.5 | -78.4 | -71.4 | 0 | 0 | 0 | 113.7 | I36 L48 G49 E50 Q54 F55 V58 I78 F80 V89 I102 P104 | I36-F52 HydrophobicContact CD1-CE1 4.27Å; I36-F52 HydrophobicContact CD1-CE2 3.93Å; I36-F52 HydrophobicContact CD1-CZ 3.73Å; I36-F52 HydrophobicContact CG1-CE2 4.08Å; I36-F52 HydrophobicContact CG1-CZ 4.36Å; I36-F52 HydrophobicContact CG2-CE2 3.93Å; I36-F52 HydrophobicContact CG2-CZ 4.07Å; L48-F52 HydrophobicContact CD1-CD2 3.82Å; L48-F52 HydrophobicContact CD1-CE2 3.67Å; L48-F52 HydrophobicContact CG-CD2 4.27Å; L48-F52 WeakPolarHBondContact O-CD2 3.31Å; L48-F52 PolarHBondContact O-N 3.35Å; L48-F52 VanDerWaalsContact O-N 3.15Å; G49-F52 PolarHBondContact O-N 3.2Å; E50-F52 VanDerWaalsContact C-N 3.33Å; E50-F52 PolarHBondContact O-N 2.54Å; F52-Q54 PolarHBondContact O-N 3.43Å; F52-Q54 VanDerWaalsContact O-N 3.16Å; F52-F55 AromaticContact CD1-CD2 3.95Å; F52-F55 HydrophobicContact CD1-CD2 3.95Å; F52-F55 HydrophobicContact CD1-CE2 4.18Å; F52-F55 HydrophobicContact CE1-CE2 4.44Å; F52-F55 PolarHBondContact O-N 2.99Å; F52-V58 HydrophobicContact CB-CG2 4.13Å; F52-I78 HydrophobicContact CB-CD1 3.72Å; F52-I78 HydrophobicContact CD1-CD1 3.55Å; F52-I78 HydrophobicContact CD2-CD1 3.71Å; F52-I78 HydrophobicContact CD2-CG2 4.31Å; F52-I78 HydrophobicContact CE1-CD1 4.11Å; F52-I78 HydrophobicContact CE2-CD1 4.25Å; F52-I78 HydrophobicContact CG-CD1 3.34Å; F52-I78 HydrophobicContact CZ-CD1 4.43Å; F52-F80 HydrophobicContact CB-CE1 4.39Å; F52-F80 HydrophobicContact CB-CZ 4.01Å; F52-F80 HydrophobicContact CD1-CZ 4.15Å; F52-F80 HydrophobicContact CG-CZ 4.48Å; F52-F80 WeakPolarHBondContact O-CE1 3.41Å; F52-V89 HydrophobicContact CD1-CG2 3.86Å; F52-V89 HydrophobicContact CE1-CG1 3.86Å; F52-V89 HydrophobicContact CE1-CG2 4.02Å; F52-I102 HydrophobicContact CE2-CD1 3.79Å; F52-I102 HydrophobicContact CZ-CD1 3.7Å; F52-P104 HydrophobicContact CE1-CB 4.32Å; F52-P104 HydrophobicContact CZ-CB 4.19Å |
| 53 | G | 92.3 | Very high | 92.8 | Very high | 37 Ų | 37 | 50.9 Ų | 50.9 | 38% | 0.381 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.5 | -29 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G49 E50 F55 G56 | G49-G53 PolarHBondContact O-N 3.23Å; E50-G53 PolarHBondContact O-N 3.42Å; G53-F55 PolarHBondContact O-N 3.35Å; G53-G56 WeakPolarHBondContact CA-O 3.19Å; G53-G56 PolarHBondContact O-N 3.25Å |
| 54 | Q | 92.2 | Very high | 92.9 | Very high | 126 Ų | 126 | 53.3 Ų | 53.3 | 59% | 0.589 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20.2 | 176.2 | 81 | -165.4 | -7.3 | 0 | 0 | 113.9 | Y51 F52 | Y51-Q54 VanDerWaalsContact O-CD 3.28Å; Y51-Q54 VanDerWaalsContact O-CG 3.25Å; Y51-Q54 WeakPolarHBondContact O-CG 3.13Å; Y51-Q54 PolarHBondContact O-NE2 3.35Å; F52-Q54 PolarHBondContact O-N 3.43Å; F52-Q54 VanDerWaalsContact O-N 3.16Å |
| 55 | F | 92.3 | Very high | 92.9 | Very high | 21 Ų | 21 | 57 Ų | 57 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -26.9 | 175.6 | -57.6 | -79.5 | 0 | 0 | 0 | 112.1 | Y51 F52 G53 F80 S85 K88 V89 H92 H95 | Y51-F55 HydrophobicContact CE1-CE2 4.22Å; F52-F55 AromaticContact CD1-CD2 3.95Å; F52-F55 HydrophobicContact CD1-CD2 3.95Å; F52-F55 HydrophobicContact CD1-CE2 4.18Å; F52-F55 HydrophobicContact CE1-CE2 4.44Å; F52-F55 PolarHBondContact O-N 2.99Å; G53-F55 PolarHBondContact O-N 3.35Å; F55-F80 HydrophobicContact CB-CE1 4.41Å; F55-F80 HydrophobicContact CB-CZ 4.29Å; F55-S85 PolarHBondContact O-OG 3.25Å; F55-K88 HydrophobicContact CB-CB 4.35Å; F55-K88 HydrophobicContact CD1-CB 4.15Å; F55-K88 WeakPolarHBondContact O-CD 3.24Å; F55-K88 PolarHBondContact O-NZ 3.47Å; F55-V89 HydrophobicContact CB-CG2 3.83Å; F55-V89 HydrophobicContact CD1-CG2 4.16Å; F55-V89 HydrophobicContact CD2-CG2 3.69Å; F55-V89 HydrophobicContact CE2-CG2 4.29Å; F55-V89 HydrophobicContact CG-CG2 3.61Å; F55-H92 HydrophobicContact CE1-CB 4.31Å; F55-H95 AromaticContact CE2-CE1 3.76Å; F55-H95 AromaticContact CE2-ND1 3.91Å; F55-H95 AromaticContact CZ-CE1 3.38Å; F55-H95 WeakPolarHBondContact CZ-CE1 3.41Å; F55-H95 AromaticContact CZ-ND1 3.71Å |
| 56 | G | 92 | Very high | 92.7 | Very high | 15 Ų | 15 | 56.3 Ų | 56.3 | 16% | 0.155 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 164.2 | 177.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G53 V58 F80 | G53-G56 WeakPolarHBondContact CA-O 3.19Å; G53-G56 PolarHBondContact O-N 3.25Å; G56-V58 PolarHBondContact O-N 2.67Å; G56-F80 WeakPolarHBondContact O-CE1 3.42Å |
| 57 | Q | 93.8 | Very high | 92.5 | Very high | 143 Ų | 143 | 54.4 Ų | 54.4 | 67% | 0.668 | 29% | 0.294 | S | S | * | . | trans | -64.6 | 121.4 | -174.2 | -172.2 | 175.7 | 12.9 | 0 | 0 | 111.9 | F80 A81 | Q57-F80 CarbonylContact O-C 3.5Å; Q57-F80 WeakPolarHBondContact O-CA 3.38Å; Q57-A81 HydrophobicContact CB-CB 4.16Å; Q57-A81 HydrophobicContact CG-CB 4.49Å; Q57-A81 PolarHBondContact O-N 3.36Å | ||
| 58 | V | 94.1 | Very high | 92.5 | Very high | 35 Ų | 35 | 60 Ų | 60 | 21% | 0.212 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 127.3 | 174.7 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | F52 G56 E60 C61 F80 | F52-V58 HydrophobicContact CB-CG2 4.13Å; G56-V58 PolarHBondContact O-N 2.67Å; V58-E60 WeakPolarHBondContact CG1-O 3.44Å; V58-C61 HydrophobicContact CG1-CB 4.04Å; V58-F80 HydrophobicContact CG2-CD1 4.1Å; V58-F80 HydrophobicContact CG2-CE1 3.83Å |
| 59 | T | 93 | Very high | 92.4 | Very high | 75 Ų | 75 | 64.2 Ų | 64.2 | 46% | 0.46 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -30.9 | 178.3 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | R79 A81 | T59-R79 PolarHBondContact N-O 2.83Å; T59-R79 PolarHBondContact OG1-NH1 3.29Å; T59-R79 PolarHBondContact OG1-O 3.37Å; T59-A81 HydrophobicContact CG2-CB 3.74Å |
| 60 | E | 92.2 | Very high | 92.1 | Very high | 72 Ų | 72 | 70.3 Ų | 70.3 | 34% | 0.336 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 138.2 | 176.8 | -162.9 | -160.9 | 161.2 | 0 | 0 | 108.1 | K33 V58 V62 I78 R79 | K33-E60 WeakPolarHBondContact CE-OE2 3.44Å; K33-E60 IonicContact NZ-OE1 3.93Å; K33-E60 IonicContact NZ-OE2 3.1Å; K33-E60 PolarHBondContact NZ-OE2 3.28Å; K33-E60 VanDerWaalsContact NZ-OE2 3.1Å; V58-E60 WeakPolarHBondContact CG1-O 3.44Å; E60-V62 HydrophobicContact CG-CG2 4.22Å; E60-I78 CarbonylContact O-C 3.58Å; E60-I78 VanDerWaalsContact O-CA 3.3Å; E60-I78 WeakPolarHBondContact O-CA 3.49Å; E60-R79 HydrophobicContact CB-CB 3.58Å; E60-R79 PolarHBondContact N-O 3.48Å; E60-R79 PolarHBondContact O-N 3.18Å |
| 61 | C | 93 | Very high | 91.9 | Very high | 40 Ų | 40 | 69.6 Ų | 69.6 | 27% | 0.27 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 133.2 | 168.1 | 50.2 | 0 | 0 | 0 | 0 | 110.2 | V45 V58 F77 I78 | V45-C61 HydrophobicContact CG1-CB 4.2Å; V45-C61 VanDerWaalsContact CG1-O 3.27Å; V45-C61 WeakPolarHBondContact CG1-O 3.15Å; V45-C61 WeakPolarHBondContact CG1-SG 3.31Å; V58-C61 HydrophobicContact CG1-CB 4.04Å; C61-F77 WeakPolarHBondContact CA-O 3.46Å; C61-I78 HydrophobicContact CB-CG2 4.11Å |
| 62 | V | 92.3 | Very high | 91.7 | Very high | 51 Ų | 51 | 67.9 Ų | 67.9 | 31% | 0.309 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 115.1 | -172.5 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | E60 M64 G76 F77 | E60-V62 HydrophobicContact CG-CG2 4.22Å; V62-M64 HydrophobicContact CG1-SD 4.05Å; V62-G76 CarbonylContact O-C 3.53Å; V62-G76 WeakPolarHBondContact O-CA 3.45Å; V62-F77 PolarHBondContact N-O 2.88Å; V62-F77 PolarHBondContact O-N 2.94Å |
| 63 | V | 93.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 74.4 Ų | 74.4 | 6% | 0.055 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 118.2 | 169.7 | 174.9 | 0 | 0 | 0 | 0 | 109 | L39 S44 V45 L48 R65 A72 | L39-V63 HydrophobicContact CD1-CG1 4.5Å; L39-V63 HydrophobicContact CD1-CG2 4.23Å; S44-V63 WeakPolarHBondContact O-CG2 3.47Å; V45-V63 HydrophobicContact CG2-CB 4.09Å; V45-V63 HydrophobicContact CG2-CG2 4.07Å; L48-V63 HydrophobicContact CB-CG2 4.42Å; L48-V63 HydrophobicContact CD2-CG2 3.86Å; V63-R65 PolarHBondContact O-N 2.98Å; V63-A72 HydrophobicContact CG1-CB 3.92Å |
| 64 | M | 92.8 | Very high | 91.5 | Very high | 51 Ų | 51 | 73.3 Ų | 73.3 | 25% | 0.251 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 119 | -173.9 | -65.5 | -69.6 | -76.7 | 0 | 0 | 110.2 | V62 R73 F75 F77 | V62-M64 HydrophobicContact CG1-SD 4.05Å; M64-R73 VanDerWaalsContact O-CB 3.29Å; M64-R73 WeakPolarHBondContact O-CB 3.18Å; M64-R73 WeakPolarHBondContact O-CG 3.36Å; M64-R73 PolarHBondContact O-N 3.2Å; M64-F75 HydrophobicContact CB-CD2 3.91Å; M64-F75 HydrophobicContact CB-CE1 4.41Å; M64-F75 HydrophobicContact CB-CE2 3.63Å; M64-F75 HydrophobicContact CB-CG 4.44Å; M64-F75 HydrophobicContact CB-CZ 3.9Å; M64-F75 WeakPolarHBondContact CB-O 3.06Å; M64-F75 HydrophobicContact CE-CE2 4.34Å; M64-F75 HydrophobicContact CG-CD2 3.81Å; M64-F75 HydrophobicContact CG-CE2 3.52Å; M64-F75 HydrophobicContact CG-CZ 4.25Å; M64-F75 PolarHBondContact N-O 3.01Å; M64-F77 HydrophobicContact CE-CE2 4.45Å; M64-F77 HydrophobicContact CG-CD2 4.02Å; M64-F77 HydrophobicContact CG-CE2 4.05Å; M64-F77 HydrophobicContact SD-CD2 4.23Å; M64-F77 HydrophobicContact SD-CE2 4.28Å |
| 65 | R | 92.8 | Very high | 91.6 | Very high | 109 Ų | 109 | 69.4 Ų | 69.4 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 156.3 | -178.3 | -69.8 | 169 | -175 | -101.5 | -5.2 | 111.3 | T43 V63 K71 A72 R73 | T43-R65 PolarHBondContact O-NH2 3.22Å; V63-R65 PolarHBondContact O-N 2.98Å; R65-K71 CarbonylContact C-O 3.48Å; R65-K71 VanDerWaalsContact CA-O 3.24Å; R65-K71 WeakPolarHBondContact CA-O 3.39Å; R65-A72 HydrophobicContact CG-CB 4.36Å; R65-R73 WeakPolarHBondContact O-CD 3.44Å |
| 66 | D | 88.4 | Confident | 91.7 | Very high | 41 Ų | 41 | 68.4 Ų | 68.4 | 22% | 0.219 | 35% | 0.349 | C | S | . | . | trans | -68.9 | 124.9 | 170.6 | 171.4 | 10.6 | 0 | 0 | 0 | 109.3 | N68 T69 K70 K71 | D66-N68 PolarHBondContact O-N 3.38Å; D66-N68 VanDerWaalsContact O-N 3.16Å; D66-N68 PolarHBondContact OD1-N 3.23Å; D66-N68 PolarHBondContact OD1-ND2 3.36Å; D66-T69 WeakPolarHBondContact CB-OG1 3.12Å; D66-T69 VanDerWaalsContact OD2-CB 3.26Å; D66-T69 WeakPolarHBondContact OD2-CB 3.38Å; D66-T69 VanDerWaalsContact OD2-CG2 3.25Å; D66-T69 WeakPolarHBondContact OD2-CG2 3.3Å; D66-T69 PolarHBondContact OD2-N 3.46Å; D66-T69 PolarHBondContact OD2-OG1 3.28Å; D66-K70 VanDerWaalsContact O-CA 3.24Å; D66-K70 WeakPolarHBondContact O-CA 3.45Å; D66-K70 PolarHBondContact O-N 3.08Å; D66-K71 PolarHBondContact N-O 3.41Å | ||
| 67 | P | 89.4 | Confident | 91.8 | Very high | 93 Ų | 93 | 69.2 Ų | 69.2 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -32.7 | 176.2 | -27.3 | 35.8 | 0 | 0 | 0 | 113.8 | K70 | P67-K70 WeakPolarHBondContact O-CE 3.46Å; P67-K70 PolarHBondContact O-NZ 2.84Å |
| 68 | N | 91.6 | Very high | 91.8 | Very high | 140 Ų | 140 | 62.4 Ų | 62.4 | 75% | 0.749 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -62.4 | -175.7 | -55.1 | -61.3 | 0 | 0 | 0 | 111.6 | D66 | D66-N68 PolarHBondContact O-N 3.38Å; D66-N68 VanDerWaalsContact O-N 3.16Å; D66-N68 PolarHBondContact OD1-N 3.23Å; D66-N68 PolarHBondContact OD1-ND2 3.36Å |
| 69 | T | 91.6 | Very high | 91.8 | Very high | 90 Ų | 90 | 64.4 Ų | 64.4 | 55% | 0.552 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -6.2 | -173.8 | 67.9 | 0 | 0 | 0 | 0 | 114.8 | D66 K71 | D66-T69 WeakPolarHBondContact CB-OG1 3.12Å; D66-T69 VanDerWaalsContact OD2-CB 3.26Å; D66-T69 WeakPolarHBondContact OD2-CB 3.38Å; D66-T69 VanDerWaalsContact OD2-CG2 3.25Å; D66-T69 WeakPolarHBondContact OD2-CG2 3.3Å; D66-T69 PolarHBondContact OD2-N 3.46Å; D66-T69 PolarHBondContact OD2-OG1 3.28Å; T69-K71 PolarHBondContact O-N 2.85Å |
| 70 | K | 87.1 | Confident | 91.8 | Very high | 141 Ų | 141 | 61 Ų | 61 | 61% | 0.613 | 30% | 0.299 | S | S | * | . | trans | 57.6 | 0.2 | -175.5 | -48.9 | -54 | -173.7 | -168.1 | 0 | 116.3 | D66 P67 | D66-K70 VanDerWaalsContact O-CA 3.24Å; D66-K70 WeakPolarHBondContact O-CA 3.45Å; D66-K70 PolarHBondContact O-N 3.08Å; P67-K70 WeakPolarHBondContact O-CE 3.46Å; P67-K70 PolarHBondContact O-NZ 2.84Å | ||
| 71 | K | 87.7 | Confident | 91.8 | Very high | 132 Ų | 132 | 59.9 Ų | 59.9 | 57% | 0.574 | 30% | 0.302 | S | S | * | . | trans | -60.3 | 144.4 | 171.2 | -90.2 | -172 | 170.1 | -175.4 | 0 | 111.2 | R65 D66 T69 | R65-K71 CarbonylContact C-O 3.48Å; R65-K71 VanDerWaalsContact CA-O 3.24Å; R65-K71 WeakPolarHBondContact CA-O 3.39Å; D66-K71 PolarHBondContact N-O 3.41Å; T69-K71 PolarHBondContact O-N 2.85Å | ||
| 72 | A | 89.2 | Confident | 91.8 | Very high | 5 Ų | 5 | 62.4 Ų | 62.4 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 136.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V63 R65 G74 | V63-A72 HydrophobicContact CG1-CB 3.92Å; R65-A72 HydrophobicContact CG-CB 4.36Å; A72-G74 PolarHBondContact O-N 3.41Å |
| 73 | R | 90.6 | Very high | 91.7 | Very high | 137 Ų | 137 | 63.2 Ų | 63.2 | 52% | 0.517 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 5.8 | -175.7 | -63 | 169.9 | 62 | -179.4 | -1.6 | 113.3 | M64 R65 F75 | M64-R73 VanDerWaalsContact O-CB 3.29Å; M64-R73 WeakPolarHBondContact O-CB 3.18Å; M64-R73 WeakPolarHBondContact O-CG 3.36Å; M64-R73 PolarHBondContact O-N 3.2Å; R65-R73 WeakPolarHBondContact O-CD 3.44Å; R73-F75 VanDerWaalsContact C-N 3.35Å; R73-F75 HydrophobicContact CB-CD1 3.83Å; R73-F75 HydrophobicContact CB-CE1 3.6Å |
| 74 | G | 92.3 | Very high | 91.7 | Very high | 14 Ų | 14 | 66.4 Ų | 66.4 | 14% | 0.144 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.7 | 16.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G38 L39 A72 | G38-G74 PolarHBondContact N-O 2.95Å; L39-G74 PolarHBondContact N-O 3.24Å; A72-G74 PolarHBondContact O-N 3.41Å |
| 75 | F | 94 | Very high | 91.6 | Very high | 43 Ų | 43 | 64 Ų | 64 | 19% | 0.189 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 162.4 | 173.3 | 70.4 | -87.1 | 0 | 0 | 0 | 112.3 | F35 I36 M64 R73 F77 | F35-F75 HydrophobicContact CD2-CD2 4.31Å; F35-F75 HydrophobicContact CE2-CB 3.87Å; F35-F75 AromaticContact CE2-CD2 3.55Å; F35-F75 HydrophobicContact CE2-CD2 3.55Å; F35-F75 HydrophobicContact CE2-CE2 4.29Å; F35-F75 AromaticContact CE2-CG 3.92Å; F35-F75 HydrophobicContact CE2-CG 3.92Å; F35-F75 HydrophobicContact CZ-CB 3.87Å; F35-F75 HydrophobicContact CZ-CD2 4.35Å; F35-F75 HydrophobicContact CZ-CG 4.28Å; I36-F75 CarbonylContact O-C 3.53Å; I36-F75 WeakPolarHBondContact O-CA 3.32Å; I36-F75 WeakPolarHBondContact O-CB 3.25Å; M64-F75 HydrophobicContact CB-CD2 3.91Å; M64-F75 HydrophobicContact CB-CE1 4.41Å; M64-F75 HydrophobicContact CB-CE2 3.63Å; M64-F75 HydrophobicContact CB-CG 4.44Å; M64-F75 HydrophobicContact CB-CZ 3.9Å; M64-F75 WeakPolarHBondContact CB-O 3.06Å; M64-F75 HydrophobicContact CE-CE2 4.34Å; M64-F75 HydrophobicContact CG-CD2 3.81Å; M64-F75 HydrophobicContact CG-CE2 3.52Å; M64-F75 HydrophobicContact CG-CZ 4.25Å; M64-F75 PolarHBondContact N-O 3.01Å; R73-F75 VanDerWaalsContact C-N 3.35Å; R73-F75 HydrophobicContact CB-CD1 3.83Å; R73-F75 HydrophobicContact CB-CE1 3.6Å; F75-F77 HydrophobicContact CD2-CE2 4.44Å; F75-F77 HydrophobicContact CE2-CE2 4.23Å |
| 76 | G | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | -177.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I36 V62 | I36-G76 PolarHBondContact N-O 3.34Å; I36-G76 PolarHBondContact O-N 2.89Å; V62-G76 CarbonylContact O-C 3.53Å; V62-G76 WeakPolarHBondContact O-CA 3.45Å |
| 77 | F | 94.5 | Very high | 91.7 | Very high | 32 Ų | 32 | 61.9 Ų | 61.9 | 14% | 0.14 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 148.3 | 171.2 | -64.9 | -87.3 | 0 | 0 | 0 | 109.7 | M34 F35 C61 V62 M64 F75 A107 | M34-F77 VanDerWaalsContact O-CA 3.28Å; M34-F77 WeakPolarHBondContact O-CA 3.3Å; F35-F77 HydrophobicContact CB-CD1 4.26Å; F35-F77 HydrophobicContact CB-CE1 4.02Å; F35-F77 HydrophobicContact CD2-CD1 4.48Å; F35-F77 AromaticContact CD2-CE1 3.84Å; F35-F77 HydrophobicContact CD2-CE1 3.84Å; F35-F77 AromaticContact CD2-CZ 3.92Å; F35-F77 HydrophobicContact CD2-CZ 3.92Å; F35-F77 HydrophobicContact CG-CE1 4.44Å; C61-F77 WeakPolarHBondContact CA-O 3.46Å; V62-F77 PolarHBondContact N-O 2.88Å; V62-F77 PolarHBondContact O-N 2.94Å; M64-F77 HydrophobicContact CE-CE2 4.45Å; M64-F77 HydrophobicContact CG-CD2 4.02Å; M64-F77 HydrophobicContact CG-CE2 4.05Å; M64-F77 HydrophobicContact SD-CD2 4.23Å; M64-F77 HydrophobicContact SD-CE2 4.28Å; F75-F77 HydrophobicContact CD2-CE2 4.44Å; F75-F77 HydrophobicContact CE2-CE2 4.23Å; F77-A107 HydrophobicContact CD1-CB 4.29Å; F77-A107 HydrophobicContact CE1-CB 4.38Å |
| 78 | I | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 156.9 | 168.3 | 64.4 | 179.9 | 0 | 0 | 0 | 109.1 | K33 M34 I36 L48 F52 E60 C61 F80 | K33-I78 CarbonylContact C-O 3.57Å; K33-I78 WeakPolarHBondContact CA-O 3.39Å; M34-I78 HydrophobicContact CB-CD1 4.31Å; M34-I78 HydrophobicContact CB-CG1 3.81Å; M34-I78 PolarHBondContact N-O 2.81Å; M34-I78 PolarHBondContact O-N 3.16Å; I36-I78 HydrophobicContact CD1-CD1 3.72Å; I36-I78 HydrophobicContact CD1-CG1 3.94Å; I36-I78 HydrophobicContact CG1-CD1 4.26Å; I36-I78 HydrophobicContact CG1-CG1 4.18Å; I36-I78 HydrophobicContact CG1-CG2 4.24Å; L48-I78 HydrophobicContact CD2-CG2 3.9Å; L48-I78 HydrophobicContact CG-CG2 4.01Å; F52-I78 HydrophobicContact CB-CD1 3.72Å; F52-I78 HydrophobicContact CD1-CD1 3.55Å; F52-I78 HydrophobicContact CD2-CD1 3.71Å; F52-I78 HydrophobicContact CD2-CG2 4.31Å; F52-I78 HydrophobicContact CE1-CD1 4.11Å; F52-I78 HydrophobicContact CE2-CD1 4.25Å; F52-I78 HydrophobicContact CG-CD1 3.34Å; F52-I78 HydrophobicContact CZ-CD1 4.43Å; E60-I78 CarbonylContact O-C 3.58Å; E60-I78 VanDerWaalsContact O-CA 3.3Å; E60-I78 WeakPolarHBondContact O-CA 3.49Å; C61-I78 HydrophobicContact CB-CG2 4.11Å; I78-F80 HydrophobicContact CD1-CD2 4.45Å; I78-F80 HydrophobicContact CD1-CE2 3.62Å; I78-F80 HydrophobicContact CD1-CZ 3.83Å; I78-F80 HydrophobicContact CG1-CE2 4.33Å |
| 79 | R | 93.5 | Very high | 91.9 | Very high | 78 Ų | 78 | 55.9 Ų | 55.9 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 111.7 | 176.4 | -169.9 | -176.1 | -178 | -84.3 | -2.2 | 109.1 | D30 G32 T59 E60 | D30-R79 VanDerWaalsContact CG-NE 3.27Å; D30-R79 IonicContact OD1-CZ 2.65Å; D30-R79 IonicContact OD1-NE 2.66Å; D30-R79 PolarHBondContact OD1-NE 3.45Å; D30-R79 IonicContact OD1-NH2 2.69Å; D30-R79 PolarHBondContact OD1-NH2 3.48Å; D30-R79 IonicContact OD2-CZ 2.66Å; D30-R79 IonicContact OD2-NE 3.36Å; D30-R79 PolarHBondContact OD2-NE 3.15Å; D30-R79 IonicContact OD2-NH2 2.81Å; G32-R79 WeakPolarHBondContact O-CA 3.29Å; T59-R79 PolarHBondContact N-O 2.83Å; T59-R79 PolarHBondContact OG1-NH1 3.29Å; T59-R79 PolarHBondContact OG1-O 3.37Å; E60-R79 HydrophobicContact CB-CB 3.58Å; E60-R79 PolarHBondContact N-O 3.48Å; E60-R79 PolarHBondContact O-N 3.18Å |
| 80 | F | 94.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 156.7 | 174.4 | -70.8 | -75.5 | 0 | 0 | 0 | 111.7 | G32 M34 F52 F55 G56 Q57 V58 I78 D82 S85 V86 V89 | G32-F80 PolarHBondContact O-N 3.4Å; M34-F80 HydrophobicContact SD-CD2 4.41Å; M34-F80 HydrophobicContact SD-CE2 3.88Å; F52-F80 HydrophobicContact CB-CE1 4.39Å; F52-F80 HydrophobicContact CB-CZ 4.01Å; F52-F80 HydrophobicContact CD1-CZ 4.15Å; F52-F80 HydrophobicContact CG-CZ 4.48Å; F52-F80 WeakPolarHBondContact O-CE1 3.41Å; F55-F80 HydrophobicContact CB-CE1 4.41Å; F55-F80 HydrophobicContact CB-CZ 4.29Å; G56-F80 WeakPolarHBondContact O-CE1 3.42Å; Q57-F80 CarbonylContact O-C 3.5Å; Q57-F80 WeakPolarHBondContact O-CA 3.38Å; V58-F80 HydrophobicContact CG2-CD1 4.1Å; V58-F80 HydrophobicContact CG2-CE1 3.83Å; I78-F80 HydrophobicContact CD1-CD2 4.45Å; I78-F80 HydrophobicContact CD1-CE2 3.62Å; I78-F80 HydrophobicContact CD1-CZ 3.83Å; I78-F80 HydrophobicContact CG1-CE2 4.33Å; F80-D82 WeakPolarHBondContact CB-O 3.49Å; F80-S85 VanDerWaalsContact CD1-CB 3.44Å; F80-S85 VanDerWaalsContact CG-CB 3.46Å; F80-V86 HydrophobicContact CD2-CG2 3.94Å; F80-V89 HydrophobicContact CE2-CG2 3.91Å; F80-V89 HydrophobicContact CZ-CG2 3.81Å |
| 81 | A | 92.2 | Very high | 92.1 | Very high | 49 Ų | 49 | 58.1 Ų | 58.1 | 41% | 0.405 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -67.2 | -47.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q57 T59 | Q57-A81 HydrophobicContact CB-CB 4.16Å; Q57-A81 HydrophobicContact CG-CB 4.49Å; Q57-A81 PolarHBondContact O-N 3.36Å; T59-A81 HydrophobicContact CG2-CB 3.74Å |
| 82 | D | 92.2 | Very high | 92.2 | Very high | 92 Ų | 92 | 56 Ų | 56 | 49% | 0.492 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -100.9 | 128.1 | 178.7 | -57.5 | -56 | 0 | 0 | 0 | 112 | F80 S84 S85 | F80-D82 WeakPolarHBondContact CB-O 3.49Å; D82-S84 PolarHBondContact O-N 3.42Å; D82-S85 WeakPolarHBondContact O-CB 3.29Å; D82-S85 PolarHBondContact O-N 3.31Å |
| 83 | T | 90.7 | Very high | 91.9 | Very high | 69 Ų | 69 | 61.3 Ų | 61.3 | 42% | 0.423 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55 | -32.5 | 168.2 | -49.7 | 0 | 0 | 0 | 0 | 111.9 | P31 S85 V86 | P31-T83 HydrophobicContact CB-CG2 3.99Å; P31-T83 HydrophobicContact CG-CG2 4.49Å; T83-S85 PolarHBondContact O-N 3.29Å; T83-V86 VanDerWaalsContact O-CB 3.27Å; T83-V86 WeakPolarHBondContact O-CB 3.25Å; T83-V86 PolarHBondContact O-N 2.99Å |
| 84 | S | 92 | Very high | 91.8 | Very high | 75 Ų | 75 | 57.6 Ų | 57.6 | 52% | 0.524 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.6 | -22.8 | 174.8 | -49.8 | 0 | 0 | 0 | 0 | 114 | D82 K88 | D82-S84 PolarHBondContact O-N 3.42Å; S84-K88 WeakPolarHBondContact O-CG 3.26Å; S84-K88 PolarHBondContact O-N 2.97Å |
| 85 | S | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -77.7 | -30.4 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 112.6 | F55 F80 D82 T83 E87 K88 V89 | F55-S85 PolarHBondContact O-OG 3.25Å; F80-S85 VanDerWaalsContact CD1-CB 3.44Å; F80-S85 VanDerWaalsContact CG-CB 3.46Å; D82-S85 WeakPolarHBondContact O-CB 3.29Å; D82-S85 PolarHBondContact O-N 3.31Å; T83-S85 PolarHBondContact O-N 3.29Å; S85-E87 VanDerWaalsContact C-N 3.3Å; S85-E87 PolarHBondContact O-N 3.41Å; S85-K88 PolarHBondContact O-N 2.96Å; S85-V89 WeakPolarHBondContact O-CG2 3.44Å; S85-V89 PolarHBondContact O-N 3.41Å; S85-V89 VanDerWaalsContact O-N 3.08Å |
| 86 | V | 91.5 | Very high | 91.7 | Very high | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 171.8 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | M34 F80 T83 V89 L90 V106 | M34-V86 HydrophobicContact CE-CG1 4Å; M34-V86 HydrophobicContact CG-CB 4.39Å; M34-V86 HydrophobicContact CG-CG1 3.92Å; M34-V86 HydrophobicContact CG-CG2 3.9Å; M34-V86 HydrophobicContact SD-CB 4.13Å; M34-V86 HydrophobicContact SD-CG1 3.81Å; M34-V86 HydrophobicContact SD-CG2 4.11Å; F80-V86 HydrophobicContact CD2-CG2 3.94Å; T83-V86 VanDerWaalsContact O-CB 3.27Å; T83-V86 WeakPolarHBondContact O-CB 3.25Å; T83-V86 PolarHBondContact O-N 2.99Å; V86-V89 PolarHBondContact O-N 3.17Å; V86-L90 HydrophobicContact CG1-CD1 3.89Å; V86-L90 HydrophobicContact CG1-CG 4.47Å; V86-L90 VanDerWaalsContact O-CG 3.31Å; V86-L90 WeakPolarHBondContact O-CG 3.49Å; V86-L90 PolarHBondContact O-N 3.32Å; V86-V106 HydrophobicContact CG1-CG2 4.33Å |
| 87 | E | 91.1 | Very high | 91.6 | Very high | 100 Ų | 100 | 61.9 Ų | 61.9 | 47% | 0.467 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 174.8 | -72 | -167.2 | -142.6 | 0 | 0 | 113.1 | S85 V89 L90 R91 | S85-E87 VanDerWaalsContact C-N 3.3Å; S85-E87 PolarHBondContact O-N 3.41Å; E87-V89 VanDerWaalsContact C-N 3.29Å; E87-V89 PolarHBondContact O-N 2.8Å; E87-L90 PolarHBondContact O-N 3.05Å; E87-R91 WeakPolarHBondContact O-CB 3.24Å; E87-R91 WeakPolarHBondContact O-CD 3.27Å; E87-R91 WeakPolarHBondContact O-CG 3.33Å; E87-R91 PolarHBondContact O-N 3.15Å; E87-R91 IonicContact OE2-CZ 3.56Å; E87-R91 IonicContact OE2-NE 3.65Å; E87-R91 IonicContact OE2-NH2 2.67Å; E87-R91 PolarHBondContact OE2-NH2 2.58Å |
| 88 | K | 92.3 | Very high | 91.3 | Very high | 106 Ų | 106 | 63.7 Ų | 63.7 | 46% | 0.461 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 177.5 | -66.8 | 169.2 | -168.1 | 168.4 | 0 | 111.8 | F55 S84 S85 | F55-K88 HydrophobicContact CB-CB 4.35Å; F55-K88 HydrophobicContact CD1-CB 4.15Å; F55-K88 WeakPolarHBondContact O-CD 3.24Å; F55-K88 PolarHBondContact O-NZ 3.47Å; S84-K88 WeakPolarHBondContact O-CG 3.26Å; S84-K88 PolarHBondContact O-N 2.97Å; S85-K88 PolarHBondContact O-N 2.96Å |
| 89 | V | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.8 | -54.6 | 173.2 | 172.2 | 0 | 0 | 0 | 0 | 110.1 | M34 F52 F55 F80 S85 V86 E87 R91 H92 H95 P104 | M34-V89 HydrophobicContact CE-CB 4.15Å; M34-V89 HydrophobicContact CE-CG1 3.66Å; M34-V89 HydrophobicContact SD-CB 3.96Å; M34-V89 HydrophobicContact SD-CG1 3.87Å; M34-V89 HydrophobicContact SD-CG2 4.27Å; F52-V89 HydrophobicContact CD1-CG2 3.86Å; F52-V89 HydrophobicContact CE1-CG1 3.86Å; F52-V89 HydrophobicContact CE1-CG2 4.02Å; F55-V89 HydrophobicContact CB-CG2 3.83Å; F55-V89 HydrophobicContact CD1-CG2 4.16Å; F55-V89 HydrophobicContact CD2-CG2 3.69Å; F55-V89 HydrophobicContact CE2-CG2 4.29Å; F55-V89 HydrophobicContact CG-CG2 3.61Å; F80-V89 HydrophobicContact CE2-CG2 3.91Å; F80-V89 HydrophobicContact CZ-CG2 3.81Å; S85-V89 WeakPolarHBondContact O-CG2 3.44Å; S85-V89 PolarHBondContact O-N 3.41Å; S85-V89 VanDerWaalsContact O-N 3.08Å; V86-V89 PolarHBondContact O-N 3.17Å; E87-V89 VanDerWaalsContact C-N 3.29Å; E87-V89 PolarHBondContact O-N 2.8Å; V89-R91 PolarHBondContact O-N 2.75Å; V89-R91 VanDerWaalsContact O-N 3.17Å; V89-H92 WeakPolarHBondContact O-CB 3.21Å; V89-H92 PolarHBondContact O-N 3.05Å; V89-H95 PolarHBondContact O-NE2 2.82Å; V89-H95 VanDerWaalsContact O-NE2 3.1Å; V89-P104 HydrophobicContact CG1-CB 3.67Å; V89-P104 HydrophobicContact CG1-CG 3.61Å |
| 90 | L | 90.7 | Very high | 91 | Very high | 87 Ų | 87 | 66.9 Ų | 66.9 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.4 | -22.7 | -176.9 | -66.6 | 171.1 | 0 | 0 | 0 | 114.3 | M34 V86 E87 H92 V106 | M34-L90 HydrophobicContact CE-CD2 3.82Å; M34-L90 HydrophobicContact CE-CG 3.9Å; V86-L90 HydrophobicContact CG1-CD1 3.89Å; V86-L90 HydrophobicContact CG1-CG 4.47Å; V86-L90 VanDerWaalsContact O-CG 3.31Å; V86-L90 WeakPolarHBondContact O-CG 3.49Å; V86-L90 PolarHBondContact O-N 3.32Å; E87-L90 PolarHBondContact O-N 3.05Å; L90-H92 VanDerWaalsContact C-N 3.32Å; L90-V106 HydrophobicContact CD1-CG2 3.77Å |
| 91 | R | 91.7 | Very high | 91 | Very high | 191 Ų | 191 | 73.5 Ų | 73.5 | 72% | 0.721 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -13.8 | 172.7 | -70.3 | 166.9 | -168.6 | -144.4 | 9.5 | 113.3 | E87 V89 | E87-R91 WeakPolarHBondContact O-CB 3.24Å; E87-R91 WeakPolarHBondContact O-CD 3.27Å; E87-R91 WeakPolarHBondContact O-CG 3.33Å; E87-R91 PolarHBondContact O-N 3.15Å; E87-R91 IonicContact OE2-CZ 3.56Å; E87-R91 IonicContact OE2-NE 3.65Å; E87-R91 IonicContact OE2-NH2 2.67Å; E87-R91 PolarHBondContact OE2-NH2 2.58Å; V89-R91 PolarHBondContact O-N 2.75Å; V89-R91 VanDerWaalsContact O-N 3.17Å |
| 92 | H | 90.5 | Very high | 91.1 | Very high | 88 Ų | 88 | 71.4 Ų | 71.4 | 41% | 0.407 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -87.3 | 123.7 | -178.4 | -156.8 | -94.1 | 0 | 0 | 0 | 110.3 | F55 V89 L90 S94 | F55-H92 HydrophobicContact CE1-CB 4.31Å; V89-H92 WeakPolarHBondContact O-CB 3.21Å; V89-H92 PolarHBondContact O-N 3.05Å; L90-H92 VanDerWaalsContact C-N 3.32Å; H92-S94 VanDerWaalsContact C-N 3.29Å; H92-S94 PolarHBondContact CE1-O 3.16Å; H92-S94 VanDerWaalsContact CE1-O 3.28Å; H92-S94 PolarHBondContact ND1-O 3.41Å; H92-S94 PolarHBondContact O-N 2.89Å |
| 93 | P | 81.9 | Confident | 91.1 | Very high | 116 Ų | 116 | 70.6 Ų | 70.6 | 75% | 0.753 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -74.3 | -15.6 | -164.9 | 29.2 | -37.1 | 0 | 0 | 0 | 114.8 | ||
| 94 | S | 88.8 | Confident | 91.2 | Very high | 59 Ų | 59 | 68 Ų | 68 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | trans | -157.6 | 138 | 177.2 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | H92 | H92-S94 VanDerWaalsContact C-N 3.29Å; H92-S94 PolarHBondContact CE1-O 3.16Å; H92-S94 VanDerWaalsContact CE1-O 3.28Å; H92-S94 PolarHBondContact ND1-O 3.41Å; H92-S94 PolarHBondContact O-N 2.89Å | ||
| 95 | H | 92.5 | Very high | 91.2 | Very high | 5 Ų | 5 | 69.2 Ų | 69.2 | 2% | 0.023 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 143.2 | 170.1 | -65.2 | -89.3 | 0 | 0 | 0 | 109.4 | Y51 F55 V89 K101 I102 P104 | Y51-H95 HydrophobicContact CE1-CB 4.09Å; Y51-H95 AromaticContact CE1-ND1 3.63Å; Y51-H95 AromaticContact CZ-ND1 3.81Å; Y51-H95 WeakPolarHBondContact OH-CA 3.46Å; Y51-H95 WeakPolarHBondContact OH-CB 3.42Å; Y51-H95 PolarHBondContact OH-ND1 2.96Å; Y51-H95 VanDerWaalsContact OH-ND1 3.1Å; F55-H95 AromaticContact CE2-CE1 3.76Å; F55-H95 AromaticContact CE2-ND1 3.91Å; F55-H95 AromaticContact CZ-CE1 3.38Å; F55-H95 WeakPolarHBondContact CZ-CE1 3.41Å; F55-H95 AromaticContact CZ-ND1 3.71Å; V89-H95 PolarHBondContact O-NE2 2.82Å; V89-H95 VanDerWaalsContact O-NE2 3.1Å; H95-K101 CarbonylContact O-C 3.57Å; H95-K101 VanDerWaalsContact O-CA 3.3Å; H95-K101 WeakPolarHBondContact O-CA 3.22Å; H95-K101 WeakPolarHBondContact O-CG 3.49Å; H95-I102 HydrophobicContact CB-CD1 3.99Å; H95-I102 HydrophobicContact CB-CG1 3.38Å; H95-I102 PolarHBondContact O-N 3.18Å; H95-P104 WeakPolarHBondContact CD2-CG 3.43Å |
| 96 | E | 92.4 | Very high | 91.1 | Very high | 124 Ų | 124 | 72.8 Ų | 72.8 | 58% | 0.579 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 134.2 | 179.2 | -168.7 | 172.6 | 152.6 | 0 | 0 | 109.4 | Y51 K100 | Y51-E96 VanDerWaalsContact CE2-O 3.25Å; Y51-E96 WeakPolarHBondContact CE2-O 3.38Å; Y51-E96 PolarHBondContact OH-N 2.88Å; E96-K100 VanDerWaalsContact CA-O 3.32Å; E96-K100 WeakPolarHBondContact CA-O 3.28Å; E96-K100 WeakPolarHBondContact CG-O 3.3Å |
| 97 | L | 91.3 | Very high | 90.9 | Very high | 18 Ų | 18 | 73 Ų | 73 | 9% | 0.094 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 135.9 | -179.2 | -174.7 | 59.6 | 0 | 0 | 0 | 108.3 | T43 L48 Y51 G99 K100 I102 | T43-L97 HydrophobicContact CG2-CD2 3.7Å; T43-L97 HydrophobicContact CG2-CG 4.36Å; L48-L97 HydrophobicContact CD1-CD2 3.97Å; Y51-L97 HydrophobicContact CD2-CD1 4.25Å; Y51-L97 HydrophobicContact CG-CD1 4.11Å; L97-G99 PolarHBondContact O-N 2.91Å; L97-K100 PolarHBondContact N-O 2.97Å; L97-K100 PolarHBondContact O-N 2.95Å; L97-I102 HydrophobicContact CB-CD1 4.07Å; L97-I102 HydrophobicContact CB-CG2 4.15Å; L97-I102 HydrophobicContact CD2-CD1 4.44Å |
| 98 | D | 89.3 | Confident | 90.4 | Very high | 70 Ų | 70 | 77.2 Ų | 77.2 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 35.8 | -176.2 | -47.9 | -35.1 | 0 | 0 | 0 | 114.4 | T43 K100 | T43-D98 WeakPolarHBondContact CA-OD2 3.35Å; T43-D98 WeakPolarHBondContact CB-OD2 3.08Å; T43-D98 PolarHBondContact N-OD2 3.46Å; T43-D98 PolarHBondContact OG1-OD2 3.17Å; D98-K100 VanDerWaalsContact C-N 3.28Å; D98-K100 PolarHBondContact O-N 3.04Å |
| 99 | G | 88.9 | Confident | 89.5 | Confident | 63 Ų | 63 | 75.2 Ų | 75.2 | 65% | 0.649 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 20.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L97 | L97-G99 PolarHBondContact O-N 2.91Š|
| 100 | K | 91.9 | Very high | 88.1 | Confident | 83 Ų | 83 | 80.5 Ų | 80.5 | 36% | 0.361 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.1 | 173.1 | -67.1 | -161 | -173.6 | -174 | 0 | 111.9 | E96 L97 D98 I102 | E96-K100 VanDerWaalsContact CA-O 3.32Å; E96-K100 WeakPolarHBondContact CA-O 3.28Å; E96-K100 WeakPolarHBondContact CG-O 3.3Å; L97-K100 PolarHBondContact N-O 2.97Å; L97-K100 PolarHBondContact O-N 2.95Å; D98-K100 VanDerWaalsContact C-N 3.28Å; D98-K100 PolarHBondContact O-N 3.04Å; K100-I102 PolarHBondContact O-N 2.87Å |
| 101 | K | 93.1 | Very high | 86.5 | Confident | 142 Ų | 142 | 86.9 Ų | 86.9 | 62% | 0.617 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 123.1 | 168.3 | -172.6 | 171.1 | -176 | 170.7 | 0 | 110 | H95 | H95-K101 CarbonylContact O-C 3.57Å; H95-K101 VanDerWaalsContact O-CA 3.3Å; H95-K101 WeakPolarHBondContact O-CA 3.22Å; H95-K101 WeakPolarHBondContact O-CG 3.49Å |
| 102 | I | 94.4 | Very high | 84.8 | Confident | 4 Ų | 4 | 83.5 Ų | 83.5 | 2% | 0.021 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 156 | 178.1 | 69.7 | 178.8 | 0 | 0 | 0 | 110.6 | I36 G37 L39 Y51 F52 H95 L97 K100 P104 | I36-I102 HydrophobicContact CG2-CB 4.34Å; I36-I102 HydrophobicContact CG2-CD1 3.96Å; I36-I102 HydrophobicContact CG2-CG1 4.43Å; G37-I102 WeakPolarHBondContact O-CA 3.48Å; G37-I102 WeakPolarHBondContact O-CB 3.32Å; L39-I102 HydrophobicContact CD2-CB 4.4Å; L39-I102 HydrophobicContact CD2-CD1 4.46Å; L39-I102 HydrophobicContact CD2-CG2 3.88Å; Y51-I102 HydrophobicContact CD1-CD1 4.24Å; Y51-I102 HydrophobicContact CE1-CD1 4Å; F52-I102 HydrophobicContact CE2-CD1 3.79Å; F52-I102 HydrophobicContact CZ-CD1 3.7Å; H95-I102 HydrophobicContact CB-CD1 3.99Å; H95-I102 HydrophobicContact CB-CG1 3.38Å; H95-I102 PolarHBondContact O-N 3.18Å; L97-I102 HydrophobicContact CB-CD1 4.07Å; L97-I102 HydrophobicContact CB-CG2 4.15Å; L97-I102 HydrophobicContact CD2-CD1 4.44Å; K100-I102 PolarHBondContact O-N 2.87Å; I102-P104 WeakPolarHBondContact O-CD 3.37Å |
| 103 | D | 92.3 | Very high | 82.8 | Confident | 75 Ų | 75 | 86.6 Ų | 86.6 | 40% | 0.401 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 82.6 | -169.2 | 177.5 | 29.7 | 0 | 0 | 0 | 109.5 | G37 K105 | G37-D103 PolarHBondContact N-O 2.94Å; G37-D103 PolarHBondContact O-N 3.13Å; D103-K105 WeakPolarHBondContact OD1-CE 3.4Å; D103-K105 IonicContact OD1-NZ 3.04Å; D103-K105 PolarHBondContact OD1-NZ 3.25Å; D103-K105 IonicContact OD2-NZ 2.66Å; D103-K105 PolarHBondContact OD2-NZ 3.49Å |
| 104 | P | 93.1 | Very high | 81.2 | Confident | 15 Ų | 15 | 85.6 Ų | 85.6 | 10% | 0.097 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 130.3 | 179.7 | 31.9 | -32.4 | 0 | 0 | 0 | 111.3 | M34 F35 I36 F52 V89 H95 I102 | M34-P104 HydrophobicContact CE-CB 4.1Å; F35-P104 WeakPolarHBondContact O-CA 3.27Å; I36-P104 HydrophobicContact CD1-CB 3.6Å; F52-P104 HydrophobicContact CE1-CB 4.32Å; F52-P104 HydrophobicContact CZ-CB 4.19Å; V89-P104 HydrophobicContact CG1-CB 3.67Å; V89-P104 HydrophobicContact CG1-CG 3.61Å; H95-P104 WeakPolarHBondContact CD2-CG 3.43Å; I102-P104 WeakPolarHBondContact O-CD 3.37Å |
| 105 | K | 91.7 | Very high | 79.1 | Confident | 101 Ų | 101 | 92.3 Ų | 92.3 | 44% | 0.439 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 156.5 | -179.3 | -77.4 | 163.9 | 175 | 155.9 | 0 | 109.8 | M34 F35 D103 A107 | M34-K105 CarbonylContact C-O 3.55Å; M34-K105 VanDerWaalsContact CA-O 3.3Å; M34-K105 WeakPolarHBondContact CA-O 3.4Å; M34-K105 WeakPolarHBondContact CB-O 3.45Å; F35-K105 PolarHBondContact N-O 3.03Å; F35-K105 PolarHBondContact O-N 2.81Å; D103-K105 WeakPolarHBondContact OD1-CE 3.4Å; D103-K105 IonicContact OD1-NZ 3.04Å; D103-K105 PolarHBondContact OD1-NZ 3.25Å; D103-K105 IonicContact OD2-NZ 2.66Å; D103-K105 PolarHBondContact OD2-NZ 3.49Å; K105-A107 PolarHBondContact O-N 2.83Å |
| 106 | V | 90.2 | Very high | 77.1 | Confident | 75 Ų | 75 | 98.3 Ų | 98.3 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 130.8 | 166.9 | -176.9 | 0 | 0 | 0 | 0 | 107.9 | V86 L90 F108 | V86-V106 HydrophobicContact CG1-CG2 4.33Å; L90-V106 HydrophobicContact CD1-CG2 3.77Å; V106-F108 PolarHBondContact O-N 2.86Å; V106-F108 VanDerWaalsContact O-N 3.13Å |
| 107 | A | 87.2 | Confident | 75.4 | Confident | 12 Ų | 12 | 95.3 Ų | 95.3 | 10% | 0.099 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 116.3 | 175 | 0 | 0 | 0 | 0 | 0 | 107.6 | K33 F35 F77 K105 | K33-A107 HydrophobicContact CB-CB 4.04Å; K33-A107 HydrophobicContact CG-CB 4.1Å; K33-A107 WeakPolarHBondContact O-CB 3.4Å; K33-A107 PolarHBondContact O-N 2.74Å; F35-A107 HydrophobicContact CB-CB 4.5Å; F77-A107 HydrophobicContact CD1-CB 4.29Å; F77-A107 HydrophobicContact CE1-CB 4.38Å; K105-A107 PolarHBondContact O-N 2.83Å |
| 108 | F | 80.8 | Confident | 74.2 | Confident | 187 Ų | 187 | 96.5 Ų | 96.5 | 82% | 0.82 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 127.4 | 159.7 | -69.5 | -73.2 | 0 | 0 | 0 | 107 | V106 K110 | V106-F108 PolarHBondContact O-N 2.86Å; V106-F108 VanDerWaalsContact O-N 3.13Å; F108-K110 PolarHBondContact O-N 2.85Å |
| 109 | P | 73 | Confident | 73.4 | Confident | 65 Ų | 65 | 100.3 Ų | 100.3 | 42% | 0.422 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 139.8 | 176.1 | 22.9 | -32.6 | 0 | 0 | 0 | 107.6 | R111 | P109-R111 PolarHBondContact O-N 2.76Š|
| 110 | K | 65.4 | Low | 73.2 | Confident | 111 Ų | 111 | 98.6 Ų | 98.6 | 48% | 0.483 | 48% | 0.475 | S | S | . | . | trans | -64.8 | 86.3 | 165.1 | -66.1 | 179.4 | -156.7 | 150.5 | 0 | 106.2 | D26 F108 L112 | D26-K110 IonicContact OD1-NZ 3.71Å; D26-K110 WeakPolarHBondContact OD2-CD 3.39Å; D26-K110 IonicContact OD2-NZ 2.61Å; D26-K110 PolarHBondContact OD2-NZ 2.71Å; F108-K110 PolarHBondContact O-N 2.85Å; K110-L112 VanDerWaalsContact C-N 3.28Å; K110-L112 PolarHBondContact O-N 3.13Å | ||
| 111 | R | 56.6 | Low | 73.2 | Confident | 221 Ų | 221 | 98.7 Ų | 98.7 | 83% | 0.834 | 48% | 0.475 | S | S | * | . | trans | -51.5 | 108 | 154.5 | -73.3 | -170.7 | -76.5 | -170.1 | -6.1 | 104.1 | P109 Q113 | P109-R111 PolarHBondContact O-N 2.76Å; R111-Q113 PolarHBondContact O-N 3.34Å | ||
| 112 | L | 54.7 | Low | 73.2 | Confident | 119 Ų | 119 | 94.7 Ų | 94.7 | 62% | 0.623 | 46% | 0.458 | S | S | * | . | trans | -50.6 | 105.6 | 162.3 | -87.8 | 67.8 | 0 | 0 | 0 | 103.4 | K110 P114 | K110-L112 VanDerWaalsContact C-N 3.28Å; K110-L112 PolarHBondContact O-N 3.13Å; L112-P114 WeakPolarHBondContact O-CA 3.47Å; L112-P114 WeakPolarHBondContact O-CD 3.08Å | ||
| 113 | Q | 49.5 | Very low | 73.2 | Confident | 153 Ų | 153 | 94.5 Ų | 94.5 | 72% | 0.715 | 46% | 0.457 | S | S | * | . | trans | -46.8 | 109.7 | 170.8 | -87 | -84.6 | 7.2 | 0 | 0 | 104 | R111 K115 | R111-Q113 PolarHBondContact O-N 3.34Å; Q113-K115 PolarHBondContact O-N 2.95Å | ||
| 114 | P | 47.5 | Very low | 73.2 | Confident | 95 Ų | 95 | 93 Ų | 93 | 62% | 0.617 | 45% | 0.447 | S | S | * | . | trans | -81.6 | 60.2 | -157.7 | 29.5 | -34.2 | 0 | 0 | 0 | 108.7 | L112 M116 V117 | L112-P114 WeakPolarHBondContact O-CA 3.47Å; L112-P114 WeakPolarHBondContact O-CD 3.08Å; P114-M116 PolarHBondContact O-N 2.85Å; P114-V117 WeakPolarHBondContact O-CB 3.14Å; P114-V117 VanDerWaalsContact O-CG2 3.26Å; P114-V117 WeakPolarHBondContact O-CG2 3.41Å; P114-V117 PolarHBondContact O-N 2.79Å | ||
| 115 | K | 46.4 | Very low | 73.3 | Confident | 201 Ų | 201 | 92.3 Ų | 92.3 | 87% | 0.874 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 31.1 | 30 | -154.4 | -69.9 | -179.3 | 179.2 | 172.3 | 0 | 115.7 | Q113 V117 | Q113-K115 PolarHBondContact O-N 2.95Å; K115-V117 HydrophobicContact CB-CG2 4.05Å; K115-V117 PolarHBondContact O-N 3.21Å; K115-V117 VanDerWaalsContact O-N 3.17Å |
| 116 | M | 49.6 | Very low | 73.4 | Confident | 130 Ų | 130 | 88 Ų | 88 | 64% | 0.64 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 33.8 | 50.1 | -159.4 | -155.2 | -176.7 | 80.8 | 0 | 0 | 112.3 | P114 T118 | P114-M116 PolarHBondContact O-N 2.85Å; M116-T118 HydrophobicContact CE-CG2 4.42Å; M116-T118 PolarHBondContact O-N 2.96Å |
| 117 | V | 56.9 | Low | 73.5 | Confident | 62 Ų | 62 | 86 Ų | 86 | 38% | 0.376 | 42% | 0.421 | S | S | . | . | trans | -63.4 | 88.7 | 174.8 | 163.7 | 0 | 0 | 0 | 0 | 106.9 | P114 K115 K119 K195 | P114-V117 WeakPolarHBondContact O-CB 3.14Å; P114-V117 VanDerWaalsContact O-CG2 3.26Å; P114-V117 WeakPolarHBondContact O-CG2 3.41Å; P114-V117 PolarHBondContact O-N 2.79Å; K115-V117 HydrophobicContact CB-CG2 4.05Å; K115-V117 PolarHBondContact O-N 3.21Å; K115-V117 VanDerWaalsContact O-N 3.17Å; V117-K119 PolarHBondContact O-N 3.12Å; V117-K195 HydrophobicContact CG1-CD 3.64Å; V117-K195 VanDerWaalsContact CG1-NZ 3.29Å | ||
| 118 | T | 64.7 | Low | 73.8 | Confident | 42 Ų | 42 | 85.5 Ų | 85.5 | 26% | 0.258 | 42% | 0.417 | S | S | . | . | trans | -54.3 | 107.6 | 169.3 | 48.8 | 0 | 0 | 0 | 0 | 107.1 | M116 T120 | M116-T118 HydrophobicContact CE-CG2 4.42Å; M116-T118 PolarHBondContact O-N 2.96Å; T118-T120 WeakPolarHBondContact O-CB 3.4Å; T118-T120 VanDerWaalsContact O-CG2 3.24Å; T118-T120 WeakPolarHBondContact O-CG2 3.24Å; T118-T120 PolarHBondContact O-N 3.1Å | ||
| 119 | K | 73.5 | Confident | 74.3 | Confident | 150 Ų | 150 | 77.9 Ų | 77.9 | 65% | 0.652 | 39% | 0.387 | S | S | * | . | trans | -54.4 | 115.3 | 174.8 | -72.3 | -161.8 | 137.8 | -73.7 | 0 | 108 | V117 E172 | V117-K119 PolarHBondContact O-N 3.12Å; K119-E172 VanDerWaalsContact CA-OE1 3.27Å; K119-E172 WeakPolarHBondContact CA-OE1 3.2Å; K119-E172 VanDerWaalsContact CB-OE1 3.25Å; K119-E172 WeakPolarHBondContact CB-OE1 3.25Å; K119-E172 WeakPolarHBondContact CG-OE1 3.27Å; K119-E172 IonicContact NZ-OE1 2.8Å; K119-E172 PolarHBondContact NZ-OE1 3.3Å; K119-E172 IonicContact NZ-OE2 2.61Å; K119-E172 PolarHBondContact NZ-OE2 3.41Å | ||
| 120 | T | 85.5 | Confident | 75.1 | Confident | 28 Ų | 28 | 78.1 Ų | 78.1 | 17% | 0.172 | 39% | 0.394 | C | S | . | . | trans | -149.4 | 132.1 | -167.4 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | T118 K122 V175 K195 | T118-T120 WeakPolarHBondContact O-CB 3.4Å; T118-T120 VanDerWaalsContact O-CG2 3.24Å; T118-T120 WeakPolarHBondContact O-CG2 3.24Å; T118-T120 PolarHBondContact O-N 3.1Å; T120-K122 WeakPolarHBondContact CG2-O 3.46Å; T120-K122 PolarHBondContact O-N 2.75Å; T120-K122 PolarHBondContact OG1-N 3.33Å; T120-K122 VanDerWaalsContact OG1-N 3.12Å; T120-V175 HydrophobicContact CG2-CG1 4.42Å; T120-V175 WeakPolarHBondContact O-CG2 3.26Å; T120-K195 HydrophobicContact CG2-CB 3.96Å; T120-K195 HydrophobicContact CG2-CD 4.34Å; T120-K195 HydrophobicContact CG2-CG 4.42Å | ||
| 121 | K | 91.4 | Very high | 76.3 | Confident | 84 Ų | 84 | 76.7 Ų | 76.7 | 37% | 0.365 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -69.7 | -11.1 | 168.3 | -77.1 | -170.5 | 177.7 | -147.9 | 0 | 112.9 | T168 F169 D170 V175 | K121-T168 HydrophobicContact CB-CG2 3.9Å; K121-T168 CarbonylContact O-C 3.58Å; K121-T168 WeakPolarHBondContact O-CA 3.31Å; K121-F169 VanDerWaalsContact CB-O 3.28Å; K121-F169 WeakPolarHBondContact CB-O 3.19Å; K121-F169 WeakPolarHBondContact CD-O 3.4Å; K121-F169 WeakPolarHBondContact CG-O 3.4Å; K121-F169 PolarHBondContact O-N 3.44Å; K121-D170 WeakPolarHBondContact CD-O 3.12Å; K121-D170 WeakPolarHBondContact CE-O 2.99Å; K121-D170 PolarHBondContact NZ-O 3.15Å; K121-D170 IonicContact NZ-OD1 3.57Å; K121-D170 PolarHBondContact NZ-OD1 2.85Å; K121-V175 WeakPolarHBondContact O-CG2 3.49Å |
| 122 | K | 92.8 | Very high | 77.9 | Confident | 58 Ų | 58 | 66.2 Ų | 66.2 | 25% | 0.252 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.5 | -169 | -151.4 | 177.7 | -162.2 | 91.9 | 0 | 113 | T120 D149 F166 V167 T168 A196 | T120-K122 WeakPolarHBondContact CG2-O 3.46Å; T120-K122 PolarHBondContact O-N 2.75Å; T120-K122 PolarHBondContact OG1-N 3.33Å; T120-K122 VanDerWaalsContact OG1-N 3.12Å; K122-D149 IonicContact NZ-OD2 2.78Å; K122-D149 PolarHBondContact NZ-OD2 2.61Å; K122-F166 HydrophobicContact CD-CB 4.23Å; K122-F166 HydrophobicContact CG-CB 4.26Å; K122-V167 CarbonylContact C-O 3.5Å; K122-V167 VanDerWaalsContact CA-O 3.28Å; K122-V167 WeakPolarHBondContact CA-O 3.28Å; K122-V167 WeakPolarHBondContact CG-O 3.44Å; K122-T168 HydrophobicContact CB-CG2 4.33Å; K122-T168 HydrophobicContact CG-CG2 4.39Å; K122-T168 PolarHBondContact NZ-OG1 3.01Å; K122-A196 HydrophobicContact CB-CB 4Å; K122-A196 HydrophobicContact CG-CB 4.21Å; K122-A196 WeakPolarHBondContact O-CB 3.16Å; K122-A196 PolarHBondContact O-N 3.22Å |
| 123 | I | 93.8 | Very high | 79.6 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 147.9 | 166.7 | 50.6 | 168.5 | 0 | 0 | 0 | 111.6 | V125 F141 F166 V167 F169 V175 V178 V179 K194 | I123-V125 HydrophobicContact CD1-CG2 3.69Å; I123-V125 HydrophobicContact CG1-CG2 4.04Å; I123-F141 HydrophobicContact CD1-CD1 4Å; I123-F141 HydrophobicContact CD1-CE1 3.83Å; I123-F141 HydrophobicContact CD1-CG 4.49Å; I123-F141 HydrophobicContact CD1-CZ 4.18Å; I123-F166 WeakPolarHBondContact O-CA 3.41Å; I123-F166 WeakPolarHBondContact O-CB 3.46Å; I123-V167 HydrophobicContact CD1-CB 3.98Å; I123-V167 HydrophobicContact CD1-CG2 4.47Å; I123-V167 HydrophobicContact CG1-CB 3.77Å; I123-V167 WeakPolarHBondContact CG1-O 3.19Å; I123-V167 PolarHBondContact N-O 3.36Å; I123-V167 PolarHBondContact O-N 2.74Å; I123-V167 VanDerWaalsContact O-N 3.1Å; I123-F169 HydrophobicContact CD1-CE2 3.64Å; I123-F169 HydrophobicContact CD1-CZ 4.19Å; I123-F169 HydrophobicContact CG1-CE2 3.92Å; I123-V175 HydrophobicContact CG2-CB 4.31Å; I123-V175 HydrophobicContact CG2-CG1 3.7Å; I123-V175 HydrophobicContact CG2-CG2 4.22Å; I123-V178 HydrophobicContact CD1-CG1 3.84Å; I123-V179 HydrophobicContact CG2-CG2 3.95Å; I123-K194 CarbonylContact C-O 3.46Å; I123-K194 WeakPolarHBondContact CA-O 3.19Å |
| 124 | F | 93.5 | Very high | 81.7 | Confident | 45 Ų | 45 | 58.6 Ų | 58.6 | 20% | 0.197 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 132.6 | 158.7 | 168.7 | -88.6 | 0 | 0 | 0 | 108.1 | F164 F166 C193 K194 A196 | F124-F164 HydrophobicContact CD2-CD2 4.2Å; F124-F164 HydrophobicContact CE2-CB 3.89Å; F124-F164 AromaticContact CE2-CD2 3.48Å; F124-F164 HydrophobicContact CE2-CD2 3.48Å; F124-F164 VanDerWaalsContact CE2-CD2 3.48Å; F124-F164 HydrophobicContact CE2-CE2 4.15Å; F124-F164 AromaticContact CE2-CG 3.84Å; F124-F164 HydrophobicContact CE2-CG 3.84Å; F124-F164 HydrophobicContact CZ-CB 3.88Å; F124-F164 HydrophobicContact CZ-CD2 4.29Å; F124-F164 HydrophobicContact CZ-CG 4.19Å; F124-F166 HydrophobicContact CB-CD1 4.15Å; F124-F166 HydrophobicContact CB-CE1 4.05Å; F124-F166 HydrophobicContact CD2-CD1 4.42Å; F124-F166 AromaticContact CD2-CE1 3.83Å; F124-F166 HydrophobicContact CD2-CE1 3.83Å; F124-F166 HydrophobicContact CD2-CZ 4.06Å; F124-F166 HydrophobicContact CG-CE1 4.45Å; F124-C193 WeakPolarHBondContact O-CA 3.11Å; F124-K194 HydrophobicContact CD1-CB 4.38Å; F124-K194 PolarHBondContact N-O 3.07Å; F124-K194 PolarHBondContact O-N 3.35Å; F124-A196 HydrophobicContact CB-CB 4.46Å |
| 125 | V | 94.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 108.7 | -178.2 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | I123 L128 F141 F164 G165 V167 V191 | I123-V125 HydrophobicContact CD1-CG2 3.69Å; I123-V125 HydrophobicContact CG1-CG2 4.04Å; V125-L128 HydrophobicContact CG1-CD1 4.32Å; V125-L128 HydrophobicContact CG1-CD2 3.75Å; V125-L128 HydrophobicContact CG1-CG 4.15Å; V125-F141 HydrophobicContact CG1-CE2 3.85Å; V125-F141 HydrophobicContact CG1-CZ 3.96Å; V125-F141 HydrophobicContact CG2-CE2 3.82Å; V125-F141 HydrophobicContact CG2-CZ 3.88Å; V125-F164 CarbonylContact O-C 3.58Å; V125-F164 WeakPolarHBondContact O-CA 3.28Å; V125-F164 VanDerWaalsContact O-CB 3.31Å; V125-F164 WeakPolarHBondContact O-CB 3.27Å; V125-G165 PolarHBondContact N-O 3.28Å; V125-G165 PolarHBondContact O-N 2.8Å; V125-V167 HydrophobicContact CG2-CG2 4.13Å; V125-V191 HydrophobicContact CG1-CG1 3.36Å |
| 126 | G | 93.6 | Very high | 86 | Confident | 9 Ų | 9 | 51.6 Ų | 51.6 | 9% | 0.093 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 147.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V191 E192 | G126-V191 CarbonylContact O-C 3.57Å; G126-V191 WeakPolarHBondContact O-CA 3.42Å; G126-V191 VanDerWaalsContact O-CG1 3.31Å; G126-V191 WeakPolarHBondContact O-CG1 3.14Å; G126-E192 PolarHBondContact N-O 3.43Å; G126-E192 PolarHBondContact O-N 2.93Å |
| 127 | G | 92.9 | Very high | 88.1 | Confident | 34 Ų | 34 | 45.4 Ų | 45.4 | 35% | 0.351 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 93.4 | 10.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G163 K189 | G127-G163 PolarHBondContact N-O 2.99Å; G127-K189 VanDerWaalsContact O-CD 3.25Å; G127-K189 WeakPolarHBondContact O-CD 3.42Å; G127-K189 WeakPolarHBondContact O-CE 3.4Å; G127-K189 PolarHBondContact O-NZ 3Å |
| 128 | L | 93.2 | Very high | 89.8 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | trans | -51.3 | 151.5 | 178.8 | -61.5 | 166 | 0 | 0 | 0 | 112.9 | V125 T132 M137 L152 H161 G163 I186 K189 V191 | V125-L128 HydrophobicContact CG1-CD1 4.32Å; V125-L128 HydrophobicContact CG1-CD2 3.75Å; V125-L128 HydrophobicContact CG1-CG 4.15Å; L128-T132 HydrophobicContact CD2-CG2 4.11Å; L128-M137 HydrophobicContact CD1-CE 3.37Å; L128-M137 HydrophobicContact CD2-CE 4.2Å; L128-M137 HydrophobicContact CG-CE 4.44Å; L128-L152 HydrophobicContact CD1-CD1 3.46Å; L128-L152 VanDerWaalsContact CD1-CD1 3.46Å; L128-H161 WeakPolarHBondContact CB-CE1 3.47Å; L128-H161 PolarHBondContact O-CE1 2.99Å; L128-H161 VanDerWaalsContact O-CE1 3.29Å; L128-G163 PolarHBondContact N-O 2.9Å; L128-I186 HydrophobicContact CD2-CD1 4.34Å; L128-K189 PolarHBondContact O-NZ 2.86Å; L128-V191 HydrophobicContact CD2-CG1 3.93Å; L128-V191 HydrophobicContact CD2-CG2 4.04Å; L128-V191 HydrophobicContact CG-CG1 4.46Å | ||
| 129 | S | 92.4 | Very high | 91.2 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 19% | 0.189 | 28% | 0.281 | C | S | . | . | trans | -75.4 | 150.3 | 177.8 | -167.3 | 0 | 0 | 0 | 0 | 111 | S131 T132 H161 | S129-S131 PolarHBondContact O-N 3.21Å; S129-T132 WeakPolarHBondContact CB-OG1 3.46Å; S129-T132 PolarHBondContact N-OG1 2.79Å; S129-T132 WeakPolarHBondContact O-CB 3.28Å; S129-T132 PolarHBondContact O-N 3.31Å; S129-T132 PolarHBondContact O-OG1 2.91Å; S129-H161 PolarHBondContact O-CE1 2.77Å; S129-H161 PolarHBondContact O-NE2 3Å | ||
| 130 | A | 89.4 | Confident | 92.1 | Very high | 69 Ų | 69 | 44.3 Ų | 44.3 | 57% | 0.57 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -12.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | H161 | A130-H161 WeakPolarHBondContact CA-NE2 3.35Å; A130-H161 PolarHBondContact O-NE2 3.34Å |
| 131 | S | 89.2 | Confident | 92.5 | Very high | 81 Ų | 81 | 43 Ų | 43 | 57% | 0.566 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -9 | 173 | 52.3 | 0 | 0 | 0 | 0 | 114.7 | S129 T133 H161 | S129-S131 PolarHBondContact O-N 3.21Å; S131-T133 PolarHBondContact O-N 2.63Å; S131-H161 PolarHBondContact N-NE2 3.09Å |
| 132 | T | 90.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | trans | -69.5 | 123.4 | -173.4 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | L128 S129 D136 L152 H161 I186 N187 | L128-T132 HydrophobicContact CD2-CG2 4.11Å; S129-T132 WeakPolarHBondContact CB-OG1 3.46Å; S129-T132 PolarHBondContact N-OG1 2.79Å; S129-T132 WeakPolarHBondContact O-CB 3.28Å; S129-T132 PolarHBondContact O-N 3.31Å; S129-T132 PolarHBondContact O-OG1 2.91Å; T132-D136 WeakPolarHBondContact CA-OD2 3.38Å; T132-D136 HydrophobicContact CG2-CB 3.96Å; T132-L152 WeakPolarHBondContact O-CD2 3.48Å; T132-H161 PolarHBondContact N-NE2 2.9Å; T132-H161 PolarHBondContact O-NE2 3.16Å; T132-I186 HydrophobicContact CG2-CG2 3.98Å; T132-N187 WeakPolarHBondContact CA-ND2 3.39Å; T132-N187 PolarHBondContact OG1-ND2 3.17Å | ||
| 133 | T | 92.1 | Very high | 92.6 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 35% | 0.35 | 27% | 0.273 | S | S | . | . | trans | -86.1 | 172.6 | 178 | 75.5 | 0 | 0 | 0 | 0 | 111.9 | S131 D135 D136 M137 | S131-T133 PolarHBondContact O-N 2.63Å; T133-D135 VanDerWaalsContact C-N 3.28Å; T133-D135 PolarHBondContact OG1-N 2.86Å; T133-D136 PolarHBondContact N-OD2 2.84Å; T133-D136 PolarHBondContact OG1-N 3.31Å; T133-D136 PolarHBondContact OG1-OD1 2.78Å; T133-D136 PolarHBondContact OG1-OD2 3.06Å; T133-M137 PolarHBondContact O-N 2.91Å | ||
| 134 | L | 92 | Very high | 92.5 | Very high | 55 Ų | 55 | 48.2 Ų | 48.2 | 29% | 0.288 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.1 | -29.7 | 170.6 | 178.6 | 151.1 | 0 | 0 | 0 | 111.5 | M137 K138 S150 | L134-M137 WeakPolarHBondContact O-CB 3.45Å; L134-M137 PolarHBondContact O-N 3.05Å; L134-K138 HydrophobicContact CD2-CD 3.9Å; L134-K138 HydrophobicContact CD2-CG 4.34Å; L134-K138 PolarHBondContact O-N 2.97Å; L134-S150 WeakPolarHBondContact CD1-O 3.33Å |
| 135 | D | 93.4 | Very high | 92.4 | Very high | 102 Ų | 102 | 47 Ų | 47 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -80 | -34 | -178 | -56.5 | -72.4 | 0 | 0 | 0 | 112.1 | T133 M137 K138 S139 | T133-D135 VanDerWaalsContact C-N 3.28Å; T133-D135 PolarHBondContact OG1-N 2.86Å; D135-M137 VanDerWaalsContact C-N 3.29Å; D135-M137 PolarHBondContact O-N 2.73Å; D135-K138 PolarHBondContact O-N 3.41Å; D135-S139 VanDerWaalsContact O-CB 3.26Å; D135-S139 WeakPolarHBondContact O-CB 3.48Å; D135-S139 PolarHBondContact O-N 2.84Å |
| 136 | D | 92.6 | Very high | 92.4 | Very high | 47 Ų | 47 | 50.7 Ų | 50.7 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.1 | -45 | 168.4 | -51.5 | -16.5 | 0 | 0 | 0 | 110.3 | T132 T133 S139 Y140 I186 N187 | T132-D136 WeakPolarHBondContact CA-OD2 3.38Å; T132-D136 HydrophobicContact CG2-CB 3.96Å; T133-D136 PolarHBondContact N-OD2 2.84Å; T133-D136 PolarHBondContact OG1-N 3.31Å; T133-D136 PolarHBondContact OG1-OD1 2.78Å; T133-D136 PolarHBondContact OG1-OD2 3.06Å; D136-S139 PolarHBondContact O-N 2.67Å; D136-Y140 WeakPolarHBondContact O-CB 3.27Å; D136-Y140 PolarHBondContact O-N 3.27Å; D136-I186 HydrophobicContact CB-CG2 4.48Å; D136-N187 PolarHBondContact OD2-ND2 2.86Å |
| 137 | M | 91.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 177.3 | 178.7 | -174.8 | -65.1 | 0 | 0 | 111.1 | L128 T133 L134 D135 F141 L152 V167 | L128-M137 HydrophobicContact CD1-CE 3.37Å; L128-M137 HydrophobicContact CD2-CE 4.2Å; L128-M137 HydrophobicContact CG-CE 4.44Å; T133-M137 PolarHBondContact O-N 2.91Å; L134-M137 WeakPolarHBondContact O-CB 3.45Å; L134-M137 PolarHBondContact O-N 3.05Å; D135-M137 VanDerWaalsContact C-N 3.29Å; D135-M137 PolarHBondContact O-N 2.73Å; M137-F141 HydrophobicContact CG-CD2 3.73Å; M137-F141 HydrophobicContact CG-CE2 4.01Å; M137-F141 WeakPolarHBondContact O-CB 3.39Å; M137-F141 VanDerWaalsContact O-CD2 3.24Å; M137-F141 WeakPolarHBondContact O-CD2 3.12Å; M137-F141 PolarHBondContact O-N 3.16Å; M137-L152 HydrophobicContact CE-CD1 3.73Å; M137-V167 HydrophobicContact CG-CG2 3.66Å; M137-V167 HydrophobicContact SD-CG2 3.51Å; M137-V167 VanDerWaalsContact SD-CG2 3.51Å |
| 138 | K | 93.5 | Very high | 92.5 | Very high | 89 Ų | 89 | 56.9 Ų | 56.9 | 39% | 0.387 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 175.1 | -79.4 | -179.4 | 176 | 171.7 | 0 | 112 | L134 D135 Y140 F141 S142 I147 S150 | L134-K138 HydrophobicContact CD2-CD 3.9Å; L134-K138 HydrophobicContact CD2-CG 4.34Å; L134-K138 PolarHBondContact O-N 2.97Å; D135-K138 PolarHBondContact O-N 3.41Å; K138-Y140 PolarHBondContact O-N 3.32Å; K138-F141 PolarHBondContact O-N 3.44Å; K138-S142 WeakPolarHBondContact O-CB 3.49Å; K138-S142 PolarHBondContact O-N 3.12Å; K138-I147 HydrophobicContact CB-CD1 4.39Å; K138-I147 HydrophobicContact CG-CD1 4.43Å; K138-I147 WeakPolarHBondContact O-CD1 3.31Å; K138-S150 WeakPolarHBondContact CE-OG 3.3Å; K138-S150 WeakPolarHBondContact CG-OG 3.49Å |
| 139 | S | 93.6 | Very high | 92.5 | Very high | 93 Ų | 93 | 59.5 Ų | 59.5 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57.2 | -48.8 | -178.3 | -171.8 | 0 | 0 | 0 | 0 | 111 | D135 D136 | D135-S139 VanDerWaalsContact O-CB 3.26Å; D135-S139 WeakPolarHBondContact O-CB 3.48Å; D135-S139 PolarHBondContact O-N 2.84Å; D136-S139 PolarHBondContact O-N 2.67Å |
| 140 | Y | 93.5 | Very high | 92.6 | Very high | 49 Ų | 49 | 58.7 Ų | 58.7 | 19% | 0.192 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.5 | -49 | 177.9 | -176.7 | -94.3 | 0 | 0 | 0 | 112.9 | D136 K138 S142 Q143 F144 H184 E185 I186 | D136-Y140 WeakPolarHBondContact O-CB 3.27Å; D136-Y140 PolarHBondContact O-N 3.27Å; K138-Y140 PolarHBondContact O-N 3.32Å; Y140-S142 PolarHBondContact O-N 2.65Å; Y140-Q143 WeakPolarHBondContact O-CG 3.39Å; Y140-Q143 PolarHBondContact O-N 2.73Å; Y140-Q143 PolarHBondContact O-NE2 2.68Å; Y140-F144 HydrophobicContact CD1-CE2 4.22Å; Y140-F144 AromaticContact CE1-CE2 3.65Å; Y140-F144 HydrophobicContact CE1-CE2 3.65Å; Y140-F144 HydrophobicContact CE1-CZ 4.2Å; Y140-H184 HydrophobicContact CE1-CB 3.67Å; Y140-H184 AromaticContact CE1-CG 3.8Å; Y140-H184 AromaticContact CE1-ND1 3.42Å; Y140-H184 WeakPolarHBondContact CE1-ND1 3.43Å; Y140-H184 AromaticContact CZ-ND1 3.62Å; Y140-H184 WeakPolarHBondContact OH-CB 3.38Å; Y140-H184 PolarHBondContact OH-ND1 2.44Å; Y140-E185 VanDerWaalsContact CE2-O 3.31Å; Y140-E185 WeakPolarHBondContact CE2-O 3.47Å; Y140-I186 HydrophobicContact CD1-CD1 3.6Å; Y140-I186 HydrophobicContact CD1-CG1 3.82Å; Y140-I186 HydrophobicContact CD2-CG1 4.12Å; Y140-I186 HydrophobicContact CE1-CD1 4.15Å; Y140-I186 HydrophobicContact CE1-CG1 4.15Å; Y140-I186 HydrophobicContact CE2-CG1 4.43Å; Y140-I186 HydrophobicContact CG-CD1 3.93Å; Y140-I186 HydrophobicContact CG-CG1 3.82Å |
| 141 | F | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -74.9 | -24.3 | -175.7 | -75 | -66.3 | 0 | 0 | 0 | 113.6 | I123 V125 M137 K138 Q143 F144 I147 V167 F169 V178 I186 C193 | I123-F141 HydrophobicContact CD1-CD1 4Å; I123-F141 HydrophobicContact CD1-CE1 3.83Å; I123-F141 HydrophobicContact CD1-CG 4.49Å; I123-F141 HydrophobicContact CD1-CZ 4.18Å; V125-F141 HydrophobicContact CG1-CE2 3.85Å; V125-F141 HydrophobicContact CG1-CZ 3.96Å; V125-F141 HydrophobicContact CG2-CE2 3.82Å; V125-F141 HydrophobicContact CG2-CZ 3.88Å; M137-F141 HydrophobicContact CG-CD2 3.73Å; M137-F141 HydrophobicContact CG-CE2 4.01Å; M137-F141 WeakPolarHBondContact O-CB 3.39Å; M137-F141 VanDerWaalsContact O-CD2 3.24Å; M137-F141 WeakPolarHBondContact O-CD2 3.12Å; M137-F141 PolarHBondContact O-N 3.16Å; K138-F141 PolarHBondContact O-N 3.44Å; F141-Q143 PolarHBondContact O-N 3.43Å; F141-Q143 VanDerWaalsContact O-N 3.11Å; F141-F144 HydrophobicContact CD1-CD2 4.05Å; F141-F144 HydrophobicContact CD1-CE2 4.14Å; F141-F144 PolarHBondContact O-N 2.66Å; F141-I147 HydrophobicContact CB-CD1 3.81Å; F141-V167 HydrophobicContact CB-CG1 4.34Å; F141-V167 HydrophobicContact CD2-CG2 3.81Å; F141-V167 HydrophobicContact CE2-CG2 4.34Å; F141-V167 HydrophobicContact CG-CG2 4.34Å; F141-F169 HydrophobicContact CB-CE1 4.11Å; F141-F169 HydrophobicContact CB-CZ 3.88Å; F141-F169 HydrophobicContact CD1-CZ 4.01Å; F141-F169 HydrophobicContact CG-CZ 4.24Å; F141-F169 WeakPolarHBondContact O-CE1 3.5Å; F141-V178 HydrophobicContact CD1-CG1 4.2Å; F141-V178 HydrophobicContact CE1-CG1 3.78Å; F141-I186 HydrophobicContact CE2-CD1 3.81Å; F141-I186 HydrophobicContact CZ-CD1 4.09Å; F141-C193 VanDerWaalsContact CZ-SG 3.56Å |
| 142 | S | 93.1 | Very high | 92.8 | Very high | 71 Ų | 71 | 56.1 Ų | 56.1 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.5 | 177.5 | -171.1 | 0 | 0 | 0 | 0 | 113.6 | K138 Y140 F144 | K138-S142 WeakPolarHBondContact O-CB 3.49Å; K138-S142 PolarHBondContact O-N 3.12Å; Y140-S142 PolarHBondContact O-N 2.65Å; S142-F144 VanDerWaalsContact C-N 3.28Å; S142-F144 PolarHBondContact O-N 2.88Å |
| 143 | Q | 92.8 | Very high | 92.9 | Very high | 124 Ų | 124 | 58.2 Ų | 58.2 | 58% | 0.579 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -20.4 | 173.9 | 83.8 | -161.3 | -12.2 | 0 | 0 | 113.2 | Y140 F141 | Y140-Q143 WeakPolarHBondContact O-CG 3.39Å; Y140-Q143 PolarHBondContact O-N 2.73Å; Y140-Q143 PolarHBondContact O-NE2 2.68Å; F141-Q143 PolarHBondContact O-N 3.43Å; F141-Q143 VanDerWaalsContact O-N 3.11Å |
| 144 | F | 91.7 | Very high | 92.9 | Very high | 56 Ų | 56 | 60.9 Ų | 60.9 | 25% | 0.246 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -24.9 | 178 | -56.6 | -80.5 | 0 | 0 | 0 | 112.7 | Y140 F141 S142 V174 V178 I181 H184 | Y140-F144 HydrophobicContact CD1-CE2 4.22Å; Y140-F144 AromaticContact CE1-CE2 3.65Å; Y140-F144 HydrophobicContact CE1-CE2 3.65Å; Y140-F144 HydrophobicContact CE1-CZ 4.2Å; F141-F144 HydrophobicContact CD1-CD2 4.05Å; F141-F144 HydrophobicContact CD1-CE2 4.14Å; F141-F144 PolarHBondContact O-N 2.66Å; S142-F144 VanDerWaalsContact C-N 3.28Å; S142-F144 PolarHBondContact O-N 2.88Å; F144-V174 HydrophobicContact CB-CG1 3.71Å; F144-V174 WeakPolarHBondContact O-CG1 3.48Å; F144-V178 HydrophobicContact CB-CG2 3.77Å; F144-V178 HydrophobicContact CD1-CG2 3.93Å; F144-V178 HydrophobicContact CD2-CG2 3.77Å; F144-V178 HydrophobicContact CE1-CG2 4.45Å; F144-V178 HydrophobicContact CE2-CG2 4.31Å; F144-V178 HydrophobicContact CG-CG2 3.56Å; F144-I181 HydrophobicContact CE1-CD1 3.65Å; F144-I181 HydrophobicContact CZ-CD1 4.15Å; F144-H184 AromaticContact CZ-CE1 3.8Å; F144-H184 AromaticContact CZ-ND1 3.81Å |
| 145 | G | 91.7 | Very high | 92.8 | Very high | 21 Ų | 21 | 60.6 Ų | 60.6 | 22% | 0.216 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 163.6 | 173.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I147 | G145-I147 PolarHBondContact O-N 2.69Š|
| 146 | S | 94.3 | Very high | 92.6 | Very high | 77 Ų | 77 | 65.4 Ų | 65.4 | 54% | 0.538 | 34% | 0.338 | S | S | . | . | trans | -58.8 | 128.2 | -178.3 | -50.7 | 0 | 0 | 0 | 0 | 112.8 | F169 D170 | S146-F169 CarbonylContact O-C 3.57Å; S146-F169 VanDerWaalsContact O-CA 3.3Å; S146-F169 WeakPolarHBondContact O-CA 3.43Å; S146-D170 PolarHBondContact O-N 3.49Å | ||
| 147 | I | 94.5 | Very high | 92.5 | Very high | 44 Ų | 44 | 68 Ų | 68 | 23% | 0.226 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 126.8 | 176.3 | -62.7 | 172.9 | 0 | 0 | 0 | 109.7 | K138 F141 G145 D149 V167 T168 F169 | K138-I147 HydrophobicContact CB-CD1 4.39Å; K138-I147 HydrophobicContact CG-CD1 4.43Å; K138-I147 WeakPolarHBondContact O-CD1 3.31Å; F141-I147 HydrophobicContact CB-CD1 3.81Å; G145-I147 PolarHBondContact O-N 2.69Å; I147-D149 WeakPolarHBondContact CG2-O 3.14Å; I147-V167 HydrophobicContact CB-CG1 4.46Å; I147-V167 HydrophobicContact CD1-CG1 3.98Å; I147-V167 HydrophobicContact CG1-CG1 3.88Å; I147-V167 HydrophobicContact CG2-CG1 3.85Å; I147-T168 CarbonylContact C-O 3.44Å; I147-T168 WeakPolarHBondContact CA-O 3.39Å; I147-F169 HydrophobicContact CG1-CD1 4.1Å; I147-F169 HydrophobicContact CG1-CE1 4.01Å |
| 148 | E | 94.2 | Very high | 92.4 | Very high | 128 Ų | 128 | 72.2 Ų | 72.2 | 60% | 0.598 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -44.5 | 173.4 | -177.9 | -175.8 | 176 | 0 | 0 | 111.6 | T168 | E148-T168 HydrophobicContact CB-CG2 4.43Å; E148-T168 PolarHBondContact N-O 3.36Å |
| 149 | D | 93.3 | Very high | 92.1 | Very high | 57 Ų | 57 | 74.1 Ų | 74.1 | 31% | 0.305 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 148 | -179 | 161 | 54.8 | 0 | 0 | 0 | 110.4 | K122 I147 V167 T168 | K122-D149 IonicContact NZ-OD2 2.78Å; K122-D149 PolarHBondContact NZ-OD2 2.61Å; I147-D149 WeakPolarHBondContact CG2-O 3.14Å; D149-V167 CarbonylContact O-C 3.54Å; D149-T168 PolarHBondContact N-O 3.12Å; D149-T168 PolarHBondContact O-N 3.4Å; D149-T168 PolarHBondContact O-OG1 2.86Å; D149-T168 PolarHBondContact OD2-OG1 2.78Å |
| 150 | S | 93.2 | Very high | 91.8 | Very high | 10 Ų | 10 | 77.7 Ų | 77.7 | 7% | 0.07 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 127.2 | 174.3 | 63.9 | 0 | 0 | 0 | 0 | 110.2 | L134 K138 F166 | L134-S150 WeakPolarHBondContact CD1-O 3.33Å; K138-S150 WeakPolarHBondContact CE-OG 3.3Å; K138-S150 WeakPolarHBondContact CG-OG 3.49Å; S150-F166 CarbonylContact C-O 3.58Å; S150-F166 WeakPolarHBondContact CA-O 3.11Å |
| 151 | M | 91.7 | Very high | 91.7 | Very high | 85 Ų | 85 | 76.4 Ų | 76.4 | 42% | 0.419 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 108.5 | -171.5 | -173.7 | 176.3 | -65.3 | 0 | 0 | 111.4 | M153 G165 F166 | M151-M153 HydrophobicContact CG-SD 4.26Å; M151-M153 HydrophobicContact SD-SD 4.21Å; M151-G165 CarbonylContact O-C 3.58Å; M151-G165 WeakPolarHBondContact O-CA 3.4Å; M151-F166 PolarHBondContact N-O 2.74Å; M151-F166 PolarHBondContact O-N 3.42Å |
| 152 | L | 92.7 | Very high | 91.6 | Very high | 12 Ų | 12 | 83.4 Ų | 83.4 | 6% | 0.063 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 132.9 | 170.5 | -166.7 | 68.5 | 0 | 0 | 0 | 109.5 | L128 T132 M137 F154 H161 | L128-L152 HydrophobicContact CD1-CD1 3.46Å; L128-L152 VanDerWaalsContact CD1-CD1 3.46Å; T132-L152 WeakPolarHBondContact O-CD2 3.48Å; M137-L152 HydrophobicContact CE-CD1 3.73Å; L152-F154 HydrophobicContact CB-CE2 3.98Å; L152-F154 HydrophobicContact CB-CZ 4.37Å; L152-F154 HydrophobicContact CD2-CE1 4.36Å; L152-F154 HydrophobicContact CD2-CE2 4.24Å; L152-F154 HydrophobicContact CD2-CZ 3.78Å; L152-F154 HydrophobicContact CG-CE2 4.28Å; L152-F154 HydrophobicContact CG-CZ 4.3Å; L152-F154 VanDerWaalsContact O-CD2 3.27Å; L152-F154 WeakPolarHBondContact O-CD2 2.9Å; L152-F154 WeakPolarHBondContact O-CE2 3.41Å; L152-H161 HydrophobicContact CD1-CB 4.3Å; L152-H161 HydrophobicContact CD2-CB 3.65Å; L152-H161 HydrophobicContact CG-CB 3.72Å |
| 153 | M | 91.6 | Very high | 91.5 | Very high | 46 Ų | 46 | 81 Ų | 81 | 23% | 0.227 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 115.4 | -173.2 | -69.6 | -62.7 | -51.8 | 0 | 0 | 111.6 | M151 H161 R162 F164 F166 | M151-M153 HydrophobicContact CG-SD 4.26Å; M151-M153 HydrophobicContact SD-SD 4.21Å; M153-H161 WeakPolarHBondContact O-CA 3.28Å; M153-R162 WeakPolarHBondContact O-CB 3.42Å; M153-R162 WeakPolarHBondContact O-CG 3.39Å; M153-R162 PolarHBondContact O-N 3.16Å; M153-F164 HydrophobicContact CB-CD2 4Å; M153-F164 HydrophobicContact CB-CE2 3.72Å; M153-F164 HydrophobicContact CB-CZ 4Å; M153-F164 WeakPolarHBondContact CB-O 3.41Å; M153-F164 HydrophobicContact CG-CD2 3.9Å; M153-F164 HydrophobicContact CG-CE2 3.56Å; M153-F164 HydrophobicContact CG-CZ 4.26Å; M153-F164 PolarHBondContact N-O 2.74Å; M153-F166 HydrophobicContact CG-CD2 4.11Å; M153-F166 HydrophobicContact CG-CE2 3.93Å; M153-F166 HydrophobicContact SD-CD2 4.37Å; M153-F166 HydrophobicContact SD-CE2 4.2Å |
| 154 | F | 91.3 | Very high | 91.5 | Very high | 112 Ų | 112 | 77 Ų | 77 | 49% | 0.491 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 150.1 | -178.6 | -64.8 | -92.7 | 0 | 0 | 0 | 113.9 | L152 N159 H161 | L152-F154 HydrophobicContact CB-CE2 3.98Å; L152-F154 HydrophobicContact CB-CZ 4.37Å; L152-F154 HydrophobicContact CD2-CE1 4.36Å; L152-F154 HydrophobicContact CD2-CE2 4.24Å; L152-F154 HydrophobicContact CD2-CZ 3.78Å; L152-F154 HydrophobicContact CG-CE2 4.28Å; L152-F154 HydrophobicContact CG-CZ 4.3Å; L152-F154 VanDerWaalsContact O-CD2 3.27Å; L152-F154 WeakPolarHBondContact O-CD2 2.9Å; L152-F154 WeakPolarHBondContact O-CE2 3.41Å; F154-N159 WeakPolarHBondContact CD1-O 3.3Å; F154-H161 HydrophobicContact CD1-CB 3.91Å; F154-H161 HydrophobicContact CE1-CB 3.9Å; F154-H161 HydrophobicContact CG-CB 4.47Å; F154-H161 HydrophobicContact CZ-CB 4.44Å |
| 155 | D | 90.3 | Very high | 91.7 | Very high | 50 Ų | 50 | 74.3 Ų | 74.3 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | trans | -81.9 | 133.3 | 161.9 | 167.1 | 41.9 | 0 | 0 | 0 | 109.7 | S157 T158 N159 R160 R162 | D155-S157 VanDerWaalsContact C-N 3.3Å; D155-S157 PolarHBondContact O-N 2.9Å; D155-S157 PolarHBondContact OD1-N 3.26Å; D155-S157 VanDerWaalsContact OD1-N 3.12Å; D155-S157 PolarHBondContact OD1-OG 2.66Å; D155-S157 PolarHBondContact OD2-N 2.61Å; D155-S157 PolarHBondContact OD2-OG 2.81Å; D155-T158 WeakPolarHBondContact OD2-CB 3.47Å; D155-T158 WeakPolarHBondContact OD2-CG2 3.37Å; D155-T158 PolarHBondContact OD2-N 3.1Å; D155-T158 PolarHBondContact OD2-OG1 2.8Å; D155-N159 VanDerWaalsContact O-CA 3.3Å; D155-N159 WeakPolarHBondContact O-CA 3.36Å; D155-N159 PolarHBondContact O-N 3.04Å; D155-N159 VanDerWaalsContact O-N 3.09Å; D155-R160 PolarHBondContact N-O 2.89Å; D155-R162 HydrophobicContact CB-CG 4.11Å | ||
| 156 | K | 89.9 | Confident | 91.8 | Very high | 202 Ų | 202 | 74.3 Ų | 74.3 | 88% | 0.878 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -19.2 | -178.7 | -65 | -172.5 | 175.6 | -171 | 0 | 113.5 | ||
| 157 | S | 89 | Confident | 91.8 | Very high | 101 Ų | 101 | 70.6 Ų | 70.6 | 71% | 0.706 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -40.9 | -176.7 | 77 | 0 | 0 | 0 | 0 | 113.2 | D155 | D155-S157 VanDerWaalsContact C-N 3.3Å; D155-S157 PolarHBondContact O-N 2.9Å; D155-S157 PolarHBondContact OD1-N 3.26Å; D155-S157 VanDerWaalsContact OD1-N 3.12Å; D155-S157 PolarHBondContact OD1-OG 2.66Å; D155-S157 PolarHBondContact OD2-N 2.61Å; D155-S157 PolarHBondContact OD2-OG 2.81Å |
| 158 | T | 89.9 | Confident | 91.8 | Very high | 90 Ų | 90 | 69.1 Ų | 69.1 | 55% | 0.552 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -10.7 | -177.1 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | D155 R160 | D155-T158 WeakPolarHBondContact OD2-CB 3.47Å; D155-T158 WeakPolarHBondContact OD2-CG2 3.37Å; D155-T158 PolarHBondContact OD2-N 3.1Å; D155-T158 PolarHBondContact OD2-OG1 2.8Å; T158-R160 PolarHBondContact O-N 2.87Å; T158-R160 PolarHBondContact OG1-N 2.9Å |
| 159 | N | 87.2 | Confident | 91.8 | Very high | 129 Ų | 129 | 63 Ų | 63 | 69% | 0.69 | 31% | 0.31 | S | S | * | . | trans | 53.3 | 12.2 | -166.4 | -68.6 | -51 | 0 | 0 | 0 | 114.7 | F154 D155 | F154-N159 WeakPolarHBondContact CD1-O 3.3Å; D155-N159 VanDerWaalsContact O-CA 3.3Å; D155-N159 WeakPolarHBondContact O-CA 3.36Å; D155-N159 PolarHBondContact O-N 3.04Å; D155-N159 VanDerWaalsContact O-N 3.09Å | ||
| 160 | R | 88.2 | Confident | 91.9 | Very high | 168 Ų | 168 | 64.2 Ų | 64.2 | 63% | 0.634 | 32% | 0.316 | S | S | * | . | trans | -81.9 | 145 | 171.7 | -169.7 | 174.5 | -70 | -173.4 | -1.8 | 109.2 | D155 T158 | D155-R160 PolarHBondContact N-O 2.89Å; T158-R160 PolarHBondContact O-N 2.87Å; T158-R160 PolarHBondContact OG1-N 2.9Å | ||
| 161 | H | 91.4 | Very high | 91.8 | Very high | 21 Ų | 21 | 67.8 Ų | 67.8 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 149.1 | 171.9 | 77.8 | 87 | 0 | 0 | 0 | 111.6 | L128 S129 A130 S131 T132 L152 M153 F154 G163 | L128-H161 WeakPolarHBondContact CB-CE1 3.47Å; L128-H161 PolarHBondContact O-CE1 2.99Å; L128-H161 VanDerWaalsContact O-CE1 3.29Å; S129-H161 PolarHBondContact O-CE1 2.77Å; S129-H161 PolarHBondContact O-NE2 3Å; A130-H161 WeakPolarHBondContact CA-NE2 3.35Å; A130-H161 PolarHBondContact O-NE2 3.34Å; S131-H161 PolarHBondContact N-NE2 3.09Å; T132-H161 PolarHBondContact N-NE2 2.9Å; T132-H161 PolarHBondContact O-NE2 3.16Å; L152-H161 HydrophobicContact CD1-CB 4.3Å; L152-H161 HydrophobicContact CD2-CB 3.65Å; L152-H161 HydrophobicContact CG-CB 3.72Å; M153-H161 WeakPolarHBondContact O-CA 3.28Å; F154-H161 HydrophobicContact CD1-CB 3.91Å; F154-H161 HydrophobicContact CE1-CB 3.9Å; F154-H161 HydrophobicContact CG-CB 4.47Å; F154-H161 HydrophobicContact CZ-CB 4.44Å; H161-G163 PolarHBondContact ND1-N 2.87Å; H161-G163 VanDerWaalsContact ND1-N 3.16Å; H161-G163 PolarHBondContact O-N 2.79Å; H161-G163 VanDerWaalsContact O-N 3.16Å |
| 162 | R | 91 | Very high | 91.7 | Very high | 148 Ų | 148 | 65.6 Ų | 65.6 | 56% | 0.558 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 14.8 | -169.3 | -63 | 174.7 | 61.9 | -168 | -4 | 113.2 | M153 D155 F164 | M153-R162 WeakPolarHBondContact O-CB 3.42Å; M153-R162 WeakPolarHBondContact O-CG 3.39Å; M153-R162 PolarHBondContact O-N 3.16Å; D155-R162 HydrophobicContact CB-CG 4.11Å; R162-F164 HydrophobicContact CB-CD1 3.75Å; R162-F164 HydrophobicContact CB-CE1 3.56Å; R162-F164 HydrophobicContact CB-CZ 4.48Å; R162-F164 HydrophobicContact CG-CE1 4.48Å; R162-F164 WeakPolarHBondContact O-CD1 3.37Å; R162-F164 PolarHBondContact O-N 3.39Å |
| 163 | G | 91.8 | Very high | 91.5 | Very high | 20 Ų | 20 | 69.7 Ų | 69.7 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.6 | 13 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G127 L128 H161 | G127-G163 PolarHBondContact N-O 2.99Å; L128-G163 PolarHBondContact N-O 2.9Å; H161-G163 PolarHBondContact ND1-N 2.87Å; H161-G163 VanDerWaalsContact ND1-N 3.16Å; H161-G163 PolarHBondContact O-N 2.79Å; H161-G163 VanDerWaalsContact O-N 3.16Å |
| 164 | F | 93.4 | Very high | 91.6 | Very high | 39 Ų | 39 | 68.1 Ų | 68.1 | 17% | 0.171 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 161.3 | 175.6 | 73.8 | -90.5 | 0 | 0 | 0 | 113 | F124 V125 M153 R162 F166 | F124-F164 HydrophobicContact CD2-CD2 4.2Å; F124-F164 HydrophobicContact CE2-CB 3.89Å; F124-F164 AromaticContact CE2-CD2 3.48Å; F124-F164 HydrophobicContact CE2-CD2 3.48Å; F124-F164 VanDerWaalsContact CE2-CD2 3.48Å; F124-F164 HydrophobicContact CE2-CE2 4.15Å; F124-F164 AromaticContact CE2-CG 3.84Å; F124-F164 HydrophobicContact CE2-CG 3.84Å; F124-F164 HydrophobicContact CZ-CB 3.88Å; F124-F164 HydrophobicContact CZ-CD2 4.29Å; F124-F164 HydrophobicContact CZ-CG 4.19Å; V125-F164 CarbonylContact O-C 3.58Å; V125-F164 WeakPolarHBondContact O-CA 3.28Å; V125-F164 VanDerWaalsContact O-CB 3.31Å; V125-F164 WeakPolarHBondContact O-CB 3.27Å; M153-F164 HydrophobicContact CB-CD2 4Å; M153-F164 HydrophobicContact CB-CE2 3.72Å; M153-F164 HydrophobicContact CB-CZ 4Å; M153-F164 WeakPolarHBondContact CB-O 3.41Å; M153-F164 HydrophobicContact CG-CD2 3.9Å; M153-F164 HydrophobicContact CG-CE2 3.56Å; M153-F164 HydrophobicContact CG-CZ 4.26Å; M153-F164 PolarHBondContact N-O 2.74Å; R162-F164 HydrophobicContact CB-CD1 3.75Å; R162-F164 HydrophobicContact CB-CE1 3.56Å; R162-F164 HydrophobicContact CB-CZ 4.48Å; R162-F164 HydrophobicContact CG-CE1 4.48Å; R162-F164 WeakPolarHBondContact O-CD1 3.37Å; R162-F164 PolarHBondContact O-N 3.39Å; F164-F166 HydrophobicContact CD2-CE2 4.47Å; F164-F166 HydrophobicContact CE2-CE2 4.23Å |
| 165 | G | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | -168.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V125 M151 | V125-G165 PolarHBondContact N-O 3.28Å; V125-G165 PolarHBondContact O-N 2.8Å; M151-G165 CarbonylContact O-C 3.58Å; M151-G165 WeakPolarHBondContact O-CA 3.4Å |
| 166 | F | 94.8 | Very high | 91.5 | Very high | 21 Ų | 21 | 64.6 Ų | 64.6 | 9% | 0.092 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 145.8 | 174.6 | -58.6 | -92.5 | 0 | 0 | 0 | 110.4 | K122 I123 F124 S150 M151 M153 F164 A196 | K122-F166 HydrophobicContact CD-CB 4.23Å; K122-F166 HydrophobicContact CG-CB 4.26Å; I123-F166 WeakPolarHBondContact O-CA 3.41Å; I123-F166 WeakPolarHBondContact O-CB 3.46Å; F124-F166 HydrophobicContact CB-CD1 4.15Å; F124-F166 HydrophobicContact CB-CE1 4.05Å; F124-F166 HydrophobicContact CD2-CD1 4.42Å; F124-F166 AromaticContact CD2-CE1 3.83Å; F124-F166 HydrophobicContact CD2-CE1 3.83Å; F124-F166 HydrophobicContact CD2-CZ 4.06Å; F124-F166 HydrophobicContact CG-CE1 4.45Å; S150-F166 CarbonylContact C-O 3.58Å; S150-F166 WeakPolarHBondContact CA-O 3.11Å; M151-F166 PolarHBondContact N-O 2.74Å; M151-F166 PolarHBondContact O-N 3.42Å; M153-F166 HydrophobicContact CG-CD2 4.11Å; M153-F166 HydrophobicContact CG-CE2 3.93Å; M153-F166 HydrophobicContact SD-CD2 4.37Å; M153-F166 HydrophobicContact SD-CE2 4.2Å; F164-F166 HydrophobicContact CD2-CE2 4.47Å; F164-F166 HydrophobicContact CE2-CE2 4.23Å; F166-A196 HydrophobicContact CD1-CB 3.89Å; F166-A196 HydrophobicContact CE1-CB 4.1Å |
| 167 | V | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 138.6 | 170.8 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | K122 I123 V125 M137 F141 I147 D149 F169 | K122-V167 CarbonylContact C-O 3.5Å; K122-V167 VanDerWaalsContact CA-O 3.28Å; K122-V167 WeakPolarHBondContact CA-O 3.28Å; K122-V167 WeakPolarHBondContact CG-O 3.44Å; I123-V167 HydrophobicContact CD1-CB 3.98Å; I123-V167 HydrophobicContact CD1-CG2 4.47Å; I123-V167 HydrophobicContact CG1-CB 3.77Å; I123-V167 WeakPolarHBondContact CG1-O 3.19Å; I123-V167 PolarHBondContact N-O 3.36Å; I123-V167 PolarHBondContact O-N 2.74Å; I123-V167 VanDerWaalsContact O-N 3.1Å; V125-V167 HydrophobicContact CG2-CG2 4.13Å; M137-V167 HydrophobicContact CG-CG2 3.66Å; M137-V167 HydrophobicContact SD-CG2 3.51Å; M137-V167 VanDerWaalsContact SD-CG2 3.51Å; F141-V167 HydrophobicContact CB-CG1 4.34Å; F141-V167 HydrophobicContact CD2-CG2 3.81Å; F141-V167 HydrophobicContact CE2-CG2 4.34Å; F141-V167 HydrophobicContact CG-CG2 4.34Å; I147-V167 HydrophobicContact CB-CG1 4.46Å; I147-V167 HydrophobicContact CD1-CG1 3.98Å; I147-V167 HydrophobicContact CG1-CG1 3.88Å; I147-V167 HydrophobicContact CG2-CG1 3.85Å; D149-V167 CarbonylContact O-C 3.54Å; V167-F169 HydrophobicContact CG1-CE1 4.39Å; V167-F169 HydrophobicContact CG1-CE2 4.26Å; V167-F169 HydrophobicContact CG1-CZ 4.17Å |
| 168 | T | 94.1 | Very high | 91.7 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 8% | 0.08 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.9 | 175.6 | -33.3 | 0 | 0 | 0 | 0 | 107 | K121 K122 I147 E148 D149 | K121-T168 HydrophobicContact CB-CG2 3.9Å; K121-T168 CarbonylContact O-C 3.58Å; K121-T168 WeakPolarHBondContact O-CA 3.31Å; K122-T168 HydrophobicContact CB-CG2 4.33Å; K122-T168 HydrophobicContact CG-CG2 4.39Å; K122-T168 PolarHBondContact NZ-OG1 3.01Å; I147-T168 CarbonylContact C-O 3.44Å; I147-T168 WeakPolarHBondContact CA-O 3.39Å; E148-T168 HydrophobicContact CB-CG2 4.43Å; E148-T168 PolarHBondContact N-O 3.36Å; D149-T168 PolarHBondContact N-O 3.12Å; D149-T168 PolarHBondContact O-N 3.4Å; D149-T168 PolarHBondContact O-OG1 2.86Å; D149-T168 PolarHBondContact OD2-OG1 2.78Å |
| 169 | F | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 154.8 | 173 | -64.9 | -81.2 | 0 | 0 | 0 | 110.2 | K121 I123 F141 S146 I147 V167 N171 V174 V175 V178 | K121-F169 VanDerWaalsContact CB-O 3.28Å; K121-F169 WeakPolarHBondContact CB-O 3.19Å; K121-F169 WeakPolarHBondContact CD-O 3.4Å; K121-F169 WeakPolarHBondContact CG-O 3.4Å; K121-F169 PolarHBondContact O-N 3.44Å; I123-F169 HydrophobicContact CD1-CE2 3.64Å; I123-F169 HydrophobicContact CD1-CZ 4.19Å; I123-F169 HydrophobicContact CG1-CE2 3.92Å; F141-F169 HydrophobicContact CB-CE1 4.11Å; F141-F169 HydrophobicContact CB-CZ 3.88Å; F141-F169 HydrophobicContact CD1-CZ 4.01Å; F141-F169 HydrophobicContact CG-CZ 4.24Å; F141-F169 WeakPolarHBondContact O-CE1 3.5Å; S146-F169 CarbonylContact O-C 3.57Å; S146-F169 VanDerWaalsContact O-CA 3.3Å; S146-F169 WeakPolarHBondContact O-CA 3.43Å; I147-F169 HydrophobicContact CG1-CD1 4.1Å; I147-F169 HydrophobicContact CG1-CE1 4.01Å; V167-F169 HydrophobicContact CG1-CE1 4.39Å; V167-F169 HydrophobicContact CG1-CE2 4.26Å; V167-F169 HydrophobicContact CG1-CZ 4.17Å; F169-N171 VanDerWaalsContact C-N 3.32Å; F169-V174 HydrophobicContact CB-CB 4.27Å; F169-V174 HydrophobicContact CB-CG1 4.39Å; F169-V174 HydrophobicContact CD1-CB 4.32Å; F169-V174 HydrophobicContact CD1-CG1 3.56Å; F169-V174 HydrophobicContact CD2-CB 4.47Å; F169-V174 HydrophobicContact CD2-CG1 4.03Å; F169-V174 HydrophobicContact CE1-CG1 3.64Å; F169-V174 HydrophobicContact CE2-CG1 4.09Å; F169-V174 HydrophobicContact CG-CB 4.12Å; F169-V174 HydrophobicContact CG-CG1 3.73Å; F169-V174 HydrophobicContact CZ-CG1 3.9Å; F169-V175 HydrophobicContact CD2-CG2 3.73Å; F169-V175 HydrophobicContact CE2-CG2 4.49Å; F169-V178 HydrophobicContact CE2-CG2 4.41Å; F169-V178 HydrophobicContact CZ-CG2 4.22Å |
| 170 | D | 93.7 | Very high | 91.7 | Very high | 82 Ų | 82 | 55 Ų | 55 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -66.4 | -36.1 | 171.6 | -170 | 20.5 | 0 | 0 | 0 | 111.9 | K121 S146 | K121-D170 WeakPolarHBondContact CD-O 3.12Å; K121-D170 WeakPolarHBondContact CE-O 2.99Å; K121-D170 PolarHBondContact NZ-O 3.15Å; K121-D170 IonicContact NZ-OD1 3.57Å; K121-D170 PolarHBondContact NZ-OD1 2.85Å; S146-D170 PolarHBondContact O-N 3.49Å |
| 171 | N | 90.7 | Very high | 91.8 | Very high | 84 Ų | 84 | 50.2 Ų | 50.2 | 45% | 0.449 | 25% | 0.245 | S | C | . | . | trans | -104.5 | 134.7 | -178.1 | -70.1 | -46.4 | 0 | 0 | 0 | 112.7 | F169 D173 V174 | F169-N171 VanDerWaalsContact C-N 3.32Å; N171-D173 VanDerWaalsContact C-N 3.34Å; N171-D173 PolarHBondContact O-N 3.3Å; N171-V174 HydrophobicContact CB-CG2 3.93Å; N171-V174 PolarHBondContact O-N 2.93Å | ||
| 172 | E | 90 | Very high | 91.4 | Very high | 40 Ų | 40 | 56.3 Ų | 56.3 | 19% | 0.187 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.3 | -34.1 | 177 | -158.2 | -158.7 | 147.5 | 0 | 0 | 112.1 | K119 V174 V175 E176 | K119-E172 VanDerWaalsContact CA-OE1 3.27Å; K119-E172 WeakPolarHBondContact CA-OE1 3.2Å; K119-E172 VanDerWaalsContact CB-OE1 3.25Å; K119-E172 WeakPolarHBondContact CB-OE1 3.25Å; K119-E172 WeakPolarHBondContact CG-OE1 3.27Å; K119-E172 IonicContact NZ-OE1 2.8Å; K119-E172 PolarHBondContact NZ-OE1 3.3Å; K119-E172 IonicContact NZ-OE2 2.61Å; K119-E172 PolarHBondContact NZ-OE2 3.41Å; E172-V174 PolarHBondContact O-N 3.48Å; E172-V174 VanDerWaalsContact O-N 3.15Å; E172-V175 WeakPolarHBondContact O-CA 3.25Å; E172-V175 VanDerWaalsContact O-CB 3.28Å; E172-V175 WeakPolarHBondContact O-CB 3.09Å; E172-V175 PolarHBondContact O-N 2.83Å; E172-E176 PolarHBondContact O-N 3.43Å |
| 173 | D | 90 | Very high | 91.4 | Very high | 97 Ų | 97 | 55.2 Ų | 55.2 | 52% | 0.519 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.1 | -23.1 | -178.1 | -44.5 | -52.3 | 0 | 0 | 0 | 112.6 | N171 E176 K177 | N171-D173 VanDerWaalsContact C-N 3.34Å; N171-D173 PolarHBondContact O-N 3.3Å; D173-E176 PolarHBondContact O-N 3.4Å; D173-K177 WeakPolarHBondContact O-CG 3.42Å; D173-K177 PolarHBondContact O-N 3.48Å |
| 174 | V | 92 | Very high | 91.4 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.6 | -37.9 | 173.4 | -178.3 | 0 | 0 | 0 | 0 | 110.6 | F144 F169 N171 E172 E176 K177 V178 | F144-V174 HydrophobicContact CB-CG1 3.71Å; F144-V174 WeakPolarHBondContact O-CG1 3.48Å; F169-V174 HydrophobicContact CB-CB 4.27Å; F169-V174 HydrophobicContact CB-CG1 4.39Å; F169-V174 HydrophobicContact CD1-CB 4.32Å; F169-V174 HydrophobicContact CD1-CG1 3.56Å; F169-V174 HydrophobicContact CD2-CB 4.47Å; F169-V174 HydrophobicContact CD2-CG1 4.03Å; F169-V174 HydrophobicContact CE1-CG1 3.64Å; F169-V174 HydrophobicContact CE2-CG1 4.09Å; F169-V174 HydrophobicContact CG-CB 4.12Å; F169-V174 HydrophobicContact CG-CG1 3.73Å; F169-V174 HydrophobicContact CZ-CG1 3.9Å; N171-V174 HydrophobicContact CB-CG2 3.93Å; N171-V174 PolarHBondContact O-N 2.93Å; E172-V174 PolarHBondContact O-N 3.48Å; E172-V174 VanDerWaalsContact O-N 3.15Å; V174-E176 VanDerWaalsContact C-N 3.28Å; V174-E176 PolarHBondContact O-N 3.03Å; V174-K177 PolarHBondContact O-N 2.92Å; V174-V178 HydrophobicContact CG1-CG2 4.3Å; V174-V178 WeakPolarHBondContact O-CB 3.47Å; V174-V178 VanDerWaalsContact O-CG2 3.27Å; V174-V178 WeakPolarHBondContact O-CG2 3.45Å; V174-V178 PolarHBondContact O-N 3.18Å |
| 175 | V | 91.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.3 | -32.2 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | T120 K121 I123 F169 E172 V179 K195 | T120-V175 HydrophobicContact CG2-CG1 4.42Å; T120-V175 WeakPolarHBondContact O-CG2 3.26Å; K121-V175 WeakPolarHBondContact O-CG2 3.49Å; I123-V175 HydrophobicContact CG2-CB 4.31Å; I123-V175 HydrophobicContact CG2-CG1 3.7Å; I123-V175 HydrophobicContact CG2-CG2 4.22Å; F169-V175 HydrophobicContact CD2-CG2 3.73Å; F169-V175 HydrophobicContact CE2-CG2 4.49Å; E172-V175 WeakPolarHBondContact O-CA 3.25Å; E172-V175 VanDerWaalsContact O-CB 3.28Å; E172-V175 WeakPolarHBondContact O-CB 3.09Å; E172-V175 PolarHBondContact O-N 2.83Å; V175-V179 WeakPolarHBondContact O-CB 3.46Å; V175-V179 VanDerWaalsContact O-CG2 3.28Å; V175-V179 WeakPolarHBondContact O-CG2 3.48Å; V175-V179 PolarHBondContact O-N 2.97Å; V175-K195 HydrophobicContact CG1-CD 4.14Å; V175-K195 HydrophobicContact CG1-CG 3.83Å |
| 176 | E | 89.2 | Confident | 91.2 | Very high | 88 Ų | 88 | 58.6 Ų | 58.6 | 41% | 0.411 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.4 | -54 | 175.6 | -53.2 | -121.5 | 104.6 | 0 | 0 | 110.2 | E172 D173 V174 V178 V179 E180 K195 | E172-E176 PolarHBondContact O-N 3.43Å; D173-E176 PolarHBondContact O-N 3.4Å; V174-E176 VanDerWaalsContact C-N 3.28Å; V174-E176 PolarHBondContact O-N 3.03Å; E176-V178 VanDerWaalsContact C-N 3.31Å; E176-V178 PolarHBondContact O-N 3.07Å; E176-V179 PolarHBondContact O-N 3.21Å; E176-V179 VanDerWaalsContact O-N 3.07Å; E176-E180 PolarHBondContact O-N 2.94Å; E176-K195 IonicContact OE1-NZ 3.62Å; E176-K195 PolarHBondContact OE1-NZ 2.99Å |
| 177 | K | 90.7 | Very high | 90.9 | Very high | 127 Ų | 127 | 61.4 Ų | 61.4 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -58.1 | -38.8 | 178.7 | -66.2 | 168.6 | -174.3 | 176.6 | 0 | 113.2 | D173 V174 I181 | D173-K177 WeakPolarHBondContact O-CG 3.42Å; D173-K177 PolarHBondContact O-N 3.48Å; V174-K177 PolarHBondContact O-N 2.92Å; K177-I181 PolarHBondContact O-N 3.22Å |
| 178 | V | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73.4 | -28.1 | 178.2 | 172.6 | 0 | 0 | 0 | 0 | 112.2 | I123 F141 F144 F169 V174 E176 H184 C193 | I123-V178 HydrophobicContact CD1-CG1 3.84Å; F141-V178 HydrophobicContact CD1-CG1 4.2Å; F141-V178 HydrophobicContact CE1-CG1 3.78Å; F144-V178 HydrophobicContact CB-CG2 3.77Å; F144-V178 HydrophobicContact CD1-CG2 3.93Å; F144-V178 HydrophobicContact CD2-CG2 3.77Å; F144-V178 HydrophobicContact CE1-CG2 4.45Å; F144-V178 HydrophobicContact CE2-CG2 4.31Å; F144-V178 HydrophobicContact CG-CG2 3.56Å; F169-V178 HydrophobicContact CE2-CG2 4.41Å; F169-V178 HydrophobicContact CZ-CG2 4.22Å; V174-V178 HydrophobicContact CG1-CG2 4.3Å; V174-V178 WeakPolarHBondContact O-CB 3.47Å; V174-V178 VanDerWaalsContact O-CG2 3.27Å; V174-V178 WeakPolarHBondContact O-CG2 3.45Å; V174-V178 PolarHBondContact O-N 3.18Å; E176-V178 VanDerWaalsContact C-N 3.31Å; E176-V178 PolarHBondContact O-N 3.07Å; V178-H184 PolarHBondContact O-NE2 3.31Å; V178-C193 HydrophobicContact CG1-CB 3.95Å |
| 179 | V | 89.3 | Confident | 90.5 | Very high | 43 Ų | 43 | 68 Ų | 68 | 26% | 0.261 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -89.2 | -17.9 | 177.2 | 173.7 | 0 | 0 | 0 | 0 | 112.7 | I123 V175 E176 I181 K195 | I123-V179 HydrophobicContact CG2-CG2 3.95Å; V175-V179 WeakPolarHBondContact O-CB 3.46Å; V175-V179 VanDerWaalsContact O-CG2 3.28Å; V175-V179 WeakPolarHBondContact O-CG2 3.48Å; V175-V179 PolarHBondContact O-N 2.97Å; E176-V179 PolarHBondContact O-N 3.21Å; E176-V179 VanDerWaalsContact O-N 3.07Å; V179-I181 VanDerWaalsContact C-N 3.33Å; V179-K195 HydrophobicContact CB-CG 4.41Å; V179-K195 HydrophobicContact CG1-CG 4.31Å; V179-K195 HydrophobicContact CG2-CG 3.93Å |
| 180 | E | 88.9 | Confident | 90.3 | Very high | 152 Ų | 152 | 73.3 Ų | 73.3 | 71% | 0.71 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -67 | -34.2 | 167.6 | -174 | 170.1 | -153.3 | 0 | 0 | 111.8 | E176 H182 | E176-E180 PolarHBondContact O-N 2.94Å; E180-H182 PolarHBondContact O-N 2.18Å |
| 181 | I | 89.2 | Confident | 90.3 | Very high | 67 Ų | 67 | 69.5 Ų | 69.5 | 34% | 0.344 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -75.2 | 109.5 | 173 | -62.8 | 166.9 | 0 | 0 | 0 | 109.6 | F144 K177 V179 F183 | F144-I181 HydrophobicContact CE1-CD1 3.65Å; F144-I181 HydrophobicContact CZ-CD1 4.15Å; K177-I181 PolarHBondContact O-N 3.22Å; V179-I181 VanDerWaalsContact C-N 3.33Å; I181-F183 VanDerWaalsContact C-N 3.34Å; I181-F183 VanDerWaalsContact CG2-O 3.31Å; I181-F183 WeakPolarHBondContact CG2-O 3.24Å; I181-F183 PolarHBondContact O-N 2.9Å |
| 182 | H | 83.4 | Confident | 90.5 | Very high | 149 Ų | 149 | 69.2 Ų | 69.2 | 69% | 0.69 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -63.3 | -33.5 | -176.8 | -72.5 | -32.2 | 0 | 0 | 0 | 114.9 | E180 | E180-H182 PolarHBondContact O-N 2.18Š|
| 183 | F | 89.9 | Confident | 90.6 | Very high | 125 Ų | 125 | 67.7 Ų | 67.7 | 55% | 0.548 | 34% | 0.342 | S | S | . | . | trans | -141.5 | 135.4 | -178.2 | -62.7 | -74 | 0 | 0 | 0 | 111.7 | I181 M190 V191 | I181-F183 VanDerWaalsContact C-N 3.34Å; I181-F183 VanDerWaalsContact CG2-O 3.31Å; I181-F183 WeakPolarHBondContact CG2-O 3.24Å; I181-F183 PolarHBondContact O-N 2.9Å; F183-M190 HydrophobicContact CB-CE 3.63Å; F183-M190 HydrophobicContact CB-SD 4.15Å; F183-M190 HydrophobicContact CD1-CB 4.32Å; F183-M190 HydrophobicContact CG-CE 4.21Å; F183-V191 WeakPolarHBondContact CA-O 3.47Å | ||
| 184 | H | 92.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.3 | 174.7 | -65 | -85.6 | 0 | 0 | 0 | 109.7 | Y140 F144 V178 M190 V191 C193 | Y140-H184 HydrophobicContact CE1-CB 3.67Å; Y140-H184 AromaticContact CE1-CG 3.8Å; Y140-H184 AromaticContact CE1-ND1 3.42Å; Y140-H184 WeakPolarHBondContact CE1-ND1 3.43Å; Y140-H184 AromaticContact CZ-ND1 3.62Å; Y140-H184 WeakPolarHBondContact OH-CB 3.38Å; Y140-H184 PolarHBondContact OH-ND1 2.44Å; F144-H184 AromaticContact CZ-CE1 3.8Å; F144-H184 AromaticContact CZ-ND1 3.81Å; V178-H184 PolarHBondContact O-NE2 3.31Å; H184-M190 CarbonylContact O-C 3.57Å; H184-M190 WeakPolarHBondContact O-CA 3.31Å; H184-V191 HydrophobicContact CB-CB 4.34Å; H184-V191 PolarHBondContact N-O 2.76Å; H184-V191 WeakPolarHBondContact O-CB 3.48Å; H184-V191 PolarHBondContact O-N 2.75Å; H184-C193 PolarHBondContact CD2-SG 3.11Å |
| 185 | E | 92.3 | Very high | 90.6 | Very high | 123 Ų | 123 | 68.3 Ų | 68.3 | 58% | 0.575 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 118.9 | 173.4 | -165.4 | 179.6 | 158.8 | 0 | 0 | 110.4 | Y140 G188 K189 M190 | Y140-E185 VanDerWaalsContact CE2-O 3.31Å; Y140-E185 WeakPolarHBondContact CE2-O 3.47Å; E185-G188 WeakPolarHBondContact OE1-CA 3.39Å; E185-K189 WeakPolarHBondContact CA-O 3.36Å; E185-M190 HydrophobicContact CB-SD 4.26Å |
| 186 | I | 91.5 | Very high | 90.4 | Very high | 6 Ų | 6 | 68.7 Ų | 68.7 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 124.5 | 175.4 | -50.3 | -178.1 | 0 | 0 | 0 | 108.1 | L128 T132 D136 Y140 F141 G188 K189 V191 | L128-I186 HydrophobicContact CD2-CD1 4.34Å; T132-I186 HydrophobicContact CG2-CG2 3.98Å; D136-I186 HydrophobicContact CB-CG2 4.48Å; Y140-I186 HydrophobicContact CD1-CD1 3.6Å; Y140-I186 HydrophobicContact CD1-CG1 3.82Å; Y140-I186 HydrophobicContact CD2-CG1 4.12Å; Y140-I186 HydrophobicContact CE1-CD1 4.15Å; Y140-I186 HydrophobicContact CE1-CG1 4.15Å; Y140-I186 HydrophobicContact CE2-CG1 4.43Å; Y140-I186 HydrophobicContact CG-CD1 3.93Å; Y140-I186 HydrophobicContact CG-CG1 3.82Å; F141-I186 HydrophobicContact CE2-CD1 3.81Å; F141-I186 HydrophobicContact CZ-CD1 4.09Å; I186-G188 VanDerWaalsContact C-N 3.31Å; I186-G188 PolarHBondContact O-N 3.29Å; I186-K189 PolarHBondContact N-O 3.29Å; I186-K189 PolarHBondContact O-N 2.83Å; I186-K189 VanDerWaalsContact O-N 3.13Å; I186-V191 HydrophobicContact CB-CG2 4.08Å; I186-V191 HydrophobicContact CD1-CB 4.48Å; I186-V191 HydrophobicContact CD1-CG1 4.42Å; I186-V191 HydrophobicContact CD1-CG2 4.24Å; I186-V191 HydrophobicContact CG1-CG2 4.12Å |
| 187 | N | 87.9 | Confident | 90.2 | Very high | 80 Ų | 80 | 68.1 Ų | 68.1 | 43% | 0.428 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 44.9 | -175.6 | -60 | -5.2 | 0 | 0 | 0 | 113.7 | T132 D136 K189 | T132-N187 WeakPolarHBondContact CA-ND2 3.39Å; T132-N187 PolarHBondContact OG1-ND2 3.17Å; D136-N187 PolarHBondContact OD2-ND2 2.86Å; N187-K189 VanDerWaalsContact C-N 3.27Å; N187-K189 PolarHBondContact O-N 3.35Å |
| 188 | G | 88.2 | Confident | 89.6 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 67% | 0.67 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 19.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E185 I186 | E185-G188 WeakPolarHBondContact OE1-CA 3.39Å; I186-G188 VanDerWaalsContact C-N 3.31Å; I186-G188 PolarHBondContact O-N 3.29Å |
| 189 | K | 92.1 | Very high | 88.5 | Confident | 86 Ų | 86 | 72.4 Ų | 72.4 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 139.2 | -179.1 | -165.5 | -177.3 | 178.1 | -160.9 | 0 | 111.2 | G127 L128 E185 I186 N187 | G127-K189 VanDerWaalsContact O-CD 3.25Å; G127-K189 WeakPolarHBondContact O-CD 3.42Å; G127-K189 WeakPolarHBondContact O-CE 3.4Å; G127-K189 PolarHBondContact O-NZ 3Å; L128-K189 PolarHBondContact O-NZ 2.86Å; E185-K189 WeakPolarHBondContact CA-O 3.36Å; I186-K189 PolarHBondContact N-O 3.29Å; I186-K189 PolarHBondContact O-N 2.83Å; I186-K189 VanDerWaalsContact O-N 3.13Å; N187-K189 VanDerWaalsContact C-N 3.27Å; N187-K189 PolarHBondContact O-N 3.35Å |
| 190 | M | 92.3 | Very high | 87.4 | Confident | 112 Ų | 112 | 78.4 Ų | 78.4 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 130.6 | 174.5 | -63.4 | -60.6 | -115.2 | 0 | 0 | 111.6 | F183 H184 E185 | F183-M190 HydrophobicContact CB-CE 3.63Å; F183-M190 HydrophobicContact CB-SD 4.15Å; F183-M190 HydrophobicContact CD1-CB 4.32Å; F183-M190 HydrophobicContact CG-CE 4.21Å; H184-M190 CarbonylContact O-C 3.57Å; H184-M190 WeakPolarHBondContact O-CA 3.31Å; E185-M190 HydrophobicContact CB-SD 4.26Å |
| 191 | V | 94.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 76.1 Ų | 76.1 | 1% | 0.006 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134 | -174.4 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | V125 G126 L128 F183 H184 I186 | V125-V191 HydrophobicContact CG1-CG1 3.36Å; G126-V191 CarbonylContact O-C 3.57Å; G126-V191 WeakPolarHBondContact O-CA 3.42Å; G126-V191 VanDerWaalsContact O-CG1 3.31Å; G126-V191 WeakPolarHBondContact O-CG1 3.14Å; L128-V191 HydrophobicContact CD2-CG1 3.93Å; L128-V191 HydrophobicContact CD2-CG2 4.04Å; L128-V191 HydrophobicContact CG-CG1 4.46Å; F183-V191 WeakPolarHBondContact CA-O 3.47Å; H184-V191 HydrophobicContact CB-CB 4.34Å; H184-V191 PolarHBondContact N-O 2.76Å; H184-V191 WeakPolarHBondContact O-CB 3.48Å; H184-V191 PolarHBondContact O-N 2.75Å; I186-V191 HydrophobicContact CB-CG2 4.08Å; I186-V191 HydrophobicContact CD1-CB 4.48Å; I186-V191 HydrophobicContact CD1-CG1 4.42Å; I186-V191 HydrophobicContact CD1-CG2 4.24Å; I186-V191 HydrophobicContact CG1-CG2 4.12Å |
| 192 | E | 93.2 | Very high | 84.6 | Confident | 79 Ų | 79 | 77.5 Ų | 77.5 | 37% | 0.369 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.3 | -179 | -171.6 | -167.8 | -146.5 | 0 | 0 | 110.2 | G126 K194 | G126-E192 PolarHBondContact N-O 3.43Å; G126-E192 PolarHBondContact O-N 2.93Å; E192-K194 WeakPolarHBondContact OE1-CE 3.26Å; E192-K194 IonicContact OE1-NZ 2.74Å; E192-K194 PolarHBondContact OE1-NZ 3.05Å; E192-K194 WeakPolarHBondContact OE2-CE 3.4Å; E192-K194 IonicContact OE2-NZ 3.46Å; E192-K194 PolarHBondContact OE2-NZ 3.22Å |
| 193 | C | 92.7 | Very high | 83.4 | Confident | 8 Ų | 8 | 76.5 Ų | 76.5 | 5% | 0.054 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135.9 | 177.1 | -74.8 | 0 | 0 | 0 | 0 | 112 | F124 F141 V178 H184 | F124-C193 WeakPolarHBondContact O-CA 3.11Å; F141-C193 VanDerWaalsContact CZ-SG 3.56Å; V178-C193 HydrophobicContact CG1-CB 3.95Å; H184-C193 PolarHBondContact CD2-SG 3.11Å |
| 194 | K | 91 | Very high | 81.6 | Confident | 98 Ų | 98 | 75 Ų | 75 | 43% | 0.426 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 150.4 | 178.8 | -77.4 | 170.3 | 175.4 | 152.3 | 0 | 110.3 | I123 F124 E192 A196 | I123-K194 CarbonylContact C-O 3.46Å; I123-K194 WeakPolarHBondContact CA-O 3.19Å; F124-K194 HydrophobicContact CD1-CB 4.38Å; F124-K194 PolarHBondContact N-O 3.07Å; F124-K194 PolarHBondContact O-N 3.35Å; E192-K194 WeakPolarHBondContact OE1-CE 3.26Å; E192-K194 IonicContact OE1-NZ 2.74Å; E192-K194 PolarHBondContact OE1-NZ 3.05Å; E192-K194 WeakPolarHBondContact OE2-CE 3.4Å; E192-K194 IonicContact OE2-NZ 3.46Å; E192-K194 PolarHBondContact OE2-NZ 3.22Å; K194-A196 PolarHBondContact O-N 3.5Å |
| 195 | K | 90.6 | Very high | 79.7 | Confident | 24 Ų | 24 | 81 Ų | 81 | 10% | 0.104 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 123 | 173.2 | -66.8 | -161.5 | 176.1 | -150.9 | 0 | 110.1 | V117 T120 V175 E176 V179 Q197 | V117-K195 HydrophobicContact CG1-CD 3.64Å; V117-K195 VanDerWaalsContact CG1-NZ 3.29Å; T120-K195 HydrophobicContact CG2-CB 3.96Å; T120-K195 HydrophobicContact CG2-CD 4.34Å; T120-K195 HydrophobicContact CG2-CG 4.42Å; V175-K195 HydrophobicContact CG1-CD 4.14Å; V175-K195 HydrophobicContact CG1-CG 3.83Å; E176-K195 IonicContact OE1-NZ 3.62Å; E176-K195 PolarHBondContact OE1-NZ 2.99Å; V179-K195 HydrophobicContact CB-CG 4.41Å; V179-K195 HydrophobicContact CG1-CG 4.31Å; V179-K195 HydrophobicContact CG2-CG 3.93Å; K195-Q197 PolarHBondContact O-N 3.47Å; K195-Q197 PolarHBondContact O-NE2 3.3Å |
| 196 | A | 88.7 | Confident | 77.6 | Confident | 8 Ų | 8 | 82.7 Ų | 82.7 | 7% | 0.066 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 126.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111 | K122 F124 F166 K194 | K122-A196 HydrophobicContact CB-CB 4Å; K122-A196 HydrophobicContact CG-CB 4.21Å; K122-A196 WeakPolarHBondContact O-CB 3.16Å; K122-A196 PolarHBondContact O-N 3.22Å; F124-A196 HydrophobicContact CB-CB 4.46Å; F166-A196 HydrophobicContact CD1-CB 3.89Å; F166-A196 HydrophobicContact CE1-CB 4.1Å; K194-A196 PolarHBondContact O-N 3.5Å |
| 197 | Q | 84 | Confident | 75.6 | Confident | 77 Ų | 77 | 88.6 Ų | 88.6 | 36% | 0.36 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 142.3 | 174.9 | -63.6 | -56.8 | -68.3 | 0 | 0 | 110.5 | K195 M202 | K195-Q197 PolarHBondContact O-N 3.47Å; K195-Q197 PolarHBondContact O-NE2 3.3Å; Q197-M202 HydrophobicContact CB-CG 3.89Å; Q197-M202 HydrophobicContact CB-SD 4.21Å |
| 198 | P | 78.3 | Confident | 73.8 | Confident | 63 Ų | 63 | 87.8 Ų | 87.8 | 41% | 0.409 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 140.4 | 172.2 | -24.6 | 34.4 | 0 | 0 | 0 | 111.4 | E200 V201 M202 | P198-E200 PolarHBondContact O-N 3.36Å; P198-V201 HydrophobicContact CB-CG2 4.35Å; P198-V201 PolarHBondContact O-N 2.8Å; P198-M202 PolarHBondContact O-N 2.89Å |
| 199 | K | 69.8 | Low | 72.1 | Confident | 153 Ų | 153 | 93.2 Ų | 93.2 | 67% | 0.665 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -29.1 | -176.1 | -69.5 | 179.9 | -179.8 | 172.4 | 0 | 113.2 | V201 M202 L203 | K199-V201 VanDerWaalsContact C-N 3.35Å; K199-M202 PolarHBondContact O-N 2.96Å; K199-L203 PolarHBondContact O-N 3.44Å |
| 200 | E | 65.2 | Low | 70 | Confident | 169 Ų | 169 | 92.9 Ų | 92.9 | 79% | 0.79 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -38.3 | 176.2 | -65.5 | 169.6 | -158 | 0 | 0 | 112.6 | P198 | P198-E200 PolarHBondContact O-N 3.36Š|
| 201 | V | 60.7 | Low | 68 | Low | 104 Ų | 104 | 96.3 Ų | 96.3 | 63% | 0.63 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -26.4 | 176.2 | -172 | 0 | 0 | 0 | 0 | 111.2 | P198 K199 L203 | P198-V201 HydrophobicContact CB-CG2 4.35Å; P198-V201 PolarHBondContact O-N 2.8Å; K199-V201 VanDerWaalsContact C-N 3.35Å; V201-L203 VanDerWaalsContact C-N 3.35Å |
| 202 | M | 59.7 | Low | 66 | Low | 97 Ų | 97 | 99.3 Ų | 99.3 | 48% | 0.478 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -0.7 | 179.9 | -64.2 | -171.8 | 75.6 | 0 | 0 | 114.6 | Q197 P198 K199 P204 | Q197-M202 HydrophobicContact CB-CG 3.89Å; Q197-M202 HydrophobicContact CB-SD 4.21Å; P198-M202 PolarHBondContact O-N 2.89Å; K199-M202 PolarHBondContact O-N 2.96Å; M202-P204 WeakPolarHBondContact O-CD 3.31Å |
| 203 | L | 56.5 | Low | 64 | Low | 128 Ų | 128 | 99.1 Ų | 99.1 | 67% | 0.67 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -66.2 | 123.4 | 174.5 | -71.1 | 177.5 | 0 | 0 | 0 | 110.1 | K199 V201 V205 | K199-L203 PolarHBondContact O-N 3.44Å; V201-L203 VanDerWaalsContact C-N 3.35Å; L203-V205 PolarHBondContact O-N 3.34Å |
| 204 | P | 53.7 | Low | 62.1 | Low | 92 Ų | 92 | 102 Ų | 102 | 60% | 0.597 | 55% | 0.551 | S | S | * | * | trans | -59.3 | 141 | -179.7 | -25.3 | 34.6 | 0 | 0 | 0 | 112.4 | M202 Q206 | M202-P204 WeakPolarHBondContact O-CD 3.31Å; P204-Q206 HydrophobicContact CB-CB 4.5Å; P204-Q206 HydrophobicContact CB-CG 4.24Å; P204-Q206 PolarHBondContact O-N 3.19Å | ||
| 205 | V | 52.1 | Low | 60.2 | Low | 128 Ų | 128 | 107.3 Ų | 107.3 | 78% | 0.776 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 55.9 | 173.6 | -167.7 | 0 | 0 | 0 | 0 | 110.6 | L203 A208 | L203-V205 PolarHBondContact O-N 3.34Å; V205-A208 HydrophobicContact CG1-CB 3.94Å |
| 206 | Q | 46.8 | Very low | 58.1 | Low | 158 Ų | 158 | 113.2 Ų | 113.2 | 74% | 0.738 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | -35.8 | 177.2 | -66.3 | -167.4 | -9 | 0 | 0 | 111.3 | P204 A208 K209 | P204-Q206 HydrophobicContact CB-CB 4.5Å; P204-Q206 HydrophobicContact CB-CG 4.24Å; P204-Q206 PolarHBondContact O-N 3.19Å; Q206-A208 VanDerWaalsContact C-N 3.28Å; Q206-A208 PolarHBondContact O-N 2.94Å; Q206-K209 PolarHBondContact O-N 3.34Å |
| 207 | L | 49.8 | Very low | 56.1 | Low | 131 Ų | 131 | 119 Ų | 119 | 69% | 0.686 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -27 | 172.6 | -157 | 71.3 | 0 | 0 | 0 | 112.4 | K209 S210 | L207-K209 PolarHBondContact O-N 3.26Å; L207-S210 PolarHBondContact O-N 3.13Å |
| 208 | A | 51.5 | Low | 54.3 | Low | 63 Ų | 63 | 125.4 Ų | 125.4 | 52% | 0.521 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -60.1 | -32 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | V205 Q206 S210 | V205-A208 HydrophobicContact CG1-CB 3.94Å; Q206-A208 VanDerWaalsContact C-N 3.28Å; Q206-A208 PolarHBondContact O-N 2.94Å; A208-S210 VanDerWaalsContact C-N 3.31Å; A208-S210 PolarHBondContact O-N 2.95Å |
| 209 | K | 51 | Low | 52.8 | Low | 178 Ų | 178 | 126 Ų | 126 | 77% | 0.774 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.5 | -19.4 | -175.5 | -150.9 | 164.3 | -173.2 | 174.3 | 0 | 113.2 | Q206 L207 | Q206-K209 PolarHBondContact O-N 3.34Å; L207-K209 PolarHBondContact O-N 3.26Å |
| 210 | S | 47.6 | Very low | 51.8 | Low | 80 Ų | 80 | 125.7 Ų | 125.7 | 56% | 0.559 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -78 | -41.8 | 175.7 | -169.7 | 0 | 0 | 0 | 0 | 112.3 | L207 A208 A212 A213 | L207-S210 PolarHBondContact O-N 3.13Å; A208-S210 VanDerWaalsContact C-N 3.31Å; A208-S210 PolarHBondContact O-N 2.95Å; S210-A212 PolarHBondContact O-N 3.36Å; S210-A213 PolarHBondContact O-N 3.44Å |
| 211 | R | 51.4 | Low | 50.8 | Low | 184 Ų | 184 | 122.3 Ų | 122.3 | 69% | 0.694 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70.6 | -14.3 | 179 | -77.6 | -171.8 | 166.9 | 112.9 | -1.5 | 114.8 | ||
| 212 | A | 51.3 | Low | 50.2 | Low | 63 Ų | 63 | 124 Ų | 124 | 52% | 0.521 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -69.5 | -35.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S210 S214 R215 | S210-A212 PolarHBondContact O-N 3.36Å; A212-S214 PolarHBondContact O-N 3.39Å; A212-R215 PolarHBondContact O-N 2.86Å |
| 213 | A | 52.3 | Low | 49.8 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 63% | 0.628 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -65.8 | -36.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S210 R215 | S210-A213 PolarHBondContact O-N 3.44Å; A213-R215 PolarHBondContact O-N 3.49Å |
| 214 | S | 51.6 | Low | 49.4 | Very low | 68 Ų | 68 | 129.8 Ų | 129.8 | 48% | 0.476 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.9 | -4.8 | -177.7 | -48.5 | 0 | 0 | 0 | 0 | 115.3 | A212 Y218 | A212-S214 PolarHBondContact O-N 3.39Å; S214-Y218 VanDerWaalsContact O-CE2 3.29Å; S214-Y218 WeakPolarHBondContact O-CE2 3.49Å |
| 215 | R | 51.3 | Low | 49.2 | Very low | 209 Ų | 209 | 134 Ų | 134 | 79% | 0.789 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -17.9 | 179.3 | -74.1 | -170.9 | 179.8 | 169 | 0.6 | 114.5 | A212 A213 | A212-R215 PolarHBondContact O-N 2.86Å; A213-R215 PolarHBondContact O-N 3.49Å |
| 216 | N | 47.9 | Very low | 49.3 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -95 | 10.9 | -178.5 | -71.8 | -2 | 0 | 0 | 0 | 113.9 | ||
| 217 | L | 46.1 | Very low | 49.4 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 68% | 0.681 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -117 | 21.1 | -176.4 | -159.1 | 56.5 | 0 | 0 | 0 | 114 | ||
| 218 | Y | 45.9 | Very low | 49.3 | Very low | 211 Ų | 211 | 131.5 Ų | 131.5 | 83% | 0.827 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -117.3 | 81.9 | 167.8 | -58.5 | -75.7 | 0 | 0 | 0 | 108.5 | S214 | S214-Y218 VanDerWaalsContact O-CE2 3.29Å; S214-Y218 WeakPolarHBondContact O-CE2 3.49Å |
| 219 | G | 47.4 | Very low | 49.5 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 163.9 | -19.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | S221 | G219-S221 PolarHBondContact O-N 3.49Š|
| 220 | L | 47.4 | Very low | 49.6 | Very low | 147 Ų | 147 | 126 Ų | 126 | 77% | 0.77 | 68% | 0.679 | S | S | * | * | trans | -82 | 105.7 | 168.6 | -89.2 | 170.1 | 0 | 0 | 0 | 109.9 | ||||
| 221 | S | 44.2 | Very low | 50.1 | Low | 99 Ų | 99 | 126.9 Ų | 126.9 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | trans | -69 | 148 | 174.9 | 43.8 | 0 | 0 | 0 | 0 | 112.4 | G219 H223 | G219-S221 PolarHBondContact O-N 3.49Å; S221-H223 PolarHBondContact O-N 3.47Å | ||
| 222 | D | 49.3 | Very low | 50 | Low | 139 Ų | 139 | 126.7 Ų | 126.7 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.6 | -15.4 | -158.1 | -65.3 | -87.8 | 0 | 0 | 0 | 119.8 | F224 | D222-F224 PolarHBondContact O-N 3Š|
| 223 | H | 51 | Low | 49.9 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 75% | 0.75 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -12.5 | -159.8 | -86 | -64.4 | 0 | 0 | 0 | 117.3 | S221 | S221-H223 PolarHBondContact O-N 3.47Š|
| 224 | F | 47.5 | Very low | 49.6 | Very low | 185 Ų | 185 | 132.3 Ų | 132.3 | 81% | 0.811 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -29.3 | -178.9 | -109.5 | -95.5 | 0 | 0 | 0 | 115.4 | D222 A226 | D222-F224 PolarHBondContact O-N 3Å; F224-A226 PolarHBondContact O-N 3.28Å |
| 225 | F | 49.7 | Very low | 49.3 | Very low | 180 Ų | 180 | 140.8 Ų | 140.8 | 79% | 0.789 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -70.4 | -33.5 | -175.9 | -159.9 | -100.1 | 0 | 0 | 0 | 112.4 | N227 A229 | F225-N227 VanDerWaalsContact C-N 3.3Å; F225-N227 PolarHBondContact O-N 2.85Å; F225-A229 PolarHBondContact O-N 3.45Å |
| 226 | A | 53.5 | Low | 48.8 | Very low | 73 Ų | 73 | 139 Ų | 139 | 60% | 0.603 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -61.6 | -30.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F224 | F224-A226 PolarHBondContact O-N 3.28Å |
| 227 | N | 50.4 | Low | 48.4 | Very low | 120 Ų | 120 | 137 Ų | 137 | 64% | 0.642 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -86.2 | -31.1 | -177.2 | -91.8 | -62 | 0 | 0 | 0 | 113.9 | F225 A230 | F225-N227 VanDerWaalsContact C-N 3.3Å; F225-N227 PolarHBondContact O-N 2.85Å; N227-A230 PolarHBondContact O-N 2.83Å |
| 228 | Y | 47.2 | Very low | 48.2 | Very low | 171 Ų | 171 | 142 Ų | 142 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -75.8 | -32.8 | 179.5 | -165.7 | -104.2 | 0 | 0 | 0 | 112.3 | A230 T231 Y232 | Y228-A230 PolarHBondContact O-N 2.97Å; Y228-T231 PolarHBondContact O-OG1 3.33Å; Y228-Y232 HydrophobicContact CE2-CD2 4.45Å |
| 229 | A | 55.3 | Low | 48.1 | Very low | 48 Ų | 48 | 135.9 Ų | 135.9 | 40% | 0.397 | 72% | 0.722 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.2 | -22.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | F225 | F225-A229 PolarHBondContact O-N 3.45Š|
| 230 | A | 54.4 | Low | 48 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 65% | 0.653 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -15.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | N227 Y228 | N227-A230 PolarHBondContact O-N 2.83Å; Y228-A230 PolarHBondContact O-N 2.97Å |
| 231 | T | 56.2 | Low | 47.8 | Very low | 98 Ų | 98 | 136 Ų | 136 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | -14.7 | -168.7 | 39.2 | 0 | 0 | 0 | 0 | 115.9 | Y228 | Y228-T231 PolarHBondContact O-OG1 3.33Š|
| 232 | Y | 50.7 | Low | 47.7 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -128.8 | 7.3 | -172.8 | -79 | -80.1 | 0 | 0 | 0 | 116.3 | Y228 | Y228-Y232 HydrophobicContact CE2-CD2 4.45Š|
| 233 | L | 49.7 | Very low | 47.2 | Very low | 141 Ų | 141 | 143 Ų | 143 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | -97 | 115.7 | 175.2 | -74.7 | 174.5 | 0 | 0 | 0 | 112.1 | ||||
| 234 | P | 46 | Very low | 46.6 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | trans | -69.5 | 137.2 | 172.4 | 28.9 | -33.1 | 0 | 0 | 0 | 111 | L236 | P234-L236 PolarHBondContact O-N 2.75Š| ||
| 235 | R | 43.9 | Very low | 46.4 | Very low | 246 Ų | 246 | 141.2 Ų | 141.2 | 93% | 0.928 | 73% | 0.73 | S | S | * | * | trans | -45.2 | 114.9 | 178.4 | -65.5 | -78.9 | -170 | 148.8 | 2.1 | 113.1 | ||||
| 236 | L | 40.3 | Very low | 46 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 90% | 0.901 | 73% | 0.725 | S | S | * | * | trans | -154.6 | 121.4 | 148.1 | -110.5 | 150.9 | 0 | 0 | 0 | 111.5 | P234 | P234-L236 PolarHBondContact O-N 2.75Š| ||
| 237 | S | 39.9 | Very low | 45.4 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | -66.8 | 128.4 | -167.9 | 47.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 238 | Y | 42.1 | Very low | 45 | Very low | 233 Ų | 233 | 139.4 Ų | 139.4 | 91% | 0.914 | 74% | 0.737 | S | S | * | * | -155.5 | 155.4 | 121.5 | -147.3 | -107.1 | 0 | 0 | 0 | 110.7 | |||||
| 239 | S | 43.6 | Very low | 44.5 | Very low | 84 Ų | 84 | 142.2 Ų | 142.2 | 59% | 0.587 | 75% | 0.748 | S | S | * | * | trans | -119.9 | 149.1 | 174.6 | -172 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 240 | P | 45.2 | Very low | 43.8 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | -135.1 | 155.3 | 105.8 | 33.9 | -22.2 | 0 | 0 | 0 | 114 | |||||
| 241 | S | 44 | Very low | 43 | Very low | 98 Ų | 98 | 149.8 Ų | 149.8 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | -78.9 | 162.8 | 169.8 | 48 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 242 | L | 42.3 | Very low | 42.2 | Very low | 164 Ų | 164 | 154 Ų | 154 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | 162.5 | 98.6 | 139.9 | -86.8 | 165.8 | 0 | 0 | 0 | 107.6 | ||||
| 243 | Y | 38.3 | Very low | 41.8 | Very low | 221 Ų | 221 | 153.1 Ų | 153.1 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | 82.5 | 109.2 | 85 | -153.1 | -93.8 | 0 | 0 | 0 | 114.1 | |||||
| 244 | Y | 37.9 | Very low | 41.4 | Very low | 208 Ų | 208 | 150.6 Ų | 150.6 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | -65.1 | -175.1 | 170.2 | -107.5 | -63.5 | 0 | 0 | 0 | 111.7 | ||||
| 245 | P | 42.9 | Very low | 41.1 | Very low | 101 Ų | 101 | 150.8 Ų | 150.8 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | cis | -141.8 | -178.5 | -14.5 | 38.1 | -17.9 | 0 | 0 | 0 | 117.9 | ||||
| 246 | A | 41.9 | Very low | 40.9 | Very low | 82 Ų | 82 | 142.1 Ų | 142.1 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | 85.4 | 129.2 | 135.9 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 247 | S | 41.8 | Very low | 40.9 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 52.9 | 121.1 | 139 | 64.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 248 | L | 40.6 | Very low | 41 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | -167.6 | 139.8 | 117.3 | -124.8 | 69.2 | 0 | 0 | 0 | 111.1 | |||||
| 249 | Y | 38.4 | Very low | 40.7 | Very low | 230 Ų | 230 | 140.7 Ų | 140.7 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | trans | 37.9 | 145.2 | 146.5 | -74.1 | -135.9 | 0 | 0 | 0 | 120.7 | ||||
| 250 | G | 39.8 | Very low | 40.3 | Very low | 69 Ų | 69 | 146.4 Ų | 146.4 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | cis | 177.7 | 173.7 | 2.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 251 | Y | 38.6 | Very low | 40.2 | Very low | 217 Ų | 217 | 146 Ų | 146 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -41.8 | 152.6 | -176.2 | -69.3 | -100.1 | 0 | 0 | 0 | 118.8 | ||||
| 252 | F | 39.3 | Very low | 39.8 | Very low | 187 Ų | 187 | 147.8 Ų | 147.8 | 82% | 0.82 | 77% | 0.773 | S | S | * | * | -160.1 | 126.6 | 114.4 | -124.6 | -103.6 | 0 | 0 | 0 | 113.4 | |||||
| 253 | F | 40.5 | Very low | 39.6 | Very low | 160 Ų | 160 | 147.2 Ų | 147.2 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | 13.7 | 126.3 | 156.4 | -64 | -95.3 | 0 | 0 | 0 | 121.1 | ||||
| 254 | A | 41.4 | Very low | 39.5 | Very low | 88 Ų | 88 | 140.3 Ų | 140.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 80.6 | 146 | 72.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 255 | S | 41.1 | Very low | 39.4 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | cis | -138.8 | 157.8 | 11.3 | -58.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 256 | G | 39.8 | Very low | 39.1 | Very low | 64 Ų | 64 | 139.4 Ų | 139.4 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | 100.7 | 104.5 | 93 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 257 | D | 40.5 | Very low | 38.9 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | 82.8 | 139.3 | 101.5 | -82.2 | -11.6 | 0 | 0 | 0 | 114.3 | |||||
| 258 | K | 41.3 | Very low | 38.7 | Very low | 176 Ų | 176 | 142 Ų | 142 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | cis | -157.2 | 146.9 | -4.9 | -122.9 | 154.4 | -167.3 | 144.6 | 0 | 110.3 | ||||
| 259 | L | 35.4 | Very low | 38.6 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | -98.2 | 154.2 | 161.6 | -97.5 | 165.9 | 0 | 0 | 0 | 109.3 | ||||
| 260 | Y | 36.1 | Very low | 38.6 | Very low | 205 Ų | 205 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -138.4 | 149.9 | -177.8 | -155.3 | -109.9 | 0 | 0 | 0 | 111.2 | ||||
| 261 | T | 41.7 | Very low | 38.6 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | trans | 64.1 | 135.5 | 173.4 | 39.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 262 | D | 36 | Very low | 39.3 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | -162 | 178.3 | -8.8 | -163.5 | 14.7 | 0 | 0 | 0 | 111.4 | ||||
| 263 | L | 37.8 | Very low | 39.7 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | 84.2 | 127.7 | 166.3 | -50.5 | 178.3 | 0 | 0 | 0 | 116.7 | ||||
| 264 | G | 36.4 | Very low | 39.9 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | -85.8 | -160.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 265 | F | 35.5 | Very low | 40.1 | Very low | 190 Ų | 190 | 131.2 Ų | 131.2 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | cis | -158.6 | 152.5 | 35.7 | -153.7 | -117.6 | 0 | 0 | 0 | 113.2 | ||||
| 266 | T | 37.4 | Very low | 39.9 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 61% | 0.613 | 77% | 0.77 | S | S | * | * | trans | 51.1 | 104.6 | 163 | 47.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 267 | T | 38.3 | Very low | 40.2 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | 69.4 | 132.3 | 72.3 | 64.8 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 268 | P | 35.8 | Very low | 40.2 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -130 | 166.9 | 140.7 | 39.6 | -29.5 | 0 | 0 | 0 | 113.8 | ||||
| 269 | T | 39.8 | Very low | 40.5 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 66.5 | 100 | 160 | -50.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 270 | L | 38.6 | Very low | 40.8 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | 86.3 | 149.9 | 68.6 | -76.2 | 166.5 | 0 | 0 | 0 | 115.6 | |||||
| 271 | T | 39.4 | Very low | 41 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | 79 | 128.2 | -179.4 | 71.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 272 | V | 52.2 | Low | 41.1 | Very low | 131 Ų | 131 | 138 Ų | 138 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | cis | 112.3 | 133.3 | 14.1 | 160.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 273 | P | 48.4 | Very low | 41.3 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | cis | -148.7 | -162.4 | -19.8 | 42.4 | -21.5 | 0 | 0 | 0 | 116.1 | ||||
| 274 | N | 44.6 | Very low | 41.6 | Very low | 164 Ų | 164 | 140 Ų | 140 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | 80 | 138.9 | 151.8 | -67.7 | -8.1 | 0 | 0 | 0 | 121.1 | ||||
| 275 | G | 46.3 | Very low | 41.9 | Very low | 82 Ų | 82 | 144 Ų | 144 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 131.1 | 74.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 276 | R | 37 | Very low | 42.1 | Very low | 233 Ų | 233 | 138.4 Ų | 138.4 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -141.4 | 130 | -175.7 | -164.7 | 179.7 | -165.3 | 161.4 | 5.4 | 111.8 | ||||
| 277 | H | 45.9 | Very low | 42.3 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | trans | -130.3 | 129.6 | 160.7 | -86.8 | -71.6 | 0 | 0 | 0 | 108.9 | ||||
| 278 | D | 41 | Very low | 42.3 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 67% | 0.674 | 79% | 0.789 | S | S | * | * | trans | 38.3 | 135.3 | 130.3 | -50 | -55.4 | 0 | 0 | 0 | 119.4 | ||||
| 279 | L | 46.4 | Very low | 43.1 | Very low | 156 Ų | 156 | 144.2 Ų | 144.2 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | cis | -140.1 | 165.9 | 38.1 | -76.9 | 160.9 | 0 | 0 | 0 | 115.2 | ||||
| 280 | T | 42.6 | Very low | 43.4 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | -29.7 | 157.1 | 161.1 | 56.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 281 | R | 40.3 | Very low | 43.8 | Very low | 236 Ų | 236 | 144.2 Ų | 144.2 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | cis | -166.4 | 156.1 | 22.2 | -132 | 167.3 | -177.7 | -180 | 0.2 | 105 | ||||
| 282 | S | 44.1 | Very low | 44.2 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | 171.6 | 129.4 | 55.4 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 283 | M | 40 | Very low | 43.7 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 82% | 0.823 | 79% | 0.79 | S | S | * | * | trans | 58.4 | 141.9 | 144.7 | -62.5 | -174 | -175.6 | 0 | 0 | 124.6 | ||||
| 284 | L | 44.6 | Very low | 44.3 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | 58.1 | 117.8 | 160.2 | -88.2 | 52.1 | 0 | 0 | 0 | 118.2 | ||||
| 285 | N | 41.3 | Very low | 44.3 | Very low | 162 Ų | 162 | 144 Ų | 144 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | cis | 89 | 107.6 | 45.6 | -176.2 | 91.8 | 0 | 0 | 0 | 114 | ||||
| 286 | G | 40.7 | Very low | 44.2 | Very low | 71 Ų | 71 | 146 Ų | 146 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | 173.9 | 133 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 287 | Y | 40.4 | Very low | 44.8 | Very low | 249 Ų | 249 | 140.8 Ų | 140.8 | 98% | 0.976 | 80% | 0.797 | S | S | * | * | trans | -85.3 | 173.5 | -173.4 | -120.5 | -116 | 0 | 0 | 0 | 113.9 | ||||
| 288 | A | 38.3 | Very low | 44.7 | Very low | 85 Ų | 85 | 136.1 Ų | 136.1 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | -116.2 | 162.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 289 | P | 53.4 | Low | 45 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -97 | 172 | 155.5 | 38.6 | -31.7 | 0 | 0 | 0 | 111.6 | ||||
| 290 | G | 45 | Very low | 44.9 | Very low | 62 Ų | 62 | 137.3 Ų | 137.3 | 64% | 0.639 | 80% | 0.801 | S | S | * | * | cis | 155.2 | 149.1 | -8.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 291 | Y | 47.4 | Very low | 45.1 | Very low | 213 Ų | 213 | 143.2 Ų | 143.2 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | 60 | 102.7 | 155 | -70.8 | -88.3 | 0 | 0 | 0 | 120.6 | ||||
| 292 | V | 47.8 | Very low | 45.4 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | 69.1 | 145.8 | 94.3 | -45.6 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 293 | S | 42.8 | Very low | 45.5 | Very low | 116 Ų | 116 | 144 Ų | 144 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | -121.6 | 139.6 | 174.7 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 294 | P | 59.9 | Low | 46.3 | Very low | 132 Ų | 132 | 142 Ų | 142 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -88.3 | 152.6 | 178.1 | 34.3 | -34.3 | 0 | 0 | 0 | 114.1 | ||||
| 295 | T | 44.4 | Very low | 46.1 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -87.1 | 160.1 | 178.6 | 46.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 296 | S | 46 | Very low | 46.2 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -149.6 | 123.6 | 149.9 | -162.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 297 | P | 48 | Very low | 46.4 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -120.1 | 167.9 | -173 | 41.6 | -32.6 | 0 | 0 | 0 | 115.9 | ||||
| 298 | G | 45 | Very low | 47 | Very low | 71 Ų | 71 | 133.8 Ų | 133.8 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | 122.1 | 149.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 299 | T | 45.7 | Very low | 47.6 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | cis | -152.2 | 150.9 | 5 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 300 | H | 45.6 | Very low | 47.1 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -44.1 | 148.9 | -176.9 | -57.2 | -102.8 | 0 | 0 | 0 | 119.4 | ||||
| 301 | R | 46.5 | Very low | 47 | Very low | 243 Ų | 243 | 136.1 Ų | 136.1 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | -171.2 | 132.2 | 104.8 | -105.9 | -176.4 | 179.4 | -159.5 | -0 | 114.9 | |||||
| 302 | P | 47.3 | Very low | 46.8 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 71% | 0.714 | 81% | 0.814 | S | S | * | * | trans | -100.3 | 171.7 | 164.2 | 38.3 | -32.6 | 0 | 0 | 0 | 113.1 | ||||
| 303 | Y | 45.7 | Very low | 46.6 | Very low | 233 Ų | 233 | 131.1 Ų | 131.1 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -77.4 | 146.1 | 176.5 | -66.1 | -93.3 | 0 | 0 | 0 | 113.8 | ||||
| 304 | P | 57.4 | Low | 46.6 | Very low | 126 Ų | 126 | 134 Ų | 134 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -106.9 | 167.3 | 154.8 | 37.8 | -29.6 | 0 | 0 | 0 | 112.3 | ||||
| 305 | A | 39.7 | Very low | 45.8 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | trans | -120.7 | 156.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 306 | A | 43.7 | Very low | 45.9 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -150 | 127.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 307 | A | 44.3 | Very low | 45.6 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | 69.2 | 130.7 | 67.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 308 | M | 53 | Low | 45.7 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | cis | -155 | 173.9 | -2.2 | -100.9 | -72.3 | -178 | 0 | 0 | 109.2 | ||||
| 309 | P | 50.9 | Low | 45.7 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | trans | -108.6 | -164.5 | -162.4 | 43.2 | -39.4 | 0 | 0 | 0 | 116.6 | ||||
| 310 | S | 42.4 | Very low | 45.5 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | 86.3 | 156.4 | 173.8 | 85.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 311 | A | 43.9 | Very low | 45.3 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | cis | -149.5 | 162.9 | 3.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 312 | T | 42.1 | Very low | 45.2 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | -49 | 138.4 | 169.9 | -48.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 313 | S | 43.8 | Very low | 44.8 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -172.2 | 134.8 | 139.5 | -158.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 314 | Q | 43.3 | Very low | 44.4 | Very low | 177 Ų | 177 | 120.3 Ų | 120.3 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | cis | 73.7 | 105.8 | 43.4 | -71.1 | -162.9 | 1.8 | 0 | 0 | 116.3 | ||||
| 315 | A | 42.5 | Very low | 44.3 | Very low | 91 Ų | 91 | 121 Ų | 121 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -173.3 | 129.3 | 148.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 316 | M | 45.9 | Very low | 44.7 | Very low | 172 Ų | 172 | 121.9 Ų | 121.9 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | 59.6 | 134.6 | 64.8 | -68.5 | -169.7 | 157.6 | 0 | 0 | 112.9 | |||||
| 317 | D | 40.8 | Very low | 44.8 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | cis | -172.1 | -170.7 | -14.4 | -124.6 | -52.4 | 0 | 0 | 0 | 107.3 | ||||
| 318 | I | 49.8 | Very low | 44.8 | Very low | 142 Ų | 142 | 128 Ų | 128 | 73% | 0.728 | 79% | 0.79 | S | S | * | * | trans | 133.6 | 112.1 | 144 | -69.9 | 165.4 | 0 | 0 | 0 | 116.7 | ||||
| 319 | Y | 45.7 | Very low | 44.3 | Very low | 222 Ų | 222 | 125.6 Ų | 125.6 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | trans | 44.3 | 146.5 | 141 | -67.9 | -111.4 | 0 | 0 | 0 | 122.2 | ||||
| 320 | A | 40.9 | Very low | 44.3 | Very low | 79 Ų | 79 | 125.2 Ų | 125.2 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | cis | -171.2 | 170.4 | -15.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 321 | A | 41.9 | Very low | 44.2 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 17.6 | 146.4 | 141.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 322 | A | 43.9 | Very low | 44.5 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | cis | -169 | 164.7 | -2.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 323 | G | 39.5 | Very low | 44.7 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | 81 | 155.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 324 | G | 37.7 | Very low | 45 | Very low | 66 Ų | 66 | 132.7 Ų | 132.7 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | cis | 152.3 | 134.2 | -8.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 325 | T | 54.5 | Low | 45.4 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | 63.5 | 129.4 | 173.8 | 63.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 326 | P | 49 | Very low | 45.9 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -116.7 | 132.9 | 158.6 | 35.6 | -24.3 | 0 | 0 | 0 | 111.7 | ||||
| 327 | E | 44.4 | Very low | 46.5 | Very low | 167 Ų | 167 | 127.9 Ų | 127.9 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | trans | -149.1 | 148.2 | 179.1 | -115 | -165.2 | 121.4 | 0 | 0 | 116.2 | ||||
| 328 | L | 45.8 | Very low | 47.2 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | 59.1 | 113.1 | 155.5 | -53.4 | -175.6 | 0 | 0 | 0 | 122.8 | ||||
| 329 | T | 40.7 | Very low | 47.4 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -82.2 | -172.9 | 150.9 | 54.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 330 | P | 50.7 | Low | 48 | Very low | 98 Ų | 98 | 124.6 Ų | 124.6 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | cis | -132.3 | -161.8 | -25.8 | 21 | 5 | 0 | 0 | 0 | 113.3 | ||||
| 331 | Y | 40.7 | Very low | 49.2 | Very low | 211 Ų | 211 | 129 Ų | 129 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 84.9 | 121.8 | 160.5 | -68.9 | -76.3 | 0 | 0 | 0 | 120.9 | ||||
| 332 | L | 49.8 | Very low | 50 | Low | 167 Ų | 167 | 129.3 Ų | 129.3 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | -163.5 | 128.8 | 128.6 | -106.5 | 178.5 | 0 | 0 | 0 | 110.5 | |||||
| 333 | P | 46.4 | Very low | 51 | Low | 104 Ų | 104 | 133.1 Ų | 133.1 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | trans | -119.7 | 120.6 | 177 | 36.4 | -24.6 | 0 | 0 | 0 | 114.8 | ||||
| 334 | T | 51.7 | Low | 51.9 | Low | 131 Ų | 131 | 138.1 Ų | 138.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -174.4 | 153.6 | 171 | 34.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 335 | V | 52.1 | Low | 52.7 | Low | 132 Ų | 132 | 143.8 Ų | 143.8 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | cis | -156.7 | 161 | -9 | 114.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 336 | S | 52.5 | Low | 52.9 | Low | 108 Ų | 108 | 147.1 Ų | 147.1 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -115.3 | 143.2 | 176.1 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 337 | P | 57.1 | Low | 53.2 | Low | 98 Ų | 98 | 149.4 Ų | 149.4 | 64% | 0.636 | 82% | 0.819 | S | S | * | * | -149.4 | -166.4 | 101.9 | 34.7 | -12.1 | 0 | 0 | 0 | 112.5 | |||||
| 338 | Q | 57.5 | Low | 53.7 | Low | 167 Ų | 167 | 148.5 Ų | 148.5 | 78% | 0.78 | 82% | 0.821 | S | S | * | * | cis | -144.2 | 161.9 | 10.3 | -75.4 | -69.1 | 9.4 | 0 | 0 | 111.4 | ||||
| 339 | P | 53.5 | Low | 54.1 | Low | 111 Ų | 111 | 148.5 Ų | 148.5 | 72% | 0.721 | 82% | 0.824 | S | S | * | * | trans | -106.7 | 154.6 | 167.1 | 38.5 | -30.5 | 0 | 0 | 0 | 115 | ||||
| 340 | L | 58.6 | Low | 54.8 | Low | 152 Ų | 152 | 149.6 Ų | 149.6 | 80% | 0.796 | 83% | 0.826 | S | S | * | * | trans | -150.2 | 151.1 | 171.6 | -66.7 | 173.2 | 0 | 0 | 0 | 108 | ||||
| 341 | H | 65.4 | Low | 55.1 | Low | 172 Ų | 172 | 152.6 Ų | 152.6 | 80% | 0.796 | 84% | 0.837 | S | S | * | * | cis | -149.8 | -175.2 | -6.8 | -125.5 | -19.8 | 0 | 0 | 0 | 107.3 | ||||
| 342 | P | 58.9 | Low | 56 | Low | 105 Ų | 105 | 149 Ų | 149 | 68% | 0.682 | 84% | 0.837 | S | S | * | * | trans | -110.9 | 162 | -153 | 26.8 | -6.1 | 0 | 0 | 0 | 115.8 | ||||
| 343 | L | 64.7 | Low | 56.4 | Low | 183 Ų | 183 | 147.8 Ų | 147.8 | 96% | 0.958 | 84% | 0.835 | S | S | * | * | trans | -93.4 | 131.9 | 158.5 | -84.4 | 168.1 | 0 | 0 | 0 | 109.8 | ||||
| 344 | Q | 59 | Low | 57.1 | Low | 187 Ų | 187 | 150.9 Ų | 150.9 | 87% | 0.874 | 85% | 0.846 | S | S | * | * | trans | -113.8 | 131.8 | -173.2 | -166.3 | 168.5 | 9.1 | 0 | 0 | 110.8 | ||||
| 345 | M | 54.1 | Low | 57.5 | Low | 185 Ų | 185 | 152.5 Ų | 152.5 | 91% | 0.911 | 85% | 0.85 | S | S | * | * | trans | -66.1 | 150.5 | -179.6 | -67.6 | 174.5 | 166.6 | 0 | 0 | 112.9 | ||||
| 346 | K | 57.9 | Low | 57.9 | Low | 210 Ų | 210 | 154.2 Ų | 154.2 | 91% | 0.913 | 85% | 0.854 | S | S | * | * | trans | -142.7 | 161.8 | 134.1 | -126.6 | 172.1 | -177.1 | 178.2 | 0 | 110.5 | ||||
| 347 | A | 56.4 | Low | 58.4 | Low | 172 Ų | 172 | 158.4 Ų | 158.4 | 100% | 1.421 | 86% | 0.863 | S | S | * | * | trans | -76.2 | 0 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 |
Retrieved 347 of 347 residues in 151.6 ms
(Link to these results)