| 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 | 43.4 | Very low | 46.7 | Very low | 239 Ų | 239 | 169.1 Ų | 169.1 | 100% | 1.177 | 87% | 0.869 | S | S | * | * | 0 | 149.4 | 0 | -62.9 | -163 | -176.9 | 0 | 0 | 106.4 | |||||
| 2 | P | 43.3 | Very low | 46.8 | Very low | 125 Ų | 125 | 166.8 Ų | 166.8 | 81% | 0.812 | 87% | 0.869 | S | S | * | * | cis | -117.8 | -154.4 | -36.2 | 22 | 3.4 | 0 | 0 | 0 | 108.5 | ||||
| 3 | D | 44 | Very low | 46.2 | Very low | 144 Ų | 144 | 169.7 Ų | 169.7 | 77% | 0.77 | 87% | 0.87 | S | S | * | * | trans | 92.3 | 98.7 | 157.6 | -133.6 | 3.6 | 0 | 0 | 0 | 118.6 | ||||
| 4 | Y | 51.1 | Low | 45.5 | Very low | 237 Ų | 237 | 170.9 Ų | 170.9 | 93% | 0.929 | 87% | 0.871 | S | S | * | * | trans | -124.4 | 46.1 | 179.1 | -90.6 | -81.3 | 0 | 0 | 0 | 111.9 | ||||
| 5 | L | 51.9 | Low | 45.3 | Very low | 161 Ų | 161 | 170.3 Ų | 170.3 | 84% | 0.843 | 87% | 0.87 | S | S | * | * | trans | -133.1 | 83.4 | 164.9 | -97.2 | 145.6 | 0 | 0 | 0 | 109.5 | ||||
| 6 | G | 43.3 | Very low | 45 | Very low | 67 Ų | 67 | 170.6 Ų | 170.6 | 69% | 0.691 | 87% | 0.867 | S | S | * | * | trans | -87 | 107.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D8 | G6-D8 PolarHBondContact O-N 3.38Š| ||
| 7 | A | 47.3 | Very low | 45.2 | Very low | 99 Ų | 99 | 172 Ų | 172 | 82% | 0.818 | 87% | 0.866 | S | S | * | * | S | Bend | trans | 34.1 | 21.4 | 148.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | Q9 | A7-Q9 PolarHBondContact O-N 2.71Š|
| 8 | D | 44.6 | Very low | 45.4 | Very low | 166 Ų | 166 | 170.4 Ų | 170.4 | 89% | 0.888 | 86% | 0.86 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 20.8 | 171.5 | -115.5 | -3.1 | 0 | 0 | 0 | 113.3 | G6 | G6-D8 PolarHBondContact O-N 3.38Š|
| 9 | Q | 50.5 | Low | 45.9 | Very low | 184 Ų | 184 | 169.8 Ų | 169.8 | 86% | 0.86 | 86% | 0.86 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.5 | 30 | -175.5 | -72.2 | -150.9 | -7.3 | 0 | 0 | 114.8 | A7 | A7-Q9 PolarHBondContact O-N 2.71Š|
| 10 | R | 51.4 | Low | 46.6 | Very low | 236 Ų | 236 | 170.9 Ų | 170.9 | 89% | 0.891 | 86% | 0.858 | S | S | * | * | trans | -145.1 | 96.5 | 161.1 | -71.8 | -171.2 | -178.4 | 166.1 | 0.5 | 111.5 | ||||
| 11 | K | 43.3 | Very low | 47.1 | Very low | 202 Ų | 202 | 168.4 Ų | 168.4 | 88% | 0.878 | 85% | 0.854 | S | S | * | * | trans | -166.8 | 105.5 | 146.7 | -106.5 | 166.6 | -172.9 | -176.5 | 0 | 110 | ||||
| 12 | T | 47.8 | Very low | 48.1 | Very low | 142 Ų | 142 | 165.2 Ų | 165.2 | 87% | 0.871 | 84% | 0.84 | S | S | * | * | trans | -46.3 | 127.5 | 155 | 36 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 13 | K | 38.2 | Very low | 49.4 | Very low | 204 Ų | 204 | 169.8 Ų | 169.8 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | trans | -115.9 | 121.7 | 164.6 | -100.3 | -175.5 | 171.2 | -175.7 | 0 | 108.1 | ||||
| 14 | E | 36.9 | Very low | 50.6 | Low | 187 Ų | 187 | 166.8 Ų | 166.8 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -58.9 | 144.8 | -176.3 | -68.6 | 160.5 | 144.2 | 0 | 0 | 111.9 | E16 | E14-E16 PolarHBondContact O-N 3.18Š| ||
| 15 | D | 42.6 | Very low | 51.7 | Low | 161 Ų | 161 | 160.5 Ų | 160.5 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -65.2 | 108.5 | 171.1 | -72.9 | -56.3 | 0 | 0 | 0 | 110.6 | ||||
| 16 | E | 40.8 | Very low | 52.9 | Low | 175 Ų | 175 | 157.7 Ų | 157.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -109.7 | 99.8 | 154.2 | -79.7 | -174.2 | 156.7 | 0 | 0 | 108.1 | E14 D18 | E14-E16 PolarHBondContact O-N 3.18Å; E16-D18 PolarHBondContact O-N 2.97Å | ||
| 17 | K | 48.3 | Very low | 54.4 | Low | 195 Ų | 195 | 162.8 Ų | 162.8 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | -75.3 | 99.5 | 164.2 | -79.4 | -178.7 | 178.1 | 176.3 | 0 | 108 | D19 | K17-D19 PolarHBondContact O-N 2.88Š| ||
| 18 | D | 48.4 | Very low | 55.6 | Low | 143 Ų | 143 | 160.3 Ų | 160.3 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | -71.6 | 108 | 163.9 | -83.3 | -31.9 | 0 | 0 | 0 | 109.9 | E16 K20 | E16-D18 PolarHBondContact O-N 2.97Å; D18-K20 PolarHBondContact O-N 3.34Å; D18-K20 VanDerWaalsContact O-N 3.1Å | ||
| 19 | D | 55.9 | Low | 56.9 | Low | 160 Ų | 160 | 155.9 Ų | 155.9 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -62.3 | 103.6 | 166.5 | -82.8 | -35 | 0 | 0 | 0 | 109.7 | K17 | K17-D19 PolarHBondContact O-N 2.88Š| ||
| 20 | K | 59.5 | Low | 57.9 | Low | 190 Ų | 190 | 150.3 Ų | 150.3 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | trans | -68.2 | 132 | 171.6 | -69.4 | -179.4 | -178.5 | 176.7 | 0 | 109.6 | D18 I22 | D18-K20 PolarHBondContact O-N 3.34Å; D18-K20 VanDerWaalsContact O-N 3.1Å; K20-I22 PolarHBondContact O-N 3.27Å | ||
| 21 | P | 57.6 | Low | 58.7 | Low | 119 Ų | 119 | 141.6 Ų | 141.6 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | -66.3 | 130.1 | -179.9 | 26.5 | -32.8 | 0 | 0 | 0 | 110.6 | R23 | P21-R23 PolarHBondContact O-N 3.3Å; P21-R23 VanDerWaalsContact O-N 3.12Å | ||
| 22 | I | 63.7 | Low | 59.9 | Low | 172 Ų | 172 | 136.9 Ų | 136.9 | 88% | 0.882 | 71% | 0.708 | S | S | * | * | trans | -66.5 | 110 | 174.8 | -58.5 | 167.1 | 0 | 0 | 0 | 107.8 | K20 A24 | K20-I22 PolarHBondContact O-N 3.27Å; I22-A24 PolarHBondContact O-N 3.17Å | ||
| 23 | R | 70.4 | Confident | 60.9 | Low | 221 Ų | 221 | 135.1 Ų | 135.1 | 83% | 0.834 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 118.4 | 175.7 | -166 | 174.4 | -179.8 | 176.3 | -1.6 | 108.8 | P21 | P21-R23 PolarHBondContact O-N 3.3Å; P21-R23 VanDerWaalsContact O-N 3.12Å |
| 24 | A | 69.9 | Low | 62.3 | Low | 82 Ų | 82 | 132.3 Ų | 132.3 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 139.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | I22 | I22-A24 PolarHBondContact O-N 3.17Š|
| 25 | L | 73.3 | Confident | 63.7 | Low | 104 Ų | 104 | 127.4 Ų | 127.4 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -70.7 | 135.1 | 179.9 | -71.6 | 155.6 | 0 | 0 | 0 | 110.1 | D29 I30 L33 | L25-D29 HydrophobicContact CB-CB 4.24Å; L25-D29 HydrophobicContact CD2-CB 3.73Å; L25-I30 HydrophobicContact CB-CG1 4.03Å; L25-L33 HydrophobicContact CD1-CD1 3.99Å; L25-L33 HydrophobicContact CD2-CD1 4.19Å |
| 26 | D | 77.8 | Confident | 64.7 | Low | 102 Ų | 102 | 128.7 Ų | 128.7 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -75.1 | 158.2 | 175.2 | -70.1 | -31.8 | 0 | 0 | 0 | 110.4 | G28 D29 I30 | D26-G28 PolarHBondContact O-N 3.35Å; D26-G28 VanDerWaalsContact O-N 3.07Å; D26-D29 PolarHBondContact N-OD2 3.03Å; D26-D29 WeakPolarHBondContact O-CB 3.42Å; D26-D29 PolarHBondContact O-N 3.48Å; D26-I30 WeakPolarHBondContact O-CG1 3.38Å; D26-I30 PolarHBondContact O-N 3.36Å |
| 27 | E | 73.3 | Confident | 66 | Low | 175 Ų | 175 | 124.3 Ų | 124.3 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -55.3 | -31 | -179.1 | -71.9 | -174.2 | 161.7 | 0 | 0 | 113.1 | A31 | E27-A31 PolarHBondContact O-N 2.96Å |
| 28 | G | 72.9 | Confident | 67.1 | Low | 46 Ų | 46 | 119.9 Ų | 119.9 | 47% | 0.474 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -68.1 | -39.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | D26 I30 A31 L32 | D26-G28 PolarHBondContact O-N 3.35Å; D26-G28 VanDerWaalsContact O-N 3.07Å; G28-I30 VanDerWaalsContact C-N 3.34Å; G28-A31 PolarHBondContact O-N 3.44Å; G28-L32 PolarHBondContact O-N 3.34Å |
| 29 | D | 71.6 | Confident | 68.1 | Low | 73 Ų | 73 | 116.6 Ų | 116.6 | 39% | 0.39 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -69 | -37 | 176.9 | -62.5 | -33.9 | 0 | 0 | 0 | 110.7 | L25 D26 L32 L33 | L25-D29 HydrophobicContact CB-CB 4.24Å; L25-D29 HydrophobicContact CD2-CB 3.73Å; D26-D29 PolarHBondContact N-OD2 3.03Å; D26-D29 WeakPolarHBondContact O-CB 3.42Å; D26-D29 PolarHBondContact O-N 3.48Å; D29-L32 PolarHBondContact O-N 3.07Å; D29-L33 WeakPolarHBondContact O-CB 3.42Å; D29-L33 WeakPolarHBondContact O-CD1 3.33Å; D29-L33 WeakPolarHBondContact O-CG 3.32Å; D29-L33 PolarHBondContact O-N 3.16Å |
| 30 | I | 71.7 | Confident | 69.1 | Low | 68 Ų | 68 | 115.1 Ų | 115.1 | 35% | 0.349 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.7 | -39.1 | 174.7 | -61.9 | 168.9 | 0 | 0 | 0 | 110.9 | L25 D26 G28 K34 | L25-I30 HydrophobicContact CB-CG1 4.03Å; D26-I30 WeakPolarHBondContact O-CG1 3.38Å; D26-I30 PolarHBondContact O-N 3.36Å; G28-I30 VanDerWaalsContact C-N 3.34Å; I30-K34 HydrophobicContact CG2-CD 4.28Å; I30-K34 WeakPolarHBondContact O-CB 3.37Å; I30-K34 VanDerWaalsContact O-CG 3.28Å; I30-K34 WeakPolarHBondContact O-CG 3.46Å; I30-K34 PolarHBondContact O-N 3.26Å |
| 31 | A | 68.7 | Low | 70.2 | Confident | 53 Ų | 53 | 113.1 Ų | 113.1 | 44% | 0.438 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.4 | -43.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | E27 G28 K34 T35 | E27-A31 PolarHBondContact O-N 2.96Å; G28-A31 PolarHBondContact O-N 3.44Å; A31-K34 PolarHBondContact O-N 3.45Å; A31-T35 PolarHBondContact O-N 3.28Å; A31-T35 PolarHBondContact O-OG1 3.28Å |
| 32 | L | 69.2 | Low | 71.3 | Confident | 103 Ų | 103 | 108.7 Ų | 108.7 | 54% | 0.539 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.9 | -44.8 | 174.8 | -99.6 | 154.4 | 0 | 0 | 0 | 112 | G28 D29 K34 T35 Y36 | G28-L32 PolarHBondContact O-N 3.34Å; D29-L32 PolarHBondContact O-N 3.07Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 3Å; L32-T35 WeakPolarHBondContact CA-OG1 3.12Å; L32-T35 PolarHBondContact O-N 3.06Å; L32-T35 PolarHBondContact O-OG1 3.49Å; L32-Y36 PolarHBondContact O-N 3.12Å |
| 33 | L | 69.1 | Low | 72.2 | Confident | 105 Ų | 105 | 109.6 Ų | 109.6 | 55% | 0.55 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.9 | -35.7 | 175.1 | -78.5 | 162.5 | 0 | 0 | 0 | 112.6 | L25 D29 Y36 | L25-L33 HydrophobicContact CD1-CD1 3.99Å; L25-L33 HydrophobicContact CD2-CD1 4.19Å; D29-L33 WeakPolarHBondContact O-CB 3.42Å; D29-L33 WeakPolarHBondContact O-CD1 3.33Å; D29-L33 WeakPolarHBondContact O-CG 3.32Å; D29-L33 PolarHBondContact O-N 3.16Å; L33-Y36 PolarHBondContact O-N 3.15Å |
| 34 | K | 67.6 | Low | 72.9 | Confident | 144 Ų | 144 | 104.4 Ų | 104.4 | 63% | 0.626 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.9 | -30.5 | 175.2 | -77.5 | 174 | -179.3 | 177.4 | 0 | 113.3 | I30 A31 L32 Q38 | I30-K34 HydrophobicContact CG2-CD 4.28Å; I30-K34 WeakPolarHBondContact O-CB 3.37Å; I30-K34 VanDerWaalsContact O-CG 3.28Å; I30-K34 WeakPolarHBondContact O-CG 3.46Å; I30-K34 PolarHBondContact O-N 3.26Å; A31-K34 PolarHBondContact O-N 3.45Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 3Å; K34-Q38 VanDerWaalsContact O-CD 3.24Å; K34-Q38 PolarHBondContact O-NE2 3.36Å; K34-Q38 VanDerWaalsContact O-NE2 3.1Å |
| 35 | T | 65.2 | Low | 73.7 | Confident | 84 Ų | 84 | 105 Ų | 105 | 52% | 0.515 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -82.4 | -20.9 | 174.5 | 48.3 | 0 | 0 | 0 | 0 | 113.3 | A31 L32 G37 Q38 | A31-T35 PolarHBondContact O-N 3.28Å; A31-T35 PolarHBondContact O-OG1 3.28Å; L32-T35 WeakPolarHBondContact CA-OG1 3.12Å; L32-T35 PolarHBondContact O-N 3.06Å; L32-T35 PolarHBondContact O-OG1 3.49Å; T35-G37 PolarHBondContact O-N 3.14Å; T35-Q38 PolarHBondContact O-N 3.22Å |
| 36 | Y | 65.1 | Low | 74.4 | Confident | 189 Ų | 189 | 105 Ų | 105 | 74% | 0.741 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 116.1 | 178.7 | -116.7 | -96.7 | 0 | 0 | 0 | 110.4 | L32 L33 | L32-Y36 PolarHBondContact O-N 3.12Å; L33-Y36 PolarHBondContact O-N 3.15Å |
| 37 | G | 66.9 | Low | 75 | Confident | 83 Ų | 83 | 104.9 Ų | 104.9 | 86% | 0.856 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | -2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | T35 | T35-G37 PolarHBondContact O-N 3.14Š|
| 38 | Q | 71 | Confident | 75.8 | Confident | 101 Ų | 101 | 100.5 Ų | 100.5 | 47% | 0.472 | 53% | 0.532 | S | S | . | . | trans | -87.9 | 129.6 | 171.8 | -68.2 | -175.2 | 3.7 | 0 | 0 | 110.5 | K34 T35 | K34-Q38 VanDerWaalsContact O-CD 3.24Å; K34-Q38 PolarHBondContact O-NE2 3.36Å; K34-Q38 VanDerWaalsContact O-NE2 3.1Å; T35-Q38 PolarHBondContact O-N 3.22Å | ||
| 39 | S | 70.3 | Confident | 76.8 | Confident | 75 Ų | 75 | 103.4 Ų | 103.4 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | trans | -67.7 | 154 | 174.1 | 69.6 | 0 | 0 | 0 | 0 | 110.7 | Y41 S42 | S39-Y41 PolarHBondContact O-N 3.22Å; S39-S42 VanDerWaalsContact O-CB 3.25Å; S39-S42 WeakPolarHBondContact O-CB 3.23Å; S39-S42 PolarHBondContact O-N 2.82Å | ||
| 40 | T | 76.8 | Confident | 77.9 | Confident | 128 Ų | 128 | 104.1 Ų | 104.1 | 79% | 0.785 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -28 | 179.1 | 48.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 41 | Y | 81.7 | Confident | 78.9 | Confident | 149 Ų | 149 | 105.1 Ų | 105.1 | 58% | 0.584 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -9.5 | 179.4 | -62.5 | -75.6 | 0 | 0 | 0 | 114.4 | S39 R43 Q44 I45 | S39-Y41 PolarHBondContact O-N 3.22Å; Y41-R43 PolarHBondContact O-N 2.96Å; Y41-R43 VanDerWaalsContact O-N 3.17Å; Y41-Q44 PolarHBondContact O-N 3.13Å; Y41-I45 WeakPolarHBondContact O-CG1 3.46Å; Y41-I45 PolarHBondContact O-N 3.48Å |
| 42 | S | 82.1 | Confident | 80.1 | Confident | 25 Ų | 25 | 107 Ų | 107 | 18% | 0.175 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -57.7 | -35.7 | -174.7 | -175.9 | 0 | 0 | 0 | 0 | 112.9 | S39 K46 | S39-S42 VanDerWaalsContact O-CB 3.25Å; S39-S42 WeakPolarHBondContact O-CB 3.23Å; S39-S42 PolarHBondContact O-N 2.82Å; S42-K46 WeakPolarHBondContact O-CG 3.47Å; S42-K46 PolarHBondContact O-N 3.24Å; S42-K46 VanDerWaalsContact O-N 3.13Å |
| 43 | R | 80.9 | Confident | 81.3 | Confident | 191 Ų | 191 | 107.5 Ų | 107.5 | 72% | 0.721 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.3 | -39.8 | 177.1 | -171.8 | 176 | -179.8 | 171.1 | 1 | 112.9 | Y41 Q47 | Y41-R43 PolarHBondContact O-N 2.96Å; Y41-R43 VanDerWaalsContact O-N 3.17Å; R43-Q47 WeakPolarHBondContact O-CG 3.41Å; R43-Q47 PolarHBondContact O-N 2.96Å; R43-Q47 VanDerWaalsContact O-N 3.11Å |
| 44 | Q | 85.4 | Confident | 82.5 | Confident | 113 Ų | 113 | 108 Ų | 108 | 53% | 0.528 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.8 | -38.9 | 177.8 | -69.9 | -179.7 | -14.8 | 0 | 0 | 111 | Y41 Q47 V48 | Y41-Q44 PolarHBondContact O-N 3.13Å; Q44-Q47 PolarHBondContact O-N 2.99Å; Q44-V48 WeakPolarHBondContact O-CG2 3.42Å; Q44-V48 PolarHBondContact O-N 2.91Å |
| 45 | I | 86.7 | Confident | 83.6 | Confident | 93 Ų | 93 | 106 Ų | 106 | 48% | 0.477 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 176.6 | -65.6 | 168.8 | 0 | 0 | 0 | 110.6 | Y41 Q47 V48 E49 | Y41-I45 WeakPolarHBondContact O-CG1 3.46Å; Y41-I45 PolarHBondContact O-N 3.48Å; I45-Q47 VanDerWaalsContact C-N 3.34Å; I45-Q47 PolarHBondContact O-N 3.44Å; I45-V48 PolarHBondContact O-N 3.37Å; I45-E49 WeakPolarHBondContact O-CG 3.39Å; I45-E49 PolarHBondContact O-N 3.47Å |
| 46 | K | 87.8 | Confident | 84.8 | Confident | 104 Ų | 104 | 106.3 Ų | 106.3 | 45% | 0.452 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 176.5 | -75.6 | -179.2 | 179.2 | 177.6 | 0 | 113 | S42 V48 E49 D50 | S42-K46 WeakPolarHBondContact O-CG 3.47Å; S42-K46 PolarHBondContact O-N 3.24Å; S42-K46 VanDerWaalsContact O-N 3.13Å; K46-V48 VanDerWaalsContact C-N 3.34Å; K46-V48 PolarHBondContact O-N 3.18Å; K46-E49 PolarHBondContact O-N 3.06Å; K46-D50 PolarHBondContact O-N 3.31Å |
| 47 | Q | 90.4 | Very high | 86 | Confident | 100 Ų | 100 | 103.8 Ų | 103.8 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 174.7 | -75.8 | 174.7 | -24.7 | 0 | 0 | 111.9 | R43 Q44 I45 D50 D51 | R43-Q47 WeakPolarHBondContact O-CG 3.41Å; R43-Q47 PolarHBondContact O-N 2.96Å; R43-Q47 VanDerWaalsContact O-N 3.11Å; Q44-Q47 PolarHBondContact O-N 2.99Å; I45-Q47 VanDerWaalsContact C-N 3.34Å; I45-Q47 PolarHBondContact O-N 3.44Å; Q47-D50 PolarHBondContact O-N 3.13Å; Q47-D51 PolarHBondContact O-N 3.43Å |
| 48 | V | 91.5 | Very high | 87 | Confident | 84 Ų | 84 | 105.9 Ų | 105.9 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66 | -38.2 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | Q44 I45 K46 D51 I52 | Q44-V48 WeakPolarHBondContact O-CG2 3.42Å; Q44-V48 PolarHBondContact O-N 2.91Å; I45-V48 PolarHBondContact O-N 3.37Å; K46-V48 VanDerWaalsContact C-N 3.34Å; K46-V48 PolarHBondContact O-N 3.18Å; V48-D51 PolarHBondContact O-N 3.13Å; V48-I52 HydrophobicContact CG1-CD1 3.9Å; V48-I52 HydrophobicContact CG1-CG1 4.43Å; V48-I52 WeakPolarHBondContact O-CB 3.37Å; V48-I52 WeakPolarHBondContact O-CG1 3.13Å; V48-I52 PolarHBondContact O-N 2.81Å |
| 49 | E | 93.4 | Very high | 87.7 | Confident | 107 Ų | 107 | 105.6 Ų | 105.6 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 174.2 | -74.4 | 177 | 169.3 | 0 | 0 | 112 | I45 K46 I52 Q53 | I45-E49 WeakPolarHBondContact O-CG 3.39Å; I45-E49 PolarHBondContact O-N 3.47Å; K46-E49 PolarHBondContact O-N 3.06Å; E49-I52 PolarHBondContact O-N 2.96Å; E49-Q53 WeakPolarHBondContact O-CG 3.39Å; E49-Q53 PolarHBondContact O-N 3.39Å |
| 50 | D | 94 | Very high | 88.4 | Confident | 88 Ų | 88 | 107 Ų | 107 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 176 | -70.9 | -26.4 | 0 | 0 | 0 | 111.4 | K46 Q47 Q53 Q54 | K46-D50 PolarHBondContact O-N 3.31Å; Q47-D50 PolarHBondContact O-N 3.13Å; D50-Q53 PolarHBondContact O-N 3.45Å; D50-Q54 WeakPolarHBondContact O-CG 3.24Å; D50-Q54 PolarHBondContact O-N 2.75Å |
| 51 | D | 94 | Very high | 88.7 | Confident | 89 Ų | 89 | 107.4 Ų | 107.4 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 176.4 | -76.1 | -13.7 | 0 | 0 | 0 | 111.8 | Q47 V48 Q53 Q54 L55 | Q47-D51 PolarHBondContact O-N 3.43Å; V48-D51 PolarHBondContact O-N 3.13Å; D51-Q53 VanDerWaalsContact C-N 3.32Å; D51-Q53 PolarHBondContact O-N 2.81Å; D51-Q54 PolarHBondContact O-N 2.97Å; D51-L55 WeakPolarHBondContact O-CB 3.29Å; D51-L55 WeakPolarHBondContact O-CG 3.48Å; D51-L55 PolarHBondContact O-N 3.01Å |
| 52 | I | 94.1 | Very high | 88.4 | Confident | 91 Ų | 91 | 105.7 Ų | 105.7 | 47% | 0.467 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 174.9 | -71.6 | 165.3 | 0 | 0 | 0 | 110.3 | V48 E49 L55 L56 | V48-I52 HydrophobicContact CG1-CD1 3.9Å; V48-I52 HydrophobicContact CG1-CG1 4.43Å; V48-I52 WeakPolarHBondContact O-CB 3.37Å; V48-I52 WeakPolarHBondContact O-CG1 3.13Å; V48-I52 PolarHBondContact O-N 2.81Å; E49-I52 PolarHBondContact O-N 2.96Å; I52-L55 PolarHBondContact O-N 2.67Å; I52-L56 HydrophobicContact CG2-CD1 4.16Å; I52-L56 WeakPolarHBondContact O-CB 3.5Å; I52-L56 PolarHBondContact O-N 2.81Å |
| 53 | Q | 93.9 | Very high | 87.9 | Confident | 114 Ų | 114 | 108.7 Ų | 108.7 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 178 | -72.7 | -173.2 | 14.5 | 0 | 0 | 112.6 | E49 D50 D51 L56 K57 | E49-Q53 WeakPolarHBondContact O-CG 3.39Å; E49-Q53 PolarHBondContact O-N 3.39Å; D50-Q53 PolarHBondContact O-N 3.45Å; D51-Q53 VanDerWaalsContact C-N 3.32Å; D51-Q53 PolarHBondContact O-N 2.81Å; Q53-L56 PolarHBondContact O-N 3Å; Q53-K57 WeakPolarHBondContact O-CG 3.31Å; Q53-K57 PolarHBondContact O-N 3.04Å |
| 54 | Q | 94.4 | Very high | 87.1 | Confident | 117 Ų | 117 | 102.8 Ų | 102.8 | 55% | 0.547 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 175.4 | -72.4 | 179.9 | 24.9 | 0 | 0 | 112.1 | D50 D51 K57 K58 | D50-Q54 WeakPolarHBondContact O-CG 3.24Å; D50-Q54 PolarHBondContact O-N 2.75Å; D51-Q54 PolarHBondContact O-N 2.97Å; Q54-K57 PolarHBondContact O-N 2.66Å; Q54-K58 PolarHBondContact O-N 2.81Å |
| 55 | L | 90.8 | Very high | 86.1 | Confident | 102 Ų | 102 | 103 Ų | 103 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 174.6 | -74 | 170.8 | 0 | 0 | 0 | 111.5 | D51 I52 K57 K58 I59 | D51-L55 WeakPolarHBondContact O-CB 3.29Å; D51-L55 WeakPolarHBondContact O-CG 3.48Å; D51-L55 PolarHBondContact O-N 3.01Å; I52-L55 PolarHBondContact O-N 2.67Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 3.21Å; L55-K58 PolarHBondContact O-N 3.3Å; L55-I59 VanDerWaalsContact O-CG1 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.48Å; L55-I59 PolarHBondContact O-N 2.97Å |
| 56 | L | 90.5 | Very high | 84.8 | Confident | 90 Ų | 90 | 107.5 Ų | 107.5 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 173.9 | -97.2 | 160.8 | 0 | 0 | 0 | 112.3 | I52 Q53 I59 N60 | I52-L56 HydrophobicContact CG2-CD1 4.16Å; I52-L56 WeakPolarHBondContact O-CB 3.5Å; I52-L56 PolarHBondContact O-N 2.81Å; Q53-L56 PolarHBondContact O-N 3Å; L56-I59 PolarHBondContact O-N 3.22Å; L56-N60 WeakPolarHBondContact O-CB 3.24Å; L56-N60 PolarHBondContact O-N 3.15Å; L56-N60 PolarHBondContact O-ND2 3.07Å |
| 57 | K | 90.2 | Very high | 83.5 | Confident | 135 Ų | 135 | 110.5 Ų | 110.5 | 59% | 0.587 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62 | -45.7 | 175.1 | -74.2 | 175.8 | -177.5 | 176.2 | 0 | 111.7 | Q53 Q54 L55 I59 N60 E61 | Q53-K57 WeakPolarHBondContact O-CG 3.31Å; Q53-K57 PolarHBondContact O-N 3.04Å; Q54-K57 PolarHBondContact O-N 2.66Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 3.21Å; K57-I59 PolarHBondContact O-N 3.2Å; K57-N60 PolarHBondContact O-N 3.39Å; K57-E61 WeakPolarHBondContact O-CG 3.45Å; K57-E61 PolarHBondContact O-N 2.83Å |
| 58 | K | 87.4 | Confident | 81.8 | Confident | 128 Ų | 128 | 109.3 Ų | 109.3 | 56% | 0.557 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.7 | -42 | 175.3 | -77.5 | -177.7 | 177.4 | 175.5 | 0 | 112.6 | Q54 L55 N60 E61 L62 | Q54-K58 PolarHBondContact O-N 2.81Å; L55-K58 PolarHBondContact O-N 3.3Å; K58-N60 VanDerWaalsContact C-N 3.35Å; K58-E61 PolarHBondContact O-N 2.87Å; K58-L62 WeakPolarHBondContact O-CB 3.47Å; K58-L62 VanDerWaalsContact O-CG 3.3Å; K58-L62 WeakPolarHBondContact O-CG 3.22Å; K58-L62 PolarHBondContact O-N 3.45Å |
| 59 | I | 85.6 | Confident | 80 | Confident | 94 Ų | 94 | 113.2 Ų | 113.2 | 48% | 0.482 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.8 | -41.2 | 177.2 | -68.4 | 165 | 0 | 0 | 0 | 110.4 | L55 L56 K57 L62 T63 | L55-I59 VanDerWaalsContact O-CG1 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.48Å; L55-I59 PolarHBondContact O-N 2.97Å; L56-I59 PolarHBondContact O-N 3.22Å; K57-I59 PolarHBondContact O-N 3.2Å; I59-L62 PolarHBondContact O-N 3.41Å; I59-T63 HydrophobicContact CG2-CG2 4.27Å; I59-T63 WeakPolarHBondContact O-CB 3.39Å; I59-T63 WeakPolarHBondContact O-CG2 3.25Å; I59-T63 PolarHBondContact O-N 2.9Å; I59-T63 PolarHBondContact O-OG1 2.99Å |
| 60 | N | 84.2 | Confident | 78.4 | Confident | 104 Ų | 104 | 112.6 Ų | 112.6 | 56% | 0.556 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.8 | -37.5 | 176.6 | -76.2 | -18.2 | 0 | 0 | 0 | 112.6 | L56 K57 K58 T63 G64 | L56-N60 WeakPolarHBondContact O-CB 3.24Å; L56-N60 PolarHBondContact O-N 3.15Å; L56-N60 PolarHBondContact O-ND2 3.07Å; K57-N60 PolarHBondContact O-N 3.39Å; K58-N60 VanDerWaalsContact C-N 3.35Å; N60-T63 VanDerWaalsContact CA-OG1 3.26Å; N60-T63 WeakPolarHBondContact CA-OG1 3.22Å; N60-T63 PolarHBondContact O-OG1 3.33Å; N60-G64 PolarHBondContact O-N 3.3Å |
| 61 | E | 83.3 | Confident | 76.5 | Confident | 137 Ų | 137 | 112 Ų | 112 | 64% | 0.64 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.4 | -45.2 | 173.5 | -74.7 | 170.8 | -175.7 | 0 | 0 | 111.3 | K57 K58 G64 I65 | K57-E61 WeakPolarHBondContact O-CG 3.45Å; K57-E61 PolarHBondContact O-N 2.83Å; K58-E61 PolarHBondContact O-N 2.87Å; E61-G64 PolarHBondContact O-N 2.89Å; E61-I65 PolarHBondContact O-N 3.28Å |
| 62 | L | 75.3 | Confident | 74.9 | Confident | 114 Ų | 114 | 112.3 Ų | 112.3 | 60% | 0.597 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.5 | -36.1 | 178.5 | -71.8 | 168 | 0 | 0 | 0 | 113 | K58 I59 G64 I65 | K58-L62 WeakPolarHBondContact O-CB 3.47Å; K58-L62 VanDerWaalsContact O-CG 3.3Å; K58-L62 WeakPolarHBondContact O-CG 3.22Å; K58-L62 PolarHBondContact O-N 3.45Å; I59-L62 PolarHBondContact O-N 3.41Å; L62-G64 VanDerWaalsContact C-N 3.26Å; L62-G64 PolarHBondContact O-N 3.49Å; L62-I65 HydrophobicContact CD2-CD1 4.49Å; L62-I65 CarbonylContact O-C 3.4Å; L62-I65 WeakPolarHBondContact O-CA 3.49Å; L62-I65 WeakPolarHBondContact O-CB 3.44Å; L62-I65 PolarHBondContact O-N 3.44Å |
| 63 | T | 72.2 | Confident | 73.2 | Confident | 88 Ų | 88 | 110.1 Ų | 110.1 | 54% | 0.54 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70 | -23.9 | 176.2 | 42 | 0 | 0 | 0 | 0 | 112.7 | I59 N60 I65 | I59-T63 HydrophobicContact CG2-CG2 4.27Å; I59-T63 WeakPolarHBondContact O-CB 3.39Å; I59-T63 WeakPolarHBondContact O-CG2 3.25Å; I59-T63 PolarHBondContact O-N 2.9Å; I59-T63 PolarHBondContact O-OG1 2.99Å; N60-T63 VanDerWaalsContact CA-OG1 3.26Å; N60-T63 WeakPolarHBondContact CA-OG1 3.22Å; N60-T63 PolarHBondContact O-OG1 3.33Å; T63-I65 VanDerWaalsContact C-N 3.26Å |
| 64 | G | 64.6 | Low | 72 | Confident | 66 Ų | 66 | 108.5 Ų | 108.5 | 68% | 0.68 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.2 | -26.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113 | N60 E61 L62 K66 | N60-G64 PolarHBondContact O-N 3.3Å; E61-G64 PolarHBondContact O-N 2.89Å; L62-G64 VanDerWaalsContact C-N 3.26Å; L62-G64 PolarHBondContact O-N 3.49Å; G64-K66 VanDerWaalsContact C-N 3.35Å; G64-K66 PolarHBondContact O-N 3.11Å |
| 65 | I | 63.5 | Low | 70.6 | Confident | 117 Ų | 117 | 107.7 Ų | 107.7 | 60% | 0.6 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -86.7 | 79.9 | 171.9 | -54 | 166.5 | 0 | 0 | 0 | 107.4 | E61 L62 T63 E67 | E61-I65 PolarHBondContact O-N 3.28Å; L62-I65 HydrophobicContact CD2-CD1 4.49Å; L62-I65 CarbonylContact O-C 3.4Å; L62-I65 WeakPolarHBondContact O-CA 3.49Å; L62-I65 WeakPolarHBondContact O-CB 3.44Å; L62-I65 PolarHBondContact O-N 3.44Å; T63-I65 VanDerWaalsContact C-N 3.26Å; I65-E67 PolarHBondContact O-N 3.06Å |
| 66 | K | 60.3 | Low | 69.6 | Low | 188 Ų | 188 | 107.7 Ų | 107.7 | 82% | 0.817 | 62% | 0.617 | S | S | * | * | trans | -68.4 | 101.9 | 164 | -72 | -175 | 178.5 | -177.3 | 0 | 107.6 | G64 S68 | G64-K66 VanDerWaalsContact C-N 3.35Å; G64-K66 PolarHBondContact O-N 3.11Å; K66-S68 PolarHBondContact O-N 3.48Å; K66-S68 VanDerWaalsContact O-N 3.16Å | ||
| 67 | E | 58.8 | Low | 68.6 | Low | 167 Ų | 167 | 109.7 Ų | 109.7 | 78% | 0.78 | 63% | 0.628 | S | S | * | * | trans | -53.2 | 121.9 | 150.5 | -78.2 | -175.2 | 159.5 | 0 | 0 | 105.9 | I65 D69 | I65-E67 PolarHBondContact O-N 3.06Å; E67-D69 PolarHBondContact O-N 3.33Å | ||
| 68 | S | 56.2 | Low | 67.8 | Low | 75 Ų | 75 | 108.6 Ų | 108.6 | 52% | 0.524 | 62% | 0.62 | S | S | . | * | trans | -66.8 | 106.3 | 177.4 | 54.5 | 0 | 0 | 0 | 0 | 107.6 | K66 T70 G71 | K66-S68 PolarHBondContact O-N 3.48Å; K66-S68 VanDerWaalsContact O-N 3.16Å; S68-T70 WeakPolarHBondContact CB-OG1 3.38Å; S68-T70 PolarHBondContact O-N 3.01Å; S68-G71 PolarHBondContact O-N 3.38Å | ||
| 69 | D | 52.6 | Low | 67.3 | Low | 167 Ų | 167 | 107.4 Ų | 107.4 | 89% | 0.893 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -1.5 | 173.1 | -74.9 | -31.1 | 0 | 0 | 0 | 113.7 | E67 G71 | E67-D69 PolarHBondContact O-N 3.33Å; D69-G71 PolarHBondContact O-N 3Å |
| 70 | T | 59.8 | Low | 67 | Low | 94 Ų | 94 | 108.2 Ų | 108.2 | 58% | 0.577 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -8.7 | 176.9 | 54.7 | 0 | 0 | 0 | 0 | 113.4 | S68 L72 | S68-T70 WeakPolarHBondContact CB-OG1 3.38Å; S68-T70 PolarHBondContact O-N 3.01Å; T70-L72 PolarHBondContact O-N 3.5Å; T70-L72 VanDerWaalsContact O-N 3.1Å |
| 71 | G | 55.7 | Low | 66.7 | Low | 76 Ų | 76 | 106.3 Ų | 106.3 | 78% | 0.784 | 62% | 0.623 | S | S | * | * | trans | 63.5 | 14 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S68 D69 | S68-G71 PolarHBondContact O-N 3.38Å; D69-G71 PolarHBondContact O-N 3Å | ||
| 72 | L | 58.7 | Low | 66.4 | Low | 95 Ų | 95 | 101.5 Ų | 101.5 | 50% | 0.497 | 61% | 0.607 | S | S | . | * | trans | -79.4 | 135.8 | 177.1 | -63.5 | 170.6 | 0 | 0 | 0 | 108.8 | T70 W78 | T70-L72 PolarHBondContact O-N 3.5Å; T70-L72 VanDerWaalsContact O-N 3.1Å; L72-W78 HydrophobicContact CB-CZ2 4.13Å; L72-W78 HydrophobicContact CD1-CH2 4.34Å; L72-W78 HydrophobicContact CD1-CZ2 4.06Å; L72-W78 HydrophobicContact CD2-CZ2 4.06Å; L72-W78 HydrophobicContact CG-CZ2 4.29Å | ||
| 73 | A | 59.6 | Low | 66.5 | Low | 45 Ų | 45 | 100 Ų | 100 | 37% | 0.372 | 60% | 0.6 | S | S | . | * | trans | -55.1 | 145.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | L77 | A73-L77 HydrophobicContact CB-CB 4.07Å; A73-L77 HydrophobicContact CB-CD1 4.34Å | ||
| 74 | P | 68.1 | Low | 66.8 | Low | 80 Ų | 80 | 102.5 Ų | 102.5 | 52% | 0.519 | 60% | 0.603 | S | S | . | * | trans | -43.8 | 138.5 | 172 | -29.5 | 29.9 | 0 | 0 | 0 | 111.4 | A76 L77 | P74-A76 PolarHBondContact O-N 3.45Å; P74-L77 HydrophobicContact CB-CD1 4.29Å; P74-L77 HydrophobicContact CG-CD1 4.02Å; P74-L77 WeakPolarHBondContact O-CB 3.39Å; P74-L77 PolarHBondContact O-N 2.93Å | ||
| 75 | P | 65.8 | Low | 67.5 | Low | 100 Ų | 100 | 105.8 Ų | 105.8 | 65% | 0.649 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -55.3 | -19.6 | -176.8 | -28.3 | 34.7 | 0 | 0 | 0 | 114.9 | L77 W78 | P75-L77 VanDerWaalsContact C-N 3.31Å; P75-W78 PolarHBondContact O-N 3.49Å |
| 76 | A | 70.3 | Confident | 68 | Low | 102 Ų | 102 | 103.2 Ų | 103.2 | 84% | 0.843 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -71.2 | -21.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P74 | P74-A76 PolarHBondContact O-N 3.45Š|
| 77 | L | 69.4 | Low | 68.7 | Low | 131 Ų | 131 | 101.3 Ų | 101.3 | 69% | 0.686 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -91.1 | -5.5 | 175.6 | -74.8 | 157.1 | 0 | 0 | 0 | 112.2 | A73 P74 P75 | A73-L77 HydrophobicContact CB-CB 4.07Å; A73-L77 HydrophobicContact CB-CD1 4.34Å; P74-L77 HydrophobicContact CB-CD1 4.29Å; P74-L77 HydrophobicContact CG-CD1 4.02Å; P74-L77 WeakPolarHBondContact O-CB 3.39Å; P74-L77 PolarHBondContact O-N 2.93Å; P75-L77 VanDerWaalsContact C-N 3.31Å |
| 78 | W | 71.7 | Confident | 69.4 | Low | 112 Ų | 112 | 100.4 Ų | 100.4 | 42% | 0.424 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -80.1 | 129.3 | 173 | -75.4 | 7.7 | 0 | 0 | 0 | 110.1 | L72 P75 L80 | L72-W78 HydrophobicContact CB-CZ2 4.13Å; L72-W78 HydrophobicContact CD1-CH2 4.34Å; L72-W78 HydrophobicContact CD1-CZ2 4.06Å; L72-W78 HydrophobicContact CD2-CZ2 4.06Å; L72-W78 HydrophobicContact CG-CZ2 4.29Å; P75-W78 PolarHBondContact O-N 3.49Å; W78-L80 HydrophobicContact CB-CD2 4.33Å; W78-L80 HydrophobicContact CB-CG 4.4Å; W78-L80 HydrophobicContact CE3-CD2 4.3Å; W78-L80 PolarHBondContact O-N 3.37Å |
| 79 | D | 78.2 | Confident | 70 | Confident | 104 Ų | 104 | 101.1 Ų | 101.1 | 56% | 0.556 | 59% | 0.589 | S | S | * | * | trans | -78.2 | 78.6 | 167.8 | -168.7 | -13.6 | 0 | 0 | 0 | 109.4 | A81 A82 D83 | D79-A81 PolarHBondContact O-N 2.81Å; D79-A81 VanDerWaalsContact O-N 3.1Å; D79-A81 WeakPolarHBondContact OD1-CB 3.29Å; D79-A81 PolarHBondContact OD1-N 3.43Å; D79-A82 HydrophobicContact CB-CB 3.95Å; D79-A82 PolarHBondContact O-N 3.3Å; D79-A82 VanDerWaalsContact O-N 3.09Å; D79-A82 PolarHBondContact OD1-N 3.39Å; D79-D83 PolarHBondContact O-N 2.88Å | ||
| 80 | L | 77.8 | Confident | 70.8 | Confident | 111 Ų | 111 | 100 Ų | 100 | 58% | 0.581 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -58.3 | -22.7 | 178 | -65.1 | 170 | 0 | 0 | 0 | 112.4 | W78 K84 | W78-L80 HydrophobicContact CB-CD2 4.33Å; W78-L80 HydrophobicContact CB-CG 4.4Å; W78-L80 HydrophobicContact CE3-CD2 4.3Å; W78-L80 PolarHBondContact O-N 3.37Å; L80-K84 VanDerWaalsContact O-CB 3.29Å; L80-K84 WeakPolarHBondContact O-CB 3.37Å; L80-K84 PolarHBondContact O-N 3.44Å; L80-K84 VanDerWaalsContact O-N 3.15Å |
| 81 | A | 78.4 | Confident | 71.4 | Confident | 63 Ų | 63 | 101.4 Ų | 101.4 | 52% | 0.521 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -75.4 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | D79 K84 Q85 | D79-A81 PolarHBondContact O-N 2.81Å; D79-A81 VanDerWaalsContact O-N 3.1Å; D79-A81 WeakPolarHBondContact OD1-CB 3.29Å; D79-A81 PolarHBondContact OD1-N 3.43Å; A81-K84 PolarHBondContact O-N 3.12Å; A81-Q85 WeakPolarHBondContact O-CG 3.36Å; A81-Q85 PolarHBondContact O-N 3.49Å; A81-Q85 VanDerWaalsContact O-N 3.13Å |
| 82 | A | 78.5 | Confident | 72.6 | Confident | 37 Ų | 37 | 101.7 Ų | 101.7 | 31% | 0.306 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.2 | -47.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D79 K84 Q85 T86 | D79-A82 HydrophobicContact CB-CB 3.95Å; D79-A82 PolarHBondContact O-N 3.3Å; D79-A82 VanDerWaalsContact O-N 3.09Å; D79-A82 PolarHBondContact OD1-N 3.39Å; A82-K84 VanDerWaalsContact C-N 3.28Å; A82-K84 PolarHBondContact O-N 3.06Å; A82-Q85 WeakPolarHBondContact O-CB 3.44Å; A82-Q85 PolarHBondContact O-N 3.21Å; A82-T86 PolarHBondContact O-N 3.37Å; A82-T86 PolarHBondContact O-OG1 3.48Å |
| 83 | D | 77.1 | Confident | 73.8 | Confident | 83 Ų | 83 | 100.4 Ų | 100.4 | 44% | 0.444 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60 | -38.5 | 179.8 | -71.9 | -22.6 | 0 | 0 | 0 | 112.6 | D79 Q85 T86 L87 | D79-D83 PolarHBondContact O-N 2.88Å; D83-Q85 VanDerWaalsContact C-N 3.34Å; D83-T86 PolarHBondContact O-N 3.46Å; D83-L87 WeakPolarHBondContact O-CB 3.1Å; D83-L87 PolarHBondContact O-N 3.25Å |
| 84 | K | 78.4 | Confident | 75.1 | Confident | 139 Ų | 139 | 99.9 Ų | 99.9 | 60% | 0.604 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.2 | -34.3 | 176.7 | -169.5 | 174.7 | -177.4 | 179.2 | 0 | 112.2 | L80 A81 A82 Q88 | L80-K84 VanDerWaalsContact O-CB 3.29Å; L80-K84 WeakPolarHBondContact O-CB 3.37Å; L80-K84 PolarHBondContact O-N 3.44Å; L80-K84 VanDerWaalsContact O-N 3.15Å; A81-K84 PolarHBondContact O-N 3.12Å; A82-K84 VanDerWaalsContact C-N 3.28Å; A82-K84 PolarHBondContact O-N 3.06Å; K84-Q88 VanDerWaalsContact O-CG 3.3Å; K84-Q88 WeakPolarHBondContact O-CG 3.46Å; K84-Q88 PolarHBondContact O-N 3.25Å |
| 85 | Q | 78.1 | Confident | 76.1 | Confident | 135 Ų | 135 | 99.4 Ų | 99.4 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.1 | -41.2 | 173.1 | -71.3 | -179.5 | 8.1 | 0 | 0 | 111.3 | A81 A82 D83 Q88 S89 | A81-Q85 WeakPolarHBondContact O-CG 3.36Å; A81-Q85 PolarHBondContact O-N 3.49Å; A81-Q85 VanDerWaalsContact O-N 3.13Å; A82-Q85 WeakPolarHBondContact O-CB 3.44Å; A82-Q85 PolarHBondContact O-N 3.21Å; D83-Q85 VanDerWaalsContact C-N 3.34Å; Q85-Q88 PolarHBondContact O-N 3.28Å; Q85-S89 WeakPolarHBondContact O-CB 3.25Å; Q85-S89 PolarHBondContact O-N 3.08Å; Q85-S89 PolarHBondContact O-OG 3.09Å |
| 86 | T | 74.4 | Confident | 77.2 | Confident | 63 Ų | 63 | 94.8 Ų | 94.8 | 39% | 0.387 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 175.1 | -49.2 | 0 | 0 | 0 | 0 | 111 | A82 D83 Q88 S89 E90 | A82-T86 PolarHBondContact O-N 3.37Å; A82-T86 PolarHBondContact O-OG1 3.48Å; D83-T86 PolarHBondContact O-N 3.46Å; T86-Q88 PolarHBondContact O-N 2.97Å; T86-S89 WeakPolarHBondContact CA-OG 3.28Å; T86-S89 PolarHBondContact O-N 3.46Å; T86-S89 PolarHBondContact O-OG 3.33Å; T86-E90 HydrophobicContact CG2-CB 4.49Å; T86-E90 HydrophobicContact CG2-CG 4.45Å; T86-E90 PolarHBondContact O-N 3.2Å |
| 87 | L | 74.3 | Confident | 78 | Confident | 148 Ų | 148 | 96 Ų | 96 | 78% | 0.775 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.8 | -23.6 | 178.3 | -167.2 | 129 | 0 | 0 | 0 | 113.5 | D83 | D83-L87 WeakPolarHBondContact O-CB 3.1Å; D83-L87 PolarHBondContact O-N 3.25Å |
| 88 | Q | 73.7 | Confident | 78.9 | Confident | 149 Ų | 149 | 89.8 Ų | 89.8 | 70% | 0.696 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -88.2 | -29.9 | 175.6 | -73.8 | -178.4 | -1.2 | 0 | 0 | 113.4 | K84 Q85 T86 | K84-Q88 VanDerWaalsContact O-CG 3.3Å; K84-Q88 WeakPolarHBondContact O-CG 3.46Å; K84-Q88 PolarHBondContact O-N 3.25Å; Q85-Q88 PolarHBondContact O-N 3.28Å; T86-Q88 PolarHBondContact O-N 2.97Å |
| 89 | S | 70.1 | Confident | 79.6 | Confident | 90 Ų | 90 | 86.9 Ų | 86.9 | 63% | 0.629 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -94.4 | -37.1 | -175 | 53 | 0 | 0 | 0 | 0 | 113.3 | Q85 T86 | Q85-S89 WeakPolarHBondContact O-CB 3.25Å; Q85-S89 PolarHBondContact O-N 3.08Å; Q85-S89 PolarHBondContact O-OG 3.09Å; T86-S89 WeakPolarHBondContact CA-OG 3.28Å; T86-S89 PolarHBondContact O-N 3.46Å; T86-S89 PolarHBondContact O-OG 3.33Å |
| 90 | E | 68.8 | Low | 80 | Confident | 142 Ų | 142 | 87.7 Ų | 87.7 | 66% | 0.664 | 46% | 0.459 | S | S | * | . | trans | -102.8 | 109.4 | -178.2 | -67.4 | -169.6 | 163.9 | 0 | 0 | 111.1 | T86 | T86-E90 HydrophobicContact CG2-CB 4.49Å; T86-E90 HydrophobicContact CG2-CG 4.45Å; T86-E90 PolarHBondContact O-N 3.2Å | ||
| 91 | Q | 72.8 | Confident | 80.5 | Confident | 124 Ų | 124 | 84.4 Ų | 84.4 | 58% | 0.579 | 44% | 0.442 | S | S | * | . | trans | -75.1 | 145.4 | 170 | -65.8 | -173.6 | 1 | 0 | 0 | 110.2 | L93 | Q91-L93 PolarHBondContact O-N 3.47Š| ||
| 92 | P | 80 | Confident | 80.7 | Confident | 82 Ų | 82 | 83.9 Ų | 83.9 | 53% | 0.532 | 43% | 0.43 | S | S | . | . | trans | -68.5 | 104 | -177.3 | 27.6 | -35.1 | 0 | 0 | 0 | 111.2 | R144 | P92-R144 PolarHBondContact O-NE 3.26Š| ||
| 93 | L | 85.2 | Confident | 80.2 | Confident | 69 Ų | 69 | 86.9 Ų | 86.9 | 36% | 0.361 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 140.5 | 176.3 | -62.9 | 171.7 | 0 | 0 | 0 | 111.4 | Q91 H150 I151 | Q91-L93 PolarHBondContact O-N 3.47Å; L93-H150 HydrophobicContact CD1-CB 4.32Å; L93-H150 HydrophobicContact CD2-CB 3.77Å; L93-I151 HydrophobicContact CD1-CG2 3.74Å |
| 94 | Q | 86.1 | Confident | 79.5 | Confident | 34 Ų | 34 | 86.4 Ų | 86.4 | 16% | 0.159 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 135.3 | 170.9 | -168.7 | 171.2 | 24 | 0 | 0 | 109.9 | A96 V115 V142 R144 | Q94-A96 PolarHBondContact O-N 3.41Å; Q94-V115 HydrophobicContact CG-CG1 4.22Å; Q94-V142 PolarHBondContact N-O 3.29Å; Q94-V142 PolarHBondContact O-N 3.13Å; Q94-R144 HydrophobicContact CB-CG 4.23Å |
| 95 | V | 88.3 | Confident | 78.6 | Confident | 69 Ų | 69 | 87.9 Ų | 87.9 | 42% | 0.418 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 121.4 | 179.8 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | L153 | V95-L153 HydrophobicContact CB-CD1 4.41Å; V95-L153 HydrophobicContact CG1-CD1 4Å; V95-L153 HydrophobicContact CG2-CD1 3.91Å |
| 96 | A | 88.9 | Confident | 78.1 | Confident | 4 Ų | 4 | 84.8 Ų | 84.8 | 3% | 0.033 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 168.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q94 I113 V115 R139 V140 V142 | Q94-A96 PolarHBondContact O-N 3.41Å; A96-I113 HydrophobicContact CB-CB 4.11Å; A96-I113 HydrophobicContact CB-CD1 4.07Å; A96-V115 HydrophobicContact CB-CG2 3.91Å; A96-R139 WeakPolarHBondContact O-CA 3.32Å; A96-V140 HydrophobicContact CB-CG2 4.24Å; A96-V140 PolarHBondContact N-O 3.43Å; A96-V140 PolarHBondContact O-N 2.95Å; A96-V142 HydrophobicContact CB-CB 4.41Å; A96-V142 HydrophobicContact CB-CG2 3.76Å |
| 97 | R | 88.3 | Confident | 77.5 | Confident | 127 Ų | 127 | 90.9 Ų | 90.9 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.8 | 171.7 | -179.2 | -178.1 | -78.6 | 166.8 | -7 | 109.6 | T99 I113 N114 M138 | R97-T99 PolarHBondContact O-N 3.43Å; R97-I113 CarbonylContact O-C 3.53Å; R97-I113 WeakPolarHBondContact O-CA 3.48Å; R97-N114 PolarHBondContact N-O 3.33Å; R97-N114 PolarHBondContact O-N 2.91Å; R97-M138 WeakPolarHBondContact CA-O 3.44Å |
| 98 | C | 87.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 89.5 Ų | 89.5 | 0% | 0 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 124 | 169.3 | -170.8 | 0 | 0 | 0 | 0 | 108.7 | I134 G137 M138 | C98-I134 HydrophobicContact CB-CG2 4.38Å; C98-G137 WeakPolarHBondContact O-CA 3.41Å; C98-G137 PolarHBondContact O-N 3.32Å; C98-M138 PolarHBondContact N-O 3.35Å |
| 99 | T | 86.9 | Confident | 77.5 | Confident | 52 Ų | 52 | 83.4 Ų | 83.4 | 32% | 0.319 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -35.1 | -178.1 | 54.3 | 0 | 0 | 0 | 0 | 112.9 | R97 I112 N114 | R97-T99 PolarHBondContact O-N 3.43Å; T99-I112 PolarHBondContact N-O 3.33Å; T99-I112 WeakPolarHBondContact OG1-CB 3.35Å; T99-I112 VanDerWaalsContact OG1-CG2 3.29Å; T99-I112 WeakPolarHBondContact OG1-CG2 3.44Å; T99-I112 PolarHBondContact OG1-O 2.99Å; T99-N114 HydrophobicContact CG2-CB 3.65Å |
| 100 | K | 87.5 | Confident | 78.3 | Confident | 120 Ų | 120 | 83.3 Ų | 83.3 | 52% | 0.522 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 145 | -179.3 | -165 | 169.7 | -176.1 | 174.9 | 0 | 110.2 | I112 E136 | K100-I112 HydrophobicContact CB-CB 4.48Å; K100-I112 HydrophobicContact CB-CD1 4.26Å; K100-I112 HydrophobicContact CB-CG1 4.49Å; K100-I112 PolarHBondContact O-N 3.29Å; K100-E136 WeakPolarHBondContact CG-OE1 3.4Å |
| 101 | I | 86.7 | Confident | 79.2 | Confident | 42 Ų | 42 | 76.7 Ų | 76.7 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.3 | 171.9 | -52.7 | 170.4 | 0 | 0 | 0 | 108 | Y111 I134 E136 | I101-Y111 HydrophobicContact CB-CD1 4.39Å; I101-Y111 HydrophobicContact CB-CE1 4.34Å; I101-Y111 HydrophobicContact CD1-CE1 4.09Å; I101-Y111 HydrophobicContact CG1-CD1 3.8Å; I101-Y111 HydrophobicContact CG1-CE1 3.75Å; I101-Y111 HydrophobicContact CG2-CD1 4.17Å; I101-Y111 HydrophobicContact CG2-CE1 3.81Å; I101-I134 WeakPolarHBondContact CD1-O 3.11Å; I101-E136 HydrophobicContact CD1-CG 3.93Å; I101-E136 HydrophobicContact CG1-CG 3.81Å; I101-E136 PolarHBondContact N-OE1 3.11Å |
| 102 | I | 82.6 | Confident | 80.1 | Confident | 53 Ų | 53 | 72.7 Ų | 72.7 | 27% | 0.272 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.7 | 176.4 | -58.8 | 168.4 | 0 | 0 | 0 | 107.6 | K110 I112 V122 | I102-K110 WeakPolarHBondContact CA-O 3.45Å; I102-K110 HydrophobicContact CB-CB 4.25Å; I102-K110 WeakPolarHBondContact CB-O 3.42Å; I102-K110 PolarHBondContact N-O 3.11Å; I102-K110 PolarHBondContact O-N 2.93Å; I102-I112 HydrophobicContact CD1-CD1 3.76Å; I102-I112 HydrophobicContact CD1-CG1 3.48Å; I102-I112 VanDerWaalsContact CD1-CG1 3.48Å; I102-I112 HydrophobicContact CG1-CD1 4.17Å; I102-I112 HydrophobicContact CG1-CG1 3.97Å; I102-V122 HydrophobicContact CD1-CG1 4.37Å; I102-V122 HydrophobicContact CD1-CG2 4.48Å |
| 103 | N | 69.8 | Low | 80.6 | Confident | 99 Ų | 99 | 68.8 Ų | 68.8 | 53% | 0.529 | 36% | 0.361 | S | S | . | . | trans | 58.8 | 58.6 | 178 | -58.2 | -14.8 | 0 | 0 | 0 | 113.6 | D105 S106 | N103-D105 PolarHBondContact O-N 3.46Å; N103-D105 VanDerWaalsContact O-N 3.14Å; N103-S106 PolarHBondContact O-N 2.94Å | ||
| 104 | A | 61.4 | Low | 80.8 | Confident | 74 Ų | 74 | 68.6 Ų | 68.6 | 61% | 0.612 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 105 | D | 59.6 | Low | 80.8 | Confident | 169 Ų | 169 | 67.1 Ų | 67.1 | 90% | 0.904 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 5.2 | -173.6 | -51.8 | -44.9 | 0 | 0 | 0 | 114.1 | N103 | N103-D105 PolarHBondContact O-N 3.46Å; N103-D105 VanDerWaalsContact O-N 3.14Å |
| 106 | S | 67.1 | Low | 80.1 | Confident | 71 Ų | 71 | 72.2 Ų | 72.2 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -102.1 | 156.4 | 179.5 | -161.8 | 0 | 0 | 0 | 0 | 110.7 | N103 D108 | N103-S106 PolarHBondContact O-N 2.94Å; S106-D108 PolarHBondContact O-N 3.41Å |
| 107 | E | 62.6 | Low | 79.4 | Confident | 190 Ų | 190 | 78.6 Ų | 78.6 | 89% | 0.888 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -55.7 | -26.2 | -177 | -68.8 | -170.1 | 160 | 0 | 0 | 114.1 | ||
| 108 | D | 69.4 | Low | 78.3 | Confident | 120 Ų | 120 | 79.6 Ų | 79.6 | 64% | 0.642 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -122.5 | 92.8 | 176.9 | -62.8 | -36.1 | 0 | 0 | 0 | 111.8 | S106 | S106-D108 PolarHBondContact O-N 3.41Š|
| 109 | P | 78.9 | Confident | 77.8 | Confident | 20 Ų | 20 | 81.6 Ų | 81.6 | 13% | 0.13 | 42% | 0.424 | C | S | . | . | trans | -70.3 | 132.4 | 175.1 | 25.5 | -29.9 | 0 | 0 | 0 | 110.7 | Y111 P131 | P109-Y111 HydrophobicContact CB-CE2 4.14Å; P109-Y111 HydrophobicContact CG-CE2 4.26Å; P109-Y111 WeakPolarHBondContact O-CE2 3.41Å; P109-P131 HydrophobicContact CG-CB 3.77Å; P109-P131 HydrophobicContact CG-CG 3.78Å | ||
| 110 | K | 85.8 | Confident | 77.9 | Confident | 89 Ų | 89 | 86 Ų | 86 | 39% | 0.387 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 142.8 | 178.5 | -65.3 | -169.8 | 175.5 | -172.6 | 0 | 110.6 | I102 V122 | I102-K110 WeakPolarHBondContact CA-O 3.45Å; I102-K110 HydrophobicContact CB-CB 4.25Å; I102-K110 WeakPolarHBondContact CB-O 3.42Å; I102-K110 PolarHBondContact N-O 3.11Å; I102-K110 PolarHBondContact O-N 2.93Å; K110-V122 HydrophobicContact CB-CG1 4.04Å; K110-V122 HydrophobicContact CD-CG1 4.23Å |
| 111 | Y | 88.8 | Confident | 77.9 | Confident | 3 Ų | 3 | 83.2 Ų | 83.2 | 1% | 0.012 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 135.5 | -174.8 | -60 | -91 | 0 | 0 | 0 | 110.5 | I101 P109 V122 V123 L125 P131 I134 I149 | I101-Y111 HydrophobicContact CB-CD1 4.39Å; I101-Y111 HydrophobicContact CB-CE1 4.34Å; I101-Y111 HydrophobicContact CD1-CE1 4.09Å; I101-Y111 HydrophobicContact CG1-CD1 3.8Å; I101-Y111 HydrophobicContact CG1-CE1 3.75Å; I101-Y111 HydrophobicContact CG2-CD1 4.17Å; I101-Y111 HydrophobicContact CG2-CE1 3.81Å; P109-Y111 HydrophobicContact CB-CE2 4.14Å; P109-Y111 HydrophobicContact CG-CE2 4.26Å; P109-Y111 WeakPolarHBondContact O-CE2 3.41Å; Y111-V122 CarbonylContact O-C 3.58Å; Y111-V122 WeakPolarHBondContact O-CA 3.43Å; Y111-V123 PolarHBondContact N-O 3.06Å; Y111-V123 WeakPolarHBondContact O-CG2 3.43Å; Y111-V123 PolarHBondContact O-N 3.15Å; Y111-L125 HydrophobicContact CD2-CD1 4.08Å; Y111-L125 HydrophobicContact CE2-CB 4.23Å; Y111-L125 HydrophobicContact CE2-CD1 3.57Å; Y111-L125 HydrophobicContact CE2-CG 4.4Å; Y111-P131 WeakPolarHBondContact OH-CA 3.2Å; Y111-P131 WeakPolarHBondContact OH-CB 3.35Å; Y111-I134 HydrophobicContact CD1-CG2 3.73Å; Y111-I134 HydrophobicContact CE1-CB 3.86Å; Y111-I134 HydrophobicContact CE1-CG2 3.56Å; Y111-I149 HydrophobicContact CD1-CD1 4.45Å; Y111-I149 HydrophobicContact CD2-CD1 4.03Å; Y111-I149 HydrophobicContact CG-CD1 3.81Å |
| 112 | I | 90.3 | Very high | 78 | Confident | 39 Ų | 39 | 85.6 Ų | 85.6 | 20% | 0.2 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 110 | 167.9 | -52.3 | -176.5 | 0 | 0 | 0 | 108 | T99 K100 I102 K120 F121 V122 | T99-I112 PolarHBondContact N-O 3.33Å; T99-I112 WeakPolarHBondContact OG1-CB 3.35Å; T99-I112 VanDerWaalsContact OG1-CG2 3.29Å; T99-I112 WeakPolarHBondContact OG1-CG2 3.44Å; T99-I112 PolarHBondContact OG1-O 2.99Å; K100-I112 HydrophobicContact CB-CB 4.48Å; K100-I112 HydrophobicContact CB-CD1 4.26Å; K100-I112 HydrophobicContact CB-CG1 4.49Å; K100-I112 PolarHBondContact O-N 3.29Å; I102-I112 HydrophobicContact CD1-CD1 3.76Å; I102-I112 HydrophobicContact CD1-CG1 3.48Å; I102-I112 VanDerWaalsContact CD1-CG1 3.48Å; I102-I112 HydrophobicContact CG1-CD1 4.17Å; I102-I112 HydrophobicContact CG1-CG1 3.97Å; I112-K120 HydrophobicContact CG2-CB 4.21Å; I112-F121 CarbonylContact C-O 3.55Å; I112-F121 WeakPolarHBondContact CA-O 3.4Å; I112-V122 HydrophobicContact CG1-CG2 4.42Å |
| 113 | I | 90.3 | Very high | 78.3 | Confident | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 147.2 | 173.7 | 61.5 | 165.7 | 0 | 0 | 0 | 111.2 | A96 R97 V115 K120 F121 V123 V140 V142 I149 | A96-I113 HydrophobicContact CB-CB 4.11Å; A96-I113 HydrophobicContact CB-CD1 4.07Å; R97-I113 CarbonylContact O-C 3.53Å; R97-I113 WeakPolarHBondContact O-CA 3.48Å; I113-V115 HydrophobicContact CD1-CG2 4.23Å; I113-K120 CarbonylContact O-C 3.51Å; I113-K120 WeakPolarHBondContact O-CA 3.43Å; I113-F121 HydrophobicContact CD1-CB 4.37Å; I113-F121 HydrophobicContact CG1-CB 3.95Å; I113-F121 PolarHBondContact N-O 3.21Å; I113-F121 PolarHBondContact O-N 3.3Å; I113-V123 HydrophobicContact CB-CG2 4.35Å; I113-V123 HydrophobicContact CD1-CB 4.42Å; I113-V123 HydrophobicContact CD1-CG1 3.59Å; I113-V123 HydrophobicContact CD1-CG2 4.02Å; I113-V123 HydrophobicContact CG1-CB 4.48Å; I113-V123 HydrophobicContact CG1-CG1 3.72Å; I113-V123 HydrophobicContact CG1-CG2 3.89Å; I113-V123 HydrophobicContact CG2-CG2 3.64Å; I113-V140 HydrophobicContact CG2-CG2 4.03Å; I113-V142 HydrophobicContact CD1-CB 4.35Å; I113-V142 HydrophobicContact CD1-CG1 3.82Å; I113-V142 HydrophobicContact CD1-CG2 3.82Å; I113-I149 HydrophobicContact CG2-CD1 4.12Å; I113-I149 HydrophobicContact CG2-CG1 4.37Å |
| 114 | N | 89.4 | Confident | 79.2 | Confident | 65 Ų | 65 | 83 Ų | 83 | 35% | 0.348 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 116.6 | 171.2 | -176.7 | 7.5 | 0 | 0 | 0 | 109.6 | R97 T99 K120 | R97-N114 PolarHBondContact N-O 3.33Å; R97-N114 PolarHBondContact O-N 2.91Å; T99-N114 HydrophobicContact CG2-CB 3.65Å; N114-K120 HydrophobicContact CB-CG 4.39Å |
| 115 | V | 86.4 | Confident | 80.4 | Confident | 4 Ų | 4 | 81.2 Ų | 81.2 | 2% | 0.024 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 124.5 | 176.4 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | Q94 A96 I113 Q117 F118 A119 F121 | Q94-V115 HydrophobicContact CG-CG1 4.22Å; A96-V115 HydrophobicContact CB-CG2 3.91Å; I113-V115 HydrophobicContact CD1-CG2 4.23Å; V115-Q117 PolarHBondContact O-N 3.34Å; V115-F118 PolarHBondContact O-N 3.18Å; V115-A119 PolarHBondContact N-O 3.27Å; V115-F121 HydrophobicContact CG2-CD2 4.11Å; V115-F121 HydrophobicContact CG2-CE2 4.31Å |
| 116 | K | 74.4 | Confident | 81.7 | Confident | 176 Ų | 176 | 73.6 Ų | 73.6 | 77% | 0.765 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -23.1 | -171.6 | -95.6 | -171.5 | 172.9 | -169.3 | 0 | 116.1 | ||
| 117 | Q | 73.7 | Confident | 82.5 | Confident | 138 Ų | 138 | 78.4 Ų | 78.4 | 65% | 0.645 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -20.8 | -171.4 | -74.5 | 175 | -26.5 | 0 | 0 | 114.6 | V115 | V115-Q117 PolarHBondContact O-N 3.34Š|
| 118 | F | 65.6 | Low | 83.4 | Confident | 147 Ų | 147 | 76.5 Ų | 76.5 | 65% | 0.645 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -138.1 | -62.6 | -160.6 | -61.9 | -68.1 | 0 | 0 | 0 | 115.5 | V115 | V115-F118 PolarHBondContact O-N 3.18Š|
| 119 | A | 76.9 | Confident | 84.1 | Confident | 43 Ų | 43 | 71.5 Ų | 71.5 | 36% | 0.355 | 36% | 0.355 | S | S | . | . | trans | -169.1 | 176.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V115 F121 | V115-A119 PolarHBondContact N-O 3.27Å; A119-F121 HydrophobicContact CB-CE2 3.91Å; A119-F121 HydrophobicContact CB-CZ 3.94Å | ||
| 120 | K | 88.6 | Confident | 84.5 | Confident | 145 Ų | 145 | 72.4 Ų | 72.4 | 63% | 0.63 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 133.7 | 165 | -62.4 | 179.6 | -177.1 | 179.9 | 0 | 109.3 | I112 I113 N114 | I112-K120 HydrophobicContact CG2-CB 4.21Å; I113-K120 CarbonylContact O-C 3.51Å; I113-K120 WeakPolarHBondContact O-CA 3.43Å; N114-K120 HydrophobicContact CB-CG 4.39Å |
| 121 | F | 88.1 | Confident | 84.4 | Confident | 61 Ų | 61 | 71.3 Ų | 71.3 | 27% | 0.268 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 144.9 | 177.5 | -63 | -84.3 | 0 | 0 | 0 | 110 | I112 I113 V115 A119 V123 Y147 | I112-F121 CarbonylContact C-O 3.55Å; I112-F121 WeakPolarHBondContact CA-O 3.4Å; I113-F121 HydrophobicContact CD1-CB 4.37Å; I113-F121 HydrophobicContact CG1-CB 3.95Å; I113-F121 PolarHBondContact N-O 3.21Å; I113-F121 PolarHBondContact O-N 3.3Å; V115-F121 HydrophobicContact CG2-CD2 4.11Å; V115-F121 HydrophobicContact CG2-CE2 4.31Å; A119-F121 HydrophobicContact CB-CE2 3.91Å; A119-F121 HydrophobicContact CB-CZ 3.94Å; F121-V123 HydrophobicContact CB-CG1 3.84Å; F121-Y147 HydrophobicContact CE2-CE1 4.44Å |
| 122 | V | 89.1 | Confident | 84.3 | Confident | 91 Ų | 91 | 76.9 Ų | 76.9 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.4 | 166.5 | -177.3 | 0 | 0 | 0 | 0 | 106.6 | I102 K110 Y111 I112 | I102-V122 HydrophobicContact CD1-CG1 4.37Å; I102-V122 HydrophobicContact CD1-CG2 4.48Å; K110-V122 HydrophobicContact CB-CG1 4.04Å; K110-V122 HydrophobicContact CD-CG1 4.23Å; Y111-V122 CarbonylContact O-C 3.58Å; Y111-V122 WeakPolarHBondContact O-CA 3.43Å; I112-V122 HydrophobicContact CG1-CG2 4.42Å |
| 123 | V | 88.9 | Confident | 84 | Confident | 7 Ų | 7 | 79.1 Ų | 79.1 | 4% | 0.042 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 150 | -170.1 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | Y111 I113 F121 Y147 I149 | Y111-V123 PolarHBondContact N-O 3.06Å; Y111-V123 WeakPolarHBondContact O-CG2 3.43Å; Y111-V123 PolarHBondContact O-N 3.15Å; I113-V123 HydrophobicContact CB-CG2 4.35Å; I113-V123 HydrophobicContact CD1-CB 4.42Å; I113-V123 HydrophobicContact CD1-CG1 3.59Å; I113-V123 HydrophobicContact CD1-CG2 4.02Å; I113-V123 HydrophobicContact CG1-CB 4.48Å; I113-V123 HydrophobicContact CG1-CG1 3.72Å; I113-V123 HydrophobicContact CG1-CG2 3.89Å; I113-V123 HydrophobicContact CG2-CG2 3.64Å; F121-V123 HydrophobicContact CB-CG1 3.84Å; V123-Y147 WeakPolarHBondContact CB-O 3.45Å; V123-Y147 WeakPolarHBondContact CG1-O 3.48Å; V123-I149 HydrophobicContact CG2-CD1 3.95Å; V123-I149 HydrophobicContact CG2-CG1 3.91Å |
| 124 | D | 88.1 | Confident | 83.8 | Confident | 92 Ų | 92 | 79.4 Ų | 79.4 | 49% | 0.492 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 161.1 | 174 | -55 | -41.5 | 0 | 0 | 0 | 109.7 | I149 | D124-I149 PolarHBondContact O-N 3.03Š|
| 125 | L | 86.9 | Confident | 83.6 | Confident | 35 Ų | 35 | 83 Ų | 83 | 18% | 0.183 | 43% | 0.429 | C | S | . | . | B | Isolated β-bridge | trans | -80.9 | 147.4 | 177 | -148.6 | 80.4 | 0 | 0 | 0 | 110 | Y111 V129 P131 I134 I149 | Y111-L125 HydrophobicContact CD2-CD1 4.08Å; Y111-L125 HydrophobicContact CE2-CB 4.23Å; Y111-L125 HydrophobicContact CE2-CD1 3.57Å; Y111-L125 HydrophobicContact CE2-CG 4.4Å; L125-V129 HydrophobicContact CD1-CB 4.49Å; L125-V129 HydrophobicContact CD1-CG1 4.28Å; L125-V129 HydrophobicContact CD2-CB 4.12Å; L125-V129 HydrophobicContact CD2-CG1 4.23Å; L125-V129 WeakPolarHBondContact CD2-O 3.42Å; L125-V129 HydrophobicContact CG-CB 4.15Å; L125-V129 HydrophobicContact CG-CG1 4.41Å; L125-P131 HydrophobicContact CD2-CG 4.03Å; L125-I134 HydrophobicContact CD1-CG1 3.84Å; L125-I149 HydrophobicContact CD1-CB 4.06Å; L125-I149 HydrophobicContact CD1-CD1 4.25Å; L125-I149 HydrophobicContact CD1-CG2 4.1Å |
| 126 | S | 85.8 | Confident | 83.6 | Confident | 9 Ų | 9 | 88.1 Ų | 88.1 | 6% | 0.063 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 159.3 | 168.8 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | Q128 V129 I149 H150 | S126-Q128 PolarHBondContact O-N 2.88Å; S126-V129 PolarHBondContact O-N 3.39Å; S126-I149 WeakPolarHBondContact CB-O 3.43Å; S126-I149 PolarHBondContact N-O 3.03Å; S126-I149 PolarHBondContact OG-O 3.1Å; S126-H150 WeakPolarHBondContact OG-CA 3.15Å |
| 127 | D | 83.7 | Confident | 84 | Confident | 172 Ų | 172 | 81.8 Ų | 81.8 | 92% | 0.92 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -13.4 | 179.5 | -55.4 | -31.5 | 0 | 0 | 0 | 114.4 | ||
| 128 | Q | 82.4 | Confident | 84.6 | Confident | 151 Ų | 151 | 77.6 Ų | 77.6 | 71% | 0.706 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -13 | -176.6 | -63.2 | -65.9 | -28.2 | 0 | 0 | 113.7 | S126 | S126-Q128 PolarHBondContact O-N 2.88Š|
| 129 | V | 84.8 | Confident | 85.6 | Confident | 15 Ų | 15 | 73.6 Ų | 73.6 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -121.1 | 140.7 | -173.8 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | L125 S126 D133 I134 H150 | L125-V129 HydrophobicContact CD1-CB 4.49Å; L125-V129 HydrophobicContact CD1-CG1 4.28Å; L125-V129 HydrophobicContact CD2-CB 4.12Å; L125-V129 HydrophobicContact CD2-CG1 4.23Å; L125-V129 WeakPolarHBondContact CD2-O 3.42Å; L125-V129 HydrophobicContact CG-CB 4.15Å; L125-V129 HydrophobicContact CG-CG1 4.41Å; S126-V129 PolarHBondContact O-N 3.39Å; V129-D133 HydrophobicContact CG1-CB 4.4Å; V129-I134 HydrophobicContact CG1-CD1 3.9Å; V129-I134 HydrophobicContact CG1-CG1 4.02Å; V129-H150 WeakPolarHBondContact CG2-O 3.39Å |
| 130 | A | 86.1 | Confident | 86.2 | Confident | 38 Ų | 38 | 71.6 Ų | 71.6 | 31% | 0.314 | 38% | 0.382 | S | S | . | . | trans | -87.9 | 145.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | T132 D133 | A130-T132 PolarHBondContact O-N 3.01Å; A130-T132 VanDerWaalsContact O-N 3.12Å; A130-D133 PolarHBondContact O-N 2.9Å | ||
| 131 | P | 84.6 | Confident | 86.3 | Confident | 66 Ų | 66 | 64.7 Ų | 64.7 | 43% | 0.429 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -56.4 | -26.8 | 174.6 | -28 | 35.5 | 0 | 0 | 0 | 114.5 | P109 Y111 L125 D133 | P109-P131 HydrophobicContact CG-CB 3.77Å; P109-P131 HydrophobicContact CG-CG 3.78Å; Y111-P131 WeakPolarHBondContact OH-CA 3.2Å; Y111-P131 WeakPolarHBondContact OH-CB 3.35Å; L125-P131 HydrophobicContact CD2-CG 4.03Å; P131-D133 PolarHBondContact O-N 3.47Å |
| 132 | T | 85.4 | Confident | 86.3 | Confident | 120 Ų | 120 | 61.9 Ų | 61.9 | 74% | 0.736 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -67.8 | -22 | 178.3 | 50.2 | 0 | 0 | 0 | 0 | 113.7 | A130 I134 | A130-T132 PolarHBondContact O-N 3.01Å; A130-T132 VanDerWaalsContact O-N 3.12Å; T132-I134 VanDerWaalsContact C-N 3.34Å |
| 133 | D | 85.5 | Confident | 86.2 | Confident | 86 Ų | 86 | 58.1 Ų | 58.1 | 46% | 0.46 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -89.4 | -6.4 | -172.8 | -57.1 | -19.4 | 0 | 0 | 0 | 112.2 | V129 A130 P131 | V129-D133 HydrophobicContact CG1-CB 4.4Å; A130-D133 PolarHBondContact O-N 2.9Å; P131-D133 PolarHBondContact O-N 3.47Å |
| 134 | I | 86.2 | Confident | 85.9 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | trans | -107.1 | 114.9 | -177.6 | -57.1 | -53.7 | 0 | 0 | 0 | 110.4 | C98 I101 Y111 L125 V129 T132 V140 I149 P152 | C98-I134 HydrophobicContact CB-CG2 4.38Å; I101-I134 WeakPolarHBondContact CD1-O 3.11Å; Y111-I134 HydrophobicContact CD1-CG2 3.73Å; Y111-I134 HydrophobicContact CE1-CB 3.86Å; Y111-I134 HydrophobicContact CE1-CG2 3.56Å; L125-I134 HydrophobicContact CD1-CG1 3.84Å; V129-I134 HydrophobicContact CG1-CD1 3.9Å; V129-I134 HydrophobicContact CG1-CG1 4.02Å; T132-I134 VanDerWaalsContact C-N 3.34Å; I134-V140 HydrophobicContact CD1-CG1 3.87Å; I134-I149 HydrophobicContact CD1-CG2 4.11Å; I134-P152 HydrophobicContact CD1-CB 3.92Å; I134-P152 HydrophobicContact CD1-CG 4.47Å | ||
| 135 | E | 85.7 | Confident | 85.6 | Confident | 140 Ų | 140 | 66.5 Ų | 66.5 | 65% | 0.654 | 35% | 0.351 | S | S | * | . | trans | -101.8 | 157.5 | 173.7 | -63.6 | -175.2 | 170.3 | 0 | 0 | 112.5 | G137 M138 | E135-G137 PolarHBondContact O-N 3.03Å; E135-M138 HydrophobicContact CB-CB 4.5Å; E135-M138 VanDerWaalsContact O-CB 3.26Å; E135-M138 WeakPolarHBondContact O-CB 2.87Å; E135-M138 PolarHBondContact O-N 2.82Å | ||
| 136 | E | 85.1 | Confident | 85.5 | Confident | 113 Ų | 113 | 72.4 Ų | 72.4 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 130.4 | 171.6 | -66.7 | -166.2 | 157 | 0 | 0 | 110.7 | K100 I101 M138 | K100-E136 WeakPolarHBondContact CG-OE1 3.4Å; I101-E136 HydrophobicContact CD1-CG 3.93Å; I101-E136 HydrophobicContact CG1-CG 3.81Å; I101-E136 PolarHBondContact N-OE1 3.11Å; E136-M138 VanDerWaalsContact C-N 3.32Å |
| 137 | G | 82.9 | Confident | 85.5 | Confident | 42 Ų | 42 | 75.1 Ų | 75.1 | 43% | 0.433 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -9.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | C98 E135 | C98-G137 WeakPolarHBondContact O-CA 3.41Å; C98-G137 PolarHBondContact O-N 3.32Å; E135-G137 PolarHBondContact O-N 3.03Å |
| 138 | M | 85.4 | Confident | 85.7 | Confident | 51 Ų | 51 | 69.9 Ų | 69.9 | 25% | 0.251 | 35% | 0.354 | S | S | . | . | trans | -67.1 | 149.2 | 179.3 | -160 | 175.6 | -166.2 | 0 | 0 | 112 | R97 C98 E135 E136 P152 | R97-M138 WeakPolarHBondContact CA-O 3.44Å; C98-M138 PolarHBondContact N-O 3.35Å; E135-M138 HydrophobicContact CB-CB 4.5Å; E135-M138 VanDerWaalsContact O-CB 3.26Å; E135-M138 WeakPolarHBondContact O-CB 2.87Å; E135-M138 PolarHBondContact O-N 2.82Å; E136-M138 VanDerWaalsContact C-N 3.32Å; M138-P152 HydrophobicContact CE-CB 3.64Å; M138-P152 HydrophobicContact SD-CB 3.9Å | ||
| 139 | R | 87.3 | Confident | 86 | Confident | 63 Ų | 63 | 62.7 Ų | 62.7 | 24% | 0.238 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 140 | 170.5 | -71.8 | -177.6 | 121.1 | -172.1 | -6.4 | 109 | A96 L153 | A96-R139 WeakPolarHBondContact O-CA 3.32Å; R139-L153 HydrophobicContact CB-CB 3.87Å; R139-L153 WeakPolarHBondContact O-CA 3.38Å; R139-L153 PolarHBondContact O-N 3.1Å |
| 140 | V | 89.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 140.6 | -179.5 | -70.7 | 0 | 0 | 0 | 0 | 109.9 | A96 I113 I134 V142 I149 I151 | A96-V140 HydrophobicContact CB-CG2 4.24Å; A96-V140 PolarHBondContact N-O 3.43Å; A96-V140 PolarHBondContact O-N 2.95Å; I113-V140 HydrophobicContact CG2-CG2 4.03Å; I134-V140 HydrophobicContact CD1-CG1 3.87Å; V140-V142 HydrophobicContact CB-CG2 4.46Å; V140-V142 HydrophobicContact CG2-CG2 3.86Å; V140-I149 HydrophobicContact CB-CG1 4.45Å; V140-I149 HydrophobicContact CB-CG2 3.97Å; V140-I149 HydrophobicContact CG1-CG2 3.94Å; V140-I149 HydrophobicContact CG2-CD1 4.38Å; V140-I149 HydrophobicContact CG2-CG1 4.23Å; V140-I151 CarbonylContact C-O 3.59Å; V140-I151 WeakPolarHBondContact CA-O 3.29Å |
| 141 | G | 89.9 | Confident | 86.2 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109 | H150 I151 | G141-H150 PolarHBondContact O-N 2.94Å; G141-I151 PolarHBondContact N-O 3.34Å; G141-I151 PolarHBondContact O-N 3.04Å |
| 142 | V | 89.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 139.7 | -172.2 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | Q94 A96 I113 V140 Y147 Q148 I149 | Q94-V142 PolarHBondContact N-O 3.29Å; Q94-V142 PolarHBondContact O-N 3.13Å; A96-V142 HydrophobicContact CB-CB 4.41Å; A96-V142 HydrophobicContact CB-CG2 3.76Å; I113-V142 HydrophobicContact CD1-CB 4.35Å; I113-V142 HydrophobicContact CD1-CG1 3.82Å; I113-V142 HydrophobicContact CD1-CG2 3.82Å; V140-V142 HydrophobicContact CB-CG2 4.46Å; V140-V142 HydrophobicContact CG2-CG2 3.86Å; V142-Y147 HydrophobicContact CG1-CD1 3.98Å; V142-Y147 HydrophobicContact CG1-CG 4.45Å; V142-Y147 VanDerWaalsContact CG1-O 3.26Å; V142-Y147 WeakPolarHBondContact CG1-O 3.13Å; V142-Q148 WeakPolarHBondContact CA-O 3.31Å; V142-I149 HydrophobicContact CG2-CG1 4.29Å |
| 143 | D | 87.3 | Confident | 86.4 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | trans | -66.2 | 143.5 | 174.5 | 178.9 | 30.5 | 0 | 0 | 0 | 111.5 | N145 K146 Y147 Q148 | D143-N145 VanDerWaalsContact C-N 3.31Å; D143-N145 PolarHBondContact O-N 3.44Å; D143-N145 PolarHBondContact OD2-N 3.39Å; D143-K146 PolarHBondContact OD2-N 3.29Å; D143-K146 VanDerWaalsContact OD2-N 3.14Å; D143-Y147 VanDerWaalsContact O-CA 3.26Å; D143-Y147 WeakPolarHBondContact O-CA 3.4Å; D143-Y147 PolarHBondContact O-N 2.8Å; D143-Y147 VanDerWaalsContact O-N 3.16Å; D143-Q148 HydrophobicContact CB-CG 4.13Å; D143-Q148 PolarHBondContact N-O 2.71Å; D143-Q148 VanDerWaalsContact N-O 3.15Å | ||
| 144 | R | 82.3 | Confident | 86.2 | Confident | 142 Ų | 142 | 63.4 Ų | 63.4 | 54% | 0.536 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -28.5 | -179.5 | -68.3 | -177.9 | -176.5 | -154.8 | -1.5 | 113.2 | P92 Q94 | P92-R144 PolarHBondContact O-NE 3.26Å; Q94-R144 HydrophobicContact CB-CG 4.23Å |
| 145 | N | 82.5 | Confident | 85.5 | Confident | 133 Ų | 133 | 66.5 Ų | 66.5 | 71% | 0.711 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -54 | -172.9 | -65.9 | -22.9 | 0 | 0 | 0 | 111.8 | D143 | D143-N145 VanDerWaalsContact C-N 3.31Å; D143-N145 PolarHBondContact O-N 3.44Å; D143-N145 PolarHBondContact OD2-N 3.39Å |
| 146 | K | 82.9 | Confident | 84.7 | Confident | 159 Ų | 159 | 63.2 Ų | 63.2 | 69% | 0.691 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -10 | -175.6 | -68.6 | -175.8 | 179.9 | -179.3 | 0 | 114.2 | D143 Q148 | D143-K146 PolarHBondContact OD2-N 3.29Å; D143-K146 VanDerWaalsContact OD2-N 3.14Å; K146-Q148 HydrophobicContact CB-CG 4.36Å; K146-Q148 PolarHBondContact O-N 3.35Å; K146-Q148 VanDerWaalsContact O-N 3.09Å |
| 147 | Y | 85.8 | Confident | 83.9 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 26% | 0.255 | 31% | 0.308 | S | S | . | . | trans | 53.9 | 22.2 | -174 | -61.8 | -76.6 | 0 | 0 | 0 | 115.2 | F121 V123 V142 D143 | F121-Y147 HydrophobicContact CE2-CE1 4.44Å; V123-Y147 WeakPolarHBondContact CB-O 3.45Å; V123-Y147 WeakPolarHBondContact CG1-O 3.48Å; V142-Y147 HydrophobicContact CG1-CD1 3.98Å; V142-Y147 HydrophobicContact CG1-CG 4.45Å; V142-Y147 VanDerWaalsContact CG1-O 3.26Å; V142-Y147 WeakPolarHBondContact CG1-O 3.13Å; D143-Y147 VanDerWaalsContact O-CA 3.26Å; D143-Y147 WeakPolarHBondContact O-CA 3.4Å; D143-Y147 PolarHBondContact O-N 2.8Å; D143-Y147 VanDerWaalsContact O-N 3.16Å | ||
| 148 | Q | 88.3 | Confident | 83.2 | Confident | 62 Ų | 62 | 59.1 Ų | 59.1 | 29% | 0.29 | 29% | 0.29 | S | S | . | . | trans | -74.4 | 144.9 | 174.4 | 65.3 | -173.1 | 16.1 | 0 | 0 | 111.7 | V142 D143 K146 H150 | V142-Q148 WeakPolarHBondContact CA-O 3.31Å; D143-Q148 HydrophobicContact CB-CG 4.13Å; D143-Q148 PolarHBondContact N-O 2.71Å; D143-Q148 VanDerWaalsContact N-O 3.15Å; K146-Q148 HydrophobicContact CB-CG 4.36Å; K146-Q148 PolarHBondContact O-N 3.35Å; K146-Q148 VanDerWaalsContact O-N 3.09Å; Q148-H150 PolarHBondContact O-N 2.91Å | ||
| 149 | I | 88.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 117.5 | 176.8 | -64.4 | 172.1 | 0 | 0 | 0 | 109.4 | Y111 I113 V123 D124 L125 S126 I134 V140 V142 | Y111-I149 HydrophobicContact CD1-CD1 4.45Å; Y111-I149 HydrophobicContact CD2-CD1 4.03Å; Y111-I149 HydrophobicContact CG-CD1 3.81Å; I113-I149 HydrophobicContact CG2-CD1 4.12Å; I113-I149 HydrophobicContact CG2-CG1 4.37Å; V123-I149 HydrophobicContact CG2-CD1 3.95Å; V123-I149 HydrophobicContact CG2-CG1 3.91Å; D124-I149 PolarHBondContact O-N 3.03Å; L125-I149 HydrophobicContact CD1-CB 4.06Å; L125-I149 HydrophobicContact CD1-CD1 4.25Å; L125-I149 HydrophobicContact CD1-CG2 4.1Å; S126-I149 WeakPolarHBondContact CB-O 3.43Å; S126-I149 PolarHBondContact N-O 3.03Å; S126-I149 PolarHBondContact OG-O 3.1Å; I134-I149 HydrophobicContact CD1-CG2 4.11Å; V140-I149 HydrophobicContact CB-CG1 4.45Å; V140-I149 HydrophobicContact CB-CG2 3.97Å; V140-I149 HydrophobicContact CG1-CG2 3.94Å; V140-I149 HydrophobicContact CG2-CD1 4.38Å; V140-I149 HydrophobicContact CG2-CG1 4.23Å; V142-I149 HydrophobicContact CG2-CG1 4.29Å |
| 150 | H | 87.4 | Confident | 81.6 | Confident | 80 Ų | 80 | 61.2 Ų | 61.2 | 37% | 0.37 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -35.9 | -177 | -162.2 | -64.7 | 0 | 0 | 0 | 113.7 | L93 S126 V129 G141 Q148 | L93-H150 HydrophobicContact CD1-CB 4.32Å; L93-H150 HydrophobicContact CD2-CB 3.77Å; S126-H150 WeakPolarHBondContact OG-CA 3.15Å; V129-H150 WeakPolarHBondContact CG2-O 3.39Å; G141-H150 PolarHBondContact O-N 2.94Å; Q148-H150 PolarHBondContact O-N 2.91Å |
| 151 | I | 88.3 | Confident | 80.5 | Confident | 76 Ų | 76 | 61.2 Ų | 61.2 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 133.3 | -179.3 | -165.1 | 170.4 | 0 | 0 | 0 | 110.8 | L93 V140 G141 L153 | L93-I151 HydrophobicContact CD1-CG2 3.74Å; V140-I151 CarbonylContact C-O 3.59Å; V140-I151 WeakPolarHBondContact CA-O 3.29Å; G141-I151 PolarHBondContact N-O 3.34Å; G141-I151 PolarHBondContact O-N 3.04Å; I151-L153 HydrophobicContact CG2-CD2 4.1Å; I151-L153 HydrophobicContact CG2-CG 4.43Å; I151-L153 PolarHBondContact O-N 2.89Å |
| 152 | P | 88.4 | Confident | 79.5 | Confident | 39 Ų | 39 | 63.9 Ų | 63.9 | 25% | 0.253 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 128.4 | 165.1 | 25.5 | -30.1 | 0 | 0 | 0 | 109.6 | I134 M138 | I134-P152 HydrophobicContact CD1-CB 3.92Å; I134-P152 HydrophobicContact CD1-CG 4.47Å; M138-P152 HydrophobicContact CE-CB 3.64Å; M138-P152 HydrophobicContact SD-CB 3.9Å |
| 153 | L | 86.4 | Confident | 78.4 | Confident | 47 Ų | 47 | 71.8 Ų | 71.8 | 25% | 0.246 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 143.6 | 174.5 | -65.1 | 171 | 0 | 0 | 0 | 108.9 | V95 R139 I151 | V95-L153 HydrophobicContact CB-CD1 4.41Å; V95-L153 HydrophobicContact CG1-CD1 4Å; V95-L153 HydrophobicContact CG2-CD1 3.91Å; R139-L153 HydrophobicContact CB-CB 3.87Å; R139-L153 WeakPolarHBondContact O-CA 3.38Å; R139-L153 PolarHBondContact O-N 3.1Å; I151-L153 HydrophobicContact CG2-CD2 4.1Å; I151-L153 HydrophobicContact CG2-CG 4.43Å; I151-L153 PolarHBondContact O-N 2.89Å |
| 154 | P | 80 | Confident | 77.5 | Confident | 98 Ų | 98 | 72.5 Ų | 72.5 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 150.2 | 171.6 | -26.2 | 34.2 | 0 | 0 | 0 | 111.9 | ||
| 155 | P | 73 | Confident | 76.6 | Confident | 71 Ų | 71 | 68.1 Ų | 68.1 | 46% | 0.461 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 153.4 | 178.3 | 23.9 | -33.5 | 0 | 0 | 0 | 111 | I157 | P155-I157 PolarHBondContact O-N 3.23Š|
| 156 | K | 68.6 | Low | 75.6 | Confident | 71 Ų | 71 | 64.2 Ų | 64.2 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | trans | -70.8 | 101.9 | 177.2 | -172.6 | 173 | -178.4 | -90.5 | 0 | 107.2 | D158 | K156-D158 IonicContact NZ-OD1 2.62Å; K156-D158 PolarHBondContact NZ-OD1 2.74Å | ||
| 157 | I | 67 | Low | 74.3 | Confident | 60 Ų | 60 | 65 Ų | 65 | 31% | 0.308 | 35% | 0.345 | S | S | . | . | trans | -85.1 | 126.6 | 162.1 | -51.1 | 173.8 | 0 | 0 | 0 | 105.6 | P155 V161 T162 M263 | P155-I157 PolarHBondContact O-N 3.23Å; I157-V161 HydrophobicContact CG2-CB 4.49Å; I157-T162 HydrophobicContact CB-CG2 4.2Å; I157-T162 HydrophobicContact CG2-CG2 3.6Å; I157-M263 HydrophobicContact CD1-CB 4.44Å; I157-M263 HydrophobicContact CD1-CG 4.29Å; I157-M263 HydrophobicContact CG2-CB 4.34Å; I157-M263 HydrophobicContact CG2-CG 4.42Å; I157-M263 HydrophobicContact CG2-SD 3.94Å | ||
| 158 | D | 69.3 | Low | 72.9 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 5% | 0.053 | 37% | 0.37 | C | S | . | . | trans | -61.8 | 133.2 | 174.4 | -82.4 | -26.1 | 0 | 0 | 0 | 109.6 | K156 T160 V161 T162 R255 E259 | K156-D158 IonicContact NZ-OD1 2.62Å; K156-D158 PolarHBondContact NZ-OD1 2.74Å; D158-T160 PolarHBondContact O-N 3.26Å; D158-T160 VanDerWaalsContact O-N 3.11Å; D158-V161 HydrophobicContact CB-CG2 4.36Å; D158-V161 PolarHBondContact O-N 3.03Å; D158-T162 PolarHBondContact O-N 3.11Å; D158-R255 IonicContact OD2-CZ 3.25Å; D158-R255 VanDerWaalsContact OD2-CZ 3.25Å; D158-R255 IonicContact OD2-NE 2.98Å; D158-R255 PolarHBondContact OD2-NE 2.95Å; D158-R255 IonicContact OD2-NH2 2.75Å; D158-R255 PolarHBondContact OD2-NH2 3.41Å; D158-E259 WeakPolarHBondContact CA-OE2 3.34Å; D158-E259 WeakPolarHBondContact CB-OE2 3.43Å; D158-E259 PolarHBondContact N-OE2 3.13Å | ||
| 159 | P | 67.8 | Low | 71.9 | Confident | 86 Ų | 86 | 72.9 Ų | 72.9 | 56% | 0.558 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.1 | -22.3 | -177.1 | 25 | -33.8 | 0 | 0 | 0 | 112.3 | V161 T162 M163 | P159-V161 VanDerWaalsContact C-N 3.34Å; P159-T162 VanDerWaalsContact CA-OG1 3.24Å; P159-T162 WeakPolarHBondContact CA-OG1 3.45Å; P159-T162 PolarHBondContact O-N 3.03Å; P159-T162 PolarHBondContact O-OG1 3.43Å; P159-M163 WeakPolarHBondContact O-CB 3.4Å; P159-M163 WeakPolarHBondContact O-CG 3.38Å; P159-M163 PolarHBondContact O-N 3.08Å |
| 160 | T | 70.3 | Confident | 70.9 | Confident | 71 Ų | 71 | 73.4 Ų | 73.4 | 44% | 0.436 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 173 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | D158 M163 M164 | D158-T160 PolarHBondContact O-N 3.26Å; D158-T160 VanDerWaalsContact O-N 3.11Å; T160-M163 PolarHBondContact O-N 3.02Å; T160-M164 WeakPolarHBondContact O-CG 3.49Å; T160-M164 PolarHBondContact O-N 3.33Å |
| 161 | V | 68.4 | Low | 70.5 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -72.8 | -38.1 | 178.6 | -178 | 0 | 0 | 0 | 0 | 110.8 | I157 D158 P159 M163 M164 Q165 M256 E259 L260 M263 | I157-V161 HydrophobicContact CG2-CB 4.49Å; D158-V161 HydrophobicContact CB-CG2 4.36Å; D158-V161 PolarHBondContact O-N 3.03Å; P159-V161 VanDerWaalsContact C-N 3.34Å; V161-M163 VanDerWaalsContact C-N 3.29Å; V161-M163 PolarHBondContact O-N 3.36Å; V161-M164 WeakPolarHBondContact O-CB 3.31Å; V161-M164 PolarHBondContact O-N 3.25Å; V161-M164 VanDerWaalsContact O-N 3.12Å; V161-Q165 PolarHBondContact O-N 2.94Å; V161-M256 HydrophobicContact CG2-CG 3.65Å; V161-E259 HydrophobicContact CG2-CB 4.34Å; V161-L260 HydrophobicContact CG1-CB 4Å; V161-L260 HydrophobicContact CG1-CD1 4.15Å; V161-M263 HydrophobicContact CG1-SD 3.98Å |
| 162 | T | 67.7 | Low | 70.3 | Confident | 57 Ų | 57 | 74 Ų | 74 | 35% | 0.35 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.9 | -33.2 | 175.1 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | I157 D158 P159 M164 Q165 M263 | I157-T162 HydrophobicContact CB-CG2 4.2Å; I157-T162 HydrophobicContact CG2-CG2 3.6Å; D158-T162 PolarHBondContact O-N 3.11Å; P159-T162 VanDerWaalsContact CA-OG1 3.24Å; P159-T162 WeakPolarHBondContact CA-OG1 3.45Å; P159-T162 PolarHBondContact O-N 3.03Å; P159-T162 PolarHBondContact O-OG1 3.43Å; T162-M164 VanDerWaalsContact C-N 3.25Å; T162-M164 PolarHBondContact O-N 3.24Å; T162-Q165 WeakPolarHBondContact O-CB 3.26Å; T162-Q165 PolarHBondContact O-N 3.05Å; T162-Q165 VanDerWaalsContact O-N 3.15Å; T162-M263 HydrophobicContact CG2-CE 4.02Å; T162-M263 HydrophobicContact CG2-SD 4.1Å |
| 163 | M | 65.8 | Low | 70.3 | Confident | 168 Ų | 168 | 74.6 Ų | 74.6 | 83% | 0.828 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -69 | -22.7 | 173.9 | -70.1 | -76.2 | -120.9 | 0 | 0 | 113 | P159 T160 V161 Q165 | P159-M163 WeakPolarHBondContact O-CB 3.4Å; P159-M163 WeakPolarHBondContact O-CG 3.38Å; P159-M163 PolarHBondContact O-N 3.08Å; T160-M163 PolarHBondContact O-N 3.02Å; V161-M163 VanDerWaalsContact C-N 3.29Å; V161-M163 PolarHBondContact O-N 3.36Å; M163-Q165 VanDerWaalsContact C-N 3.26Å |
| 164 | M | 68.3 | Low | 70.3 | Confident | 28 Ų | 28 | 74.6 Ų | 74.6 | 14% | 0.138 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -12.8 | 172.9 | -65.3 | 172.5 | 179 | 0 | 0 | 112.6 | T160 V161 T162 V166 E244 M256 | T160-M164 WeakPolarHBondContact O-CG 3.49Å; T160-M164 PolarHBondContact O-N 3.33Å; V161-M164 WeakPolarHBondContact O-CB 3.31Å; V161-M164 PolarHBondContact O-N 3.25Å; V161-M164 VanDerWaalsContact O-N 3.12Å; T162-M164 VanDerWaalsContact C-N 3.25Å; T162-M164 PolarHBondContact O-N 3.24Å; M164-V166 PolarHBondContact O-N 3.47Å; M164-E244 HydrophobicContact CE-CB 3.94Å; M164-M256 HydrophobicContact CE-CE 4.42Å; M164-M256 HydrophobicContact CE-SD 3.6Å; M164-M256 VanDerWaalsContact CE-SD 3.6Å; M164-M256 HydrophobicContact SD-SD 4.1Å |
| 165 | Q | 64.4 | Low | 70.6 | Confident | 50 Ų | 50 | 73.6 Ų | 73.6 | 23% | 0.234 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 120.2 | 169 | -177.1 | -178.4 | -23.9 | 0 | 0 | 108.6 | V161 T162 M163 E167 M263 | V161-Q165 PolarHBondContact O-N 2.94Å; T162-Q165 WeakPolarHBondContact O-CB 3.26Å; T162-Q165 PolarHBondContact O-N 3.05Å; T162-Q165 VanDerWaalsContact O-N 3.15Å; M163-Q165 VanDerWaalsContact C-N 3.26Å; Q165-E167 PolarHBondContact O-N 2.95Å; Q165-E167 VanDerWaalsContact O-N 3.11Å; Q165-M263 HydrophobicContact CB-CE 3.96Å; Q165-M263 HydrophobicContact CG-CE 4.36Å |
| 166 | V | 61.3 | Low | 71.2 | Confident | 51 Ų | 51 | 73.7 Ų | 73.7 | 31% | 0.309 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 100.7 | 169.8 | -170.8 | 0 | 0 | 0 | 0 | 106 | M164 E168 F237 R239 | M164-V166 PolarHBondContact O-N 3.47Å; V166-E168 VanDerWaalsContact C-N 3.28Å; V166-E168 VanDerWaalsContact CG1-O 3.27Å; V166-E168 WeakPolarHBondContact CG1-O 3.49Å; V166-F237 HydrophobicContact CB-CD1 4.12Å; V166-F237 HydrophobicContact CG2-CD1 4.11Å; V166-F237 HydrophobicContact CG2-CE1 4.42Å; V166-F237 PolarHBondContact N-O 2.83Å; V166-R239 HydrophobicContact CG2-CB 3.62Å |
| 167 | E | 54.9 | Low | 72.1 | Confident | 176 Ų | 176 | 70.9 Ų | 70.9 | 82% | 0.822 | 37% | 0.373 | S | S | * | . | trans | -72.2 | -24.5 | -176.9 | -143.9 | 168.4 | -164.9 | 0 | 0 | 112 | Q165 | Q165-E167 PolarHBondContact O-N 2.95Å; Q165-E167 VanDerWaalsContact O-N 3.11Å | ||
| 168 | E | 57.8 | Low | 72.9 | Confident | 167 Ų | 167 | 68.5 Ų | 68.5 | 78% | 0.78 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -101.5 | 131.5 | 178.2 | -69.7 | -169.2 | 150.7 | 0 | 0 | 113.2 | V166 | V166-E168 VanDerWaalsContact C-N 3.28Å; V166-E168 VanDerWaalsContact CG1-O 3.27Å; V166-E168 WeakPolarHBondContact CG1-O 3.49Å |
| 169 | K | 65.7 | Low | 73.4 | Confident | 124 Ų | 124 | 69.2 Ų | 69.2 | 54% | 0.539 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 127.1 | 173.6 | -62.1 | -179.6 | -175.3 | -175.3 | 0 | 109.1 | D171 D234 | K169-D171 PolarHBondContact O-N 3.15Å; K169-D234 WeakPolarHBondContact CE-OD1 3.34Å; K169-D234 IonicContact NZ-OD1 3.68Å; K169-D234 PolarHBondContact NZ-OD1 2.83Å |
| 170 | P | 69 | Low | 74.1 | Confident | 11 Ų | 11 | 65.5 Ų | 65.5 | 7% | 0.071 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 129.5 | 176.3 | 25.3 | -32.3 | 0 | 0 | 0 | 110.4 | V172 R227 A230 N231 | P170-V172 PolarHBondContact O-N 2.78Å; P170-R227 HydrophobicContact CB-CB 4Å; P170-R227 HydrophobicContact CB-CG 4.22Å; P170-R227 HydrophobicContact CG-CB 4.12Å; P170-R227 HydrophobicContact CG-CG 4.49Å; P170-R227 VanDerWaalsContact CG-O 3.3Å; P170-R227 WeakPolarHBondContact CG-O 3.32Å; P170-A230 HydrophobicContact CG-CB 3.84Å; P170-N231 VanDerWaalsContact O-CB 3.26Å; P170-N231 WeakPolarHBondContact O-CB 3.24Å; P170-N231 PolarHBondContact O-ND2 3.36Å |
| 171 | D | 78.9 | Confident | 74.9 | Confident | 148 Ų | 148 | 70.1 Ų | 70.1 | 79% | 0.791 | 36% | 0.364 | S | S | * | . | trans | -65.2 | 0.5 | -178.6 | -62.7 | -39.4 | 0 | 0 | 0 | 115.7 | K169 | K169-D171 PolarHBondContact O-N 3.15Š| ||
| 172 | V | 84.1 | Confident | 75.8 | Confident | 22 Ų | 22 | 76.6 Ų | 76.6 | 13% | 0.133 | 39% | 0.394 | C | S | . | . | trans | -79 | 132.1 | -175.8 | -176 | 0 | 0 | 0 | 0 | 109.5 | P170 D176 L224 R227 A228 N231 | P170-V172 PolarHBondContact O-N 2.78Å; V172-D176 HydrophobicContact CG1-CB 4.22Å; V172-L224 HydrophobicContact CG1-CD2 4.42Å; V172-R227 HydrophobicContact CB-CB 4.16Å; V172-R227 HydrophobicContact CG2-CB 4.3Å; V172-A228 HydrophobicContact CG1-CB 4.41Å; V172-A228 WeakPolarHBondContact O-CA 3.15Å; V172-N231 WeakPolarHBondContact O-CB 3.44Å; V172-N231 PolarHBondContact O-ND2 3.42Å | ||
| 173 | T | 87 | Confident | 76.9 | Confident | 50 Ų | 50 | 75.2 Ų | 75.2 | 31% | 0.307 | 38% | 0.384 | S | S | . | . | trans | -109.9 | 163.8 | 179.4 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | S175 D176 | T173-S175 PolarHBondContact O-N 3.18Å; T173-S175 PolarHBondContact OG1-OG 3.01Å; T173-D176 PolarHBondContact N-OD2 2.89Å; T173-D176 WeakPolarHBondContact O-CB 3.3Å; T173-D176 PolarHBondContact O-N 3Å; T173-D176 PolarHBondContact OG1-OD2 2.69Å | ||
| 174 | Y | 87.2 | Confident | 78 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -61.1 | -26.2 | 173.3 | -75.3 | -64.5 | 0 | 0 | 0 | 113.3 | D176 V177 I184 R188 A228 V229 R232 | Y174-D176 PolarHBondContact O-N 3.14Å; Y174-V177 PolarHBondContact O-N 3.21Å; Y174-V177 VanDerWaalsContact O-N 3.13Å; Y174-I184 HydrophobicContact CD1-CG2 3.74Å; Y174-I184 HydrophobicContact CE1-CG2 3.76Å; Y174-R188 HydrophobicContact CE1-CG 4.46Å; Y174-A228 HydrophobicContact CD1-CB 3.89Å; Y174-A228 HydrophobicContact CE1-CB 4.07Å; Y174-A228 HydrophobicContact CG-CB 4.33Å; Y174-V229 HydrophobicContact CE1-CG2 4.16Å; Y174-V229 WeakPolarHBondContact OH-CA 3.42Å; Y174-V229 WeakPolarHBondContact OH-CG2 3.39Å; Y174-R232 HydrophobicContact CD2-CB 4.4Å; Y174-R232 HydrophobicContact CE2-CB 3.7Å; Y174-R232 HydrophobicContact CE2-CG 3.87Å |
| 175 | S | 86.2 | Confident | 79 | Confident | 76 Ų | 76 | 71.1 Ų | 71.1 | 53% | 0.531 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -63.5 | -22.1 | 174 | 25.2 | 0 | 0 | 0 | 0 | 113.5 | T173 V177 I357 | T173-S175 PolarHBondContact O-N 3.18Å; T173-S175 PolarHBondContact OG1-OG 3.01Å; S175-V177 VanDerWaalsContact C-N 3.33Å; S175-I357 WeakPolarHBondContact O-CD1 3.35Å |
| 176 | D | 85.9 | Confident | 80.3 | Confident | 73 Ų | 73 | 73.9 Ų | 73.9 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -85.7 | -9.5 | 178.7 | -54.2 | -48.7 | 0 | 0 | 0 | 112.3 | V172 T173 Y174 | V172-D176 HydrophobicContact CG1-CB 4.22Å; T173-D176 PolarHBondContact N-OD2 2.89Å; T173-D176 WeakPolarHBondContact O-CB 3.3Å; T173-D176 PolarHBondContact O-N 3Å; T173-D176 PolarHBondContact OG1-OD2 2.69Å; Y174-D176 PolarHBondContact O-N 3.14Å |
| 177 | V | 86.4 | Confident | 81.7 | Confident | 12 Ų | 12 | 71.4 Ų | 71.4 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | trans | -95 | 112.2 | 177.5 | -171.6 | 0 | 0 | 0 | 0 | 109.4 | Y174 S175 I184 C225 A228 | Y174-V177 PolarHBondContact O-N 3.21Å; Y174-V177 VanDerWaalsContact O-N 3.13Å; S175-V177 VanDerWaalsContact C-N 3.33Å; V177-I184 HydrophobicContact CB-CD1 3.95Å; V177-I184 HydrophobicContact CG1-CD1 3.66Å; V177-I184 HydrophobicContact CG1-CG1 4.23Å; V177-C225 VanDerWaalsContact CG1-SG 3.52Å; V177-A228 HydrophobicContact CG2-CB 4.09Å | ||
| 178 | G | 84.7 | Confident | 83.3 | Confident | 10 Ų | 10 | 67 Ų | 67 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | trans | -101 | 145.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C180 H353 | G178-C180 VanDerWaalsContact C-N 3.31Å; G178-C180 PolarHBondContact O-N 2.93Å; G178-H353 WeakPolarHBondContact CA-ND1 3.37Å | ||
| 179 | G | 80.1 | Confident | 84.7 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 26% | 0.258 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 76.2 | 2.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | G350 | G179-G350 VanDerWaalsContact CA-CA 3.44Š|
| 180 | C | 82.6 | Confident | 85.8 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | trans | -119.2 | 47.6 | -174.6 | -57.4 | 0 | 0 | 0 | 0 | 112.8 | G178 E182 Q183 I184 F343 | G178-C180 VanDerWaalsContact C-N 3.31Å; G178-C180 PolarHBondContact O-N 2.93Å; C180-E182 PolarHBondContact O-N 3.15Å; C180-Q183 HydrophobicContact CB-CB 4.23Å; C180-Q183 PolarHBondContact O-N 2.99Å; C180-Q183 PolarHBondContact O-OE1 3.49Å; C180-I184 HydrophobicContact CB-CD1 4.37Å; C180-I184 HydrophobicContact CB-CG1 4.42Å; C180-I184 WeakPolarHBondContact O-CB 3.3Å; C180-I184 VanDerWaalsContact O-CD1 3.29Å; C180-I184 WeakPolarHBondContact O-CD1 3.49Å; C180-I184 WeakPolarHBondContact O-CG1 3.48Å; C180-I184 PolarHBondContact O-N 2.84Å; C180-F343 HydrophobicContact CB-CE1 4.32Å | ||
| 181 | K | 85.6 | Confident | 86.6 | Confident | 168 Ų | 168 | 57.8 Ų | 57.8 | 73% | 0.73 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62 | -47.6 | -170.4 | -69.6 | -179 | -177.9 | 172.1 | 0 | 112.9 | I184 E185 | K181-I184 PolarHBondContact O-N 3.31Å; K181-E185 PolarHBondContact O-N 3.21Å |
| 182 | E | 89 | Confident | 87 | Confident | 135 Ų | 135 | 51.4 Ų | 51.4 | 63% | 0.631 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -67.6 | -38.9 | -179.1 | -63.7 | -172.4 | 176.9 | 0 | 0 | 112.1 | C180 E185 K186 | C180-E182 PolarHBondContact O-N 3.15Å; E182-E185 PolarHBondContact O-N 3.32Å; E182-K186 WeakPolarHBondContact O-CG 3.36Å; E182-K186 PolarHBondContact O-N 3.09Å |
| 183 | Q | 90.1 | Very high | 87.2 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 178.1 | -61.9 | 80 | 2.2 | 0 | 0 | 110.9 | C180 L187 I341 E342 F343 | C180-Q183 HydrophobicContact CB-CB 4.23Å; C180-Q183 PolarHBondContact O-N 2.99Å; C180-Q183 PolarHBondContact O-OE1 3.49Å; Q183-L187 WeakPolarHBondContact O-CB 3.48Å; Q183-L187 PolarHBondContact O-N 3.22Å; Q183-I341 HydrophobicContact CB-CG2 3.75Å; Q183-I341 HydrophobicContact CG-CG2 3.94Å; Q183-E342 VanDerWaalsContact CG-O 3.28Å; Q183-E342 WeakPolarHBondContact CG-O 3.47Å; Q183-F343 HydrophobicContact CB-CE1 4.17Å; Q183-F343 HydrophobicContact CB-CZ 4.29Å |
| 184 | I | 88.9 | Confident | 87.2 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 11% | 0.108 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 174.9 | -69 | 162.9 | 0 | 0 | 0 | 110.1 | Y174 V177 C180 K181 K186 L187 R188 | Y174-I184 HydrophobicContact CD1-CG2 3.74Å; Y174-I184 HydrophobicContact CE1-CG2 3.76Å; V177-I184 HydrophobicContact CB-CD1 3.95Å; V177-I184 HydrophobicContact CG1-CD1 3.66Å; V177-I184 HydrophobicContact CG1-CG1 4.23Å; C180-I184 HydrophobicContact CB-CD1 4.37Å; C180-I184 HydrophobicContact CB-CG1 4.42Å; C180-I184 WeakPolarHBondContact O-CB 3.3Å; C180-I184 VanDerWaalsContact O-CD1 3.29Å; C180-I184 WeakPolarHBondContact O-CD1 3.49Å; C180-I184 WeakPolarHBondContact O-CG1 3.48Å; C180-I184 PolarHBondContact O-N 2.84Å; K181-I184 PolarHBondContact O-N 3.31Å; I184-K186 PolarHBondContact O-N 3.11Å; I184-L187 WeakPolarHBondContact O-CB 3.36Å; I184-L187 PolarHBondContact O-N 3.02Å; I184-L187 VanDerWaalsContact O-N 3.11Å; I184-R188 HydrophobicContact CG2-CG 4.21Å; I184-R188 VanDerWaalsContact O-CG 3.26Å; I184-R188 WeakPolarHBondContact O-CG 3.32Å; I184-R188 PolarHBondContact O-N 2.89Å |
| 185 | E | 90.2 | Very high | 87 | Confident | 89 Ų | 89 | 49.9 Ų | 49.9 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | -178.9 | -163.7 | 64.5 | -174.4 | 0 | 0 | 111.8 | K181 E182 L187 R188 E189 | K181-E185 PolarHBondContact O-N 3.21Å; E182-E185 PolarHBondContact O-N 3.32Å; E185-L187 PolarHBondContact O-N 3.29Å; E185-R188 WeakPolarHBondContact O-CB 3.39Å; E185-R188 PolarHBondContact O-N 3.12Å; E185-R188 VanDerWaalsContact O-N 3.1Å; E185-R188 IonicContact OE1-NH1 3.75Å; E185-R188 IonicContact OE2-CZ 2.88Å; E185-R188 IonicContact OE2-NH1 2.97Å; E185-R188 PolarHBondContact OE2-NH1 3.25Å; E185-E189 WeakPolarHBondContact O-CG 3.03Å; E185-E189 PolarHBondContact O-N 3.39Å |
| 186 | K | 90.7 | Very high | 86.9 | Confident | 107 Ų | 107 | 50.4 Ų | 50.4 | 47% | 0.465 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.6 | -38.1 | 172.4 | -74.1 | 172.2 | -178.8 | 169.1 | 0 | 112.3 | E182 I184 V190 I341 | E182-K186 WeakPolarHBondContact O-CG 3.36Å; E182-K186 PolarHBondContact O-N 3.09Å; I184-K186 PolarHBondContact O-N 3.11Å; K186-V190 VanDerWaalsContact O-CG2 3.3Å; K186-V190 WeakPolarHBondContact O-CG2 3.26Å; K186-V190 PolarHBondContact O-N 3.41Å; K186-I341 HydrophobicContact CB-CD1 3.89Å; K186-I341 HydrophobicContact CB-CG1 4.28Å |
| 187 | L | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.4 | -37.9 | 178.5 | -170.6 | 61.2 | 0 | 0 | 0 | 111.9 | Q183 I184 E185 V190 V191 V212 L214 C225 V229 L318 I341 | Q183-L187 WeakPolarHBondContact O-CB 3.48Å; Q183-L187 PolarHBondContact O-N 3.22Å; I184-L187 WeakPolarHBondContact O-CB 3.36Å; I184-L187 PolarHBondContact O-N 3.02Å; I184-L187 VanDerWaalsContact O-N 3.11Å; E185-L187 PolarHBondContact O-N 3.29Å; L187-V190 PolarHBondContact O-N 2.89Å; L187-V191 HydrophobicContact CD1-CG2 4.2Å; L187-V191 PolarHBondContact O-N 3.24Å; L187-V212 HydrophobicContact CD1-CG1 4.15Å; L187-L214 HydrophobicContact CD1-CD2 4.11Å; L187-C225 HydrophobicContact CD2-CB 4Å; L187-V229 HydrophobicContact CD2-CG2 3.4Å; L187-V229 HydrophobicContact CG-CG2 3.67Å; L187-L318 HydrophobicContact CD1-CD2 3.51Å; L187-I341 HydrophobicContact CB-CD1 4Å; L187-I341 HydrophobicContact CD1-CD1 4.12Å |
| 188 | R | 89.3 | Confident | 86.9 | Confident | 83 Ų | 83 | 53.6 Ų | 53.6 | 31% | 0.313 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 176.3 | -69.1 | 174.3 | 72.7 | -150.5 | 3 | 112.3 | Y174 I184 E185 V190 E192 T193 | Y174-R188 HydrophobicContact CE1-CG 4.46Å; I184-R188 HydrophobicContact CG2-CG 4.21Å; I184-R188 VanDerWaalsContact O-CG 3.26Å; I184-R188 WeakPolarHBondContact O-CG 3.32Å; I184-R188 PolarHBondContact O-N 2.89Å; E185-R188 WeakPolarHBondContact O-CB 3.39Å; E185-R188 PolarHBondContact O-N 3.12Å; E185-R188 VanDerWaalsContact O-N 3.1Å; E185-R188 IonicContact OE1-NH1 3.75Å; E185-R188 IonicContact OE2-CZ 2.88Å; E185-R188 IonicContact OE2-NH1 2.97Å; E185-R188 PolarHBondContact OE2-NH1 3.25Å; R188-V190 PolarHBondContact O-N 2.84Å; R188-E192 HydrophobicContact CB-CB 4.34Å; R188-E192 WeakPolarHBondContact CG-OE2 3.46Å; R188-E192 IonicContact CZ-OE2 3.58Å; R188-E192 IonicContact NE-OE2 2.81Å; R188-E192 PolarHBondContact NE-OE2 2.96Å; R188-E192 IonicContact NH2-OE2 3.62Å; R188-E192 WeakPolarHBondContact O-CA 3.31Å; R188-E192 WeakPolarHBondContact O-CB 3.2Å; R188-E192 PolarHBondContact O-N 3.34Å; R188-T193 PolarHBondContact O-N 3.14Å; R188-T193 PolarHBondContact O-OG1 3.14Å |
| 189 | E | 88.2 | Confident | 87.2 | Confident | 102 Ų | 102 | 60 Ų | 60 | 48% | 0.477 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.5 | -35.2 | 174.6 | -73.8 | 178 | -179.1 | 0 | 0 | 112.5 | E185 P194 | E185-E189 WeakPolarHBondContact O-CG 3.03Å; E185-E189 PolarHBondContact O-N 3.39Å; E189-P194 WeakPolarHBondContact O-CD 3.32Å |
| 190 | V | 87.2 | Confident | 87.6 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -88.3 | -37.4 | -175.7 | 178 | 0 | 0 | 0 | 0 | 113.1 | K186 L187 R188 P194 P209 V212 R339 | K186-V190 VanDerWaalsContact O-CG2 3.3Å; K186-V190 WeakPolarHBondContact O-CG2 3.26Å; K186-V190 PolarHBondContact O-N 3.41Å; L187-V190 PolarHBondContact O-N 2.89Å; R188-V190 PolarHBondContact O-N 2.84Å; V190-P194 WeakPolarHBondContact O-CD 3.15Å; V190-P194 VanDerWaalsContact O-CG 3.26Å; V190-P194 WeakPolarHBondContact O-CG 3.42Å; V190-P209 HydrophobicContact CB-CG 4.23Å; V190-P209 HydrophobicContact CG1-CB 4.14Å; V190-P209 HydrophobicContact CG1-CG 3.76Å; V190-P209 HydrophobicContact CG2-CG 3.96Å; V190-V212 HydrophobicContact CB-CG2 3.77Å; V190-V212 HydrophobicContact CG1-CG2 3.12Å; V190-V212 HydrophobicContact CG2-CG2 4.25Å; V190-R339 HydrophobicContact CG2-CB 4.1Å; V190-R339 HydrophobicContact CG2-CG 3.66Å |
| 191 | V | 87.1 | Confident | 87.9 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -53.4 | -173.2 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | L187 L195 V212 V229 T233 L271 L318 | L187-V191 HydrophobicContact CD1-CG2 4.2Å; L187-V191 PolarHBondContact O-N 3.24Å; V191-L195 HydrophobicContact CG1-CD1 4.07Å; V191-L195 WeakPolarHBondContact O-CB 3.47Å; V191-L195 WeakPolarHBondContact O-CD1 3.33Å; V191-L195 VanDerWaalsContact O-CG 3.26Å; V191-L195 WeakPolarHBondContact O-CG 3.44Å; V191-V212 HydrophobicContact CG2-CG2 4.49Å; V191-V229 HydrophobicContact CB-CG1 3.87Å; V191-V229 HydrophobicContact CG1-CG1 3.52Å; V191-V229 HydrophobicContact CG2-CG1 4.48Å; V191-T233 HydrophobicContact CG1-CG2 4.31Å; V191-L271 HydrophobicContact CG1-CD1 3.71Å; V191-L271 HydrophobicContact CG1-CD2 4.15Å; V191-L318 HydrophobicContact CG2-CD1 4.42Å; V191-L318 HydrophobicContact CG2-CD2 4.25Å; V191-L318 HydrophobicContact CG2-CG 4.4Å |
| 192 | E | 87.1 | Confident | 88.1 | Confident | 13 Ų | 13 | 64.9 Ų | 64.9 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.8 | -47.8 | -174.7 | -170.9 | -178.8 | -177.3 | 0 | 0 | 111.4 | R188 L195 L196 R232 T233 | R188-E192 HydrophobicContact CB-CB 4.34Å; R188-E192 WeakPolarHBondContact CG-OE2 3.46Å; R188-E192 IonicContact CZ-OE2 3.58Å; R188-E192 IonicContact NE-OE2 2.81Å; R188-E192 PolarHBondContact NE-OE2 2.96Å; R188-E192 IonicContact NH2-OE2 3.62Å; R188-E192 WeakPolarHBondContact O-CA 3.31Å; R188-E192 WeakPolarHBondContact O-CB 3.2Å; R188-E192 PolarHBondContact O-N 3.34Å; E192-L195 PolarHBondContact O-N 3.13Å; E192-L196 HydrophobicContact CG-CD1 3.9Å; E192-L196 PolarHBondContact O-N 2.99Å; E192-R232 HydrophobicContact CG-CG 4.42Å; E192-R232 VanDerWaalsContact OE1-CG 3.31Å; E192-R232 WeakPolarHBondContact OE1-CG 3.26Å; E192-R232 IonicContact OE1-NE 2.65Å; E192-R232 PolarHBondContact OE1-NE 3.09Å; E192-T233 HydrophobicContact CB-CG2 4.42Å |
| 193 | T | 87.8 | Confident | 88.2 | Confident | 41 Ų | 41 | 65.1 Ų | 65.1 | 25% | 0.252 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | -172.4 | -50 | 0 | 0 | 0 | 0 | 113.1 | R188 L195 H197 F201 | R188-T193 PolarHBondContact O-N 3.14Å; R188-T193 PolarHBondContact O-OG1 3.14Å; T193-L195 VanDerWaalsContact C-N 3.34Å; T193-H197 CarbonylContact O-C 3.48Å; T193-H197 PolarHBondContact O-N 2.95Å; T193-F201 HydrophobicContact CG2-CE2 4.01Å; T193-F201 HydrophobicContact CG2-CZ 4.3Å |
| 194 | P | 86.9 | Confident | 88.4 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 7% | 0.065 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.5 | -29.3 | 177.5 | -19.9 | 34.4 | 0 | 0 | 0 | 113.5 | E189 V190 F201 P208 | E189-P194 WeakPolarHBondContact O-CD 3.32Å; V190-P194 WeakPolarHBondContact O-CD 3.15Å; V190-P194 VanDerWaalsContact O-CG 3.26Å; V190-P194 WeakPolarHBondContact O-CG 3.42Å; P194-F201 HydrophobicContact CB-CD2 4.24Å; P194-F201 HydrophobicContact CB-CE2 3.85Å; P194-F201 HydrophobicContact CB-CZ 4.26Å; P194-F201 HydrophobicContact CG-CD2 4.49Å; P194-F201 HydrophobicContact CG-CE1 4.39Å; P194-F201 HydrophobicContact CG-CE2 3.68Å; P194-F201 HydrophobicContact CG-CZ 3.64Å; P194-P208 HydrophobicContact CB-CB 3.81Å; P194-P208 HydrophobicContact CB-CG 4.42Å; P194-P208 HydrophobicContact CG-CB 3.89Å |
| 195 | L | 83.6 | Confident | 88.4 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 20% | 0.199 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -78 | -40.7 | 179.5 | -71.9 | 174.5 | 0 | 0 | 0 | 112 | V191 E192 T193 T233 A235 A269 N314 | V191-L195 HydrophobicContact CG1-CD1 4.07Å; V191-L195 WeakPolarHBondContact O-CB 3.47Å; V191-L195 WeakPolarHBondContact O-CD1 3.33Å; V191-L195 VanDerWaalsContact O-CG 3.26Å; V191-L195 WeakPolarHBondContact O-CG 3.44Å; E192-L195 PolarHBondContact O-N 3.13Å; T193-L195 VanDerWaalsContact C-N 3.34Å; L195-T233 HydrophobicContact CD1-CG2 3.98Å; L195-A235 HydrophobicContact CD1-CB 4.47Å; L195-A269 HydrophobicContact CD2-CB 4.24Å; L195-N314 HydrophobicContact CD2-CB 4.46Å |
| 196 | L | 84.8 | Confident | 88.3 | Confident | 86 Ų | 86 | 71.7 Ų | 71.7 | 45% | 0.45 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -78.1 | -39.8 | 177.8 | -104 | 89.9 | 0 | 0 | 0 | 113.2 | E192 | E192-L196 HydrophobicContact CG-CD1 3.9Å; E192-L196 PolarHBondContact O-N 2.99Å |
| 197 | H | 86.8 | Confident | 87.9 | Confident | 87 Ų | 87 | 73.8 Ų | 73.8 | 40% | 0.403 | 38% | 0.382 | S | S | . | . | trans | -132.9 | 64.4 | -170.1 | -60 | -48 | 0 | 0 | 0 | 112.1 | T193 E199 R200 | T193-H197 CarbonylContact O-C 3.48Å; T193-H197 PolarHBondContact O-N 2.95Å; H197-E199 PolarHBondContact O-N 2.91Å; H197-R200 HydrophobicContact CB-CG 4.21Å; H197-R200 PolarHBondContact O-N 3.26Å | ||
| 198 | P | 85.1 | Confident | 87.7 | Confident | 66 Ų | 66 | 75.8 Ų | 75.8 | 43% | 0.429 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.8 | -30.9 | 178.8 | 25.1 | -34.1 | 0 | 0 | 0 | 112.5 | R200 F201 V202 | P198-R200 PolarHBondContact O-N 3.23Å; P198-R200 VanDerWaalsContact O-N 3.14Å; P198-F201 PolarHBondContact O-N 2.93Å; P198-V202 PolarHBondContact O-N 3.37Å; P198-V202 VanDerWaalsContact O-N 3.14Å |
| 199 | E | 89.6 | Confident | 87.5 | Confident | 144 Ų | 144 | 73.1 Ų | 73.1 | 67% | 0.673 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -55 | -33.3 | 178.8 | -62.5 | -178 | -173.7 | 0 | 0 | 113.3 | H197 F201 V202 N203 | H197-E199 PolarHBondContact O-N 2.91Å; E199-F201 VanDerWaalsContact C-N 3.3Å; E199-F201 PolarHBondContact O-N 3.25Å; E199-V202 PolarHBondContact O-N 3.48Å; E199-N203 VanDerWaalsContact O-CB 3.31Å; E199-N203 WeakPolarHBondContact O-CB 3.49Å; E199-N203 PolarHBondContact O-N 3.06Å; E199-N203 PolarHBondContact O-ND2 3.16Å |
| 200 | R | 90.4 | Very high | 87.1 | Confident | 162 Ų | 162 | 71.6 Ų | 71.6 | 61% | 0.611 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.1 | -36.8 | 178 | -68.3 | -176.2 | -179.3 | -171.4 | 1.6 | 111.9 | H197 P198 L204 | H197-R200 HydrophobicContact CB-CG 4.21Å; H197-R200 PolarHBondContact O-N 3.26Å; P198-R200 PolarHBondContact O-N 3.23Å; P198-R200 VanDerWaalsContact O-N 3.14Å; R200-L204 VanDerWaalsContact O-CB 3.29Å; R200-L204 WeakPolarHBondContact O-CB 3.32Å; R200-L204 PolarHBondContact O-N 3.47Å |
| 201 | F | 88.3 | Confident | 87.1 | Confident | 30 Ų | 30 | 71.4 Ų | 71.4 | 13% | 0.132 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -75.5 | -40.8 | 178.3 | -68 | -89.1 | 0 | 0 | 0 | 111.2 | T193 P194 P198 E199 L204 G205 I206 P208 | T193-F201 HydrophobicContact CG2-CE2 4.01Å; T193-F201 HydrophobicContact CG2-CZ 4.3Å; P194-F201 HydrophobicContact CB-CD2 4.24Å; P194-F201 HydrophobicContact CB-CE2 3.85Å; P194-F201 HydrophobicContact CB-CZ 4.26Å; P194-F201 HydrophobicContact CG-CD2 4.49Å; P194-F201 HydrophobicContact CG-CE1 4.39Å; P194-F201 HydrophobicContact CG-CE2 3.68Å; P194-F201 HydrophobicContact CG-CZ 3.64Å; P198-F201 PolarHBondContact O-N 2.93Å; E199-F201 VanDerWaalsContact C-N 3.3Å; E199-F201 PolarHBondContact O-N 3.25Å; F201-L204 PolarHBondContact O-N 2.98Å; F201-G205 PolarHBondContact O-N 3.49Å; F201-I206 HydrophobicContact CD1-CD1 3.8Å; F201-I206 HydrophobicContact CD1-CG1 3.92Å; F201-I206 HydrophobicContact CE1-CD1 4.1Å; F201-I206 PolarHBondContact O-N 2.98Å; F201-I206 VanDerWaalsContact O-N 3.13Å; F201-P208 HydrophobicContact CD1-CB 3.88Å; F201-P208 HydrophobicContact CE1-CB 4.04Å; F201-P208 HydrophobicContact CG-CB 4.27Å |
| 202 | V | 88.6 | Confident | 87.3 | Confident | 113 Ų | 113 | 71.3 Ų | 71.3 | 69% | 0.685 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.2 | -47 | 177.3 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | P198 E199 L204 G205 | P198-V202 PolarHBondContact O-N 3.37Å; P198-V202 VanDerWaalsContact O-N 3.14Å; E199-V202 PolarHBondContact O-N 3.48Å; V202-L204 VanDerWaalsContact C-N 3.3Å; V202-L204 PolarHBondContact O-N 3.46Å; V202-G205 PolarHBondContact O-N 2.91Å; V202-G205 VanDerWaalsContact O-N 3.09Å |
| 203 | N | 93 | Very high | 87.6 | Confident | 139 Ų | 139 | 70.8 Ų | 70.8 | 74% | 0.743 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.9 | -34.5 | 179.8 | -72 | -18.8 | 0 | 0 | 0 | 112.8 | E199 G205 | E199-N203 VanDerWaalsContact O-CB 3.31Å; E199-N203 WeakPolarHBondContact O-CB 3.49Å; E199-N203 PolarHBondContact O-N 3.06Å; E199-N203 PolarHBondContact O-ND2 3.16Å; N203-G205 VanDerWaalsContact C-N 3.32Å |
| 204 | L | 94 | Very high | 87.8 | Confident | 124 Ų | 124 | 68.8 Ų | 68.8 | 65% | 0.649 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -79.5 | -16.9 | 176.2 | -172.9 | 59.3 | 0 | 0 | 0 | 112.4 | R200 F201 V202 I206 | R200-L204 VanDerWaalsContact O-CB 3.29Å; R200-L204 WeakPolarHBondContact O-CB 3.32Å; R200-L204 PolarHBondContact O-N 3.47Å; F201-L204 PolarHBondContact O-N 2.98Å; V202-L204 VanDerWaalsContact C-N 3.3Å; V202-L204 PolarHBondContact O-N 3.46Å; L204-I206 HydrophobicContact CB-CG1 4.12Å; L204-I206 HydrophobicContact CD2-CD1 3.6Å; L204-I206 HydrophobicContact CD2-CG1 3.81Å; L204-I206 HydrophobicContact CD2-CG2 4.4Å; L204-I206 HydrophobicContact CG-CD1 4.34Å; L204-I206 HydrophobicContact CG-CG1 3.99Å; L204-I206 HydrophobicContact CG-CG2 4.14Å |
| 205 | G | 88.7 | Confident | 88.1 | Confident | 68 Ų | 68 | 69.7 Ų | 69.7 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 26.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | F201 V202 N203 | F201-G205 PolarHBondContact O-N 3.49Å; V202-G205 PolarHBondContact O-N 2.91Å; V202-G205 VanDerWaalsContact O-N 3.09Å; N203-G205 VanDerWaalsContact C-N 3.32Å |
| 206 | I | 88.3 | Confident | 88.4 | Confident | 85 Ų | 85 | 67.9 Ų | 67.9 | 44% | 0.436 | 36% | 0.358 | S | S | . | . | trans | -109.5 | 139.8 | 178.5 | 57.9 | 160 | 0 | 0 | 0 | 111 | F201 L204 | F201-I206 HydrophobicContact CD1-CD1 3.8Å; F201-I206 HydrophobicContact CD1-CG1 3.92Å; F201-I206 HydrophobicContact CE1-CD1 4.1Å; F201-I206 PolarHBondContact O-N 2.98Å; F201-I206 VanDerWaalsContact O-N 3.13Å; L204-I206 HydrophobicContact CB-CG1 4.12Å; L204-I206 HydrophobicContact CD2-CD1 3.6Å; L204-I206 HydrophobicContact CD2-CG1 3.81Å; L204-I206 HydrophobicContact CD2-CG2 4.4Å; L204-I206 HydrophobicContact CG-CD1 4.34Å; L204-I206 HydrophobicContact CG-CG1 3.99Å; L204-I206 HydrophobicContact CG-CG2 4.14Å | ||
| 207 | E | 82.5 | Confident | 88.6 | Confident | 152 Ų | 152 | 64 Ų | 64 | 71% | 0.71 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 133.7 | 170.2 | -72.3 | -168.4 | 178.5 | 0 | 0 | 110.3 | K210 | E207-K210 IonicContact OE2-NZ 2.66Š|
| 208 | P | 84.6 | Confident | 88.6 | Confident | 42 Ų | 42 | 62 Ų | 62 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 145.1 | 175.1 | 29.7 | -34.5 | 0 | 0 | 0 | 110.2 | P194 F201 K210 | P194-P208 HydrophobicContact CB-CB 3.81Å; P194-P208 HydrophobicContact CB-CG 4.42Å; P194-P208 HydrophobicContact CG-CB 3.89Å; F201-P208 HydrophobicContact CD1-CB 3.88Å; F201-P208 HydrophobicContact CE1-CB 4.04Å; F201-P208 HydrophobicContact CG-CB 4.27Å; P208-K210 PolarHBondContact O-N 3.1Å |
| 209 | P | 84.7 | Confident | 88.7 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 17% | 0.169 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -56 | 140.5 | 177.9 | 18.2 | -27.9 | 0 | 0 | 0 | 111.6 | V190 K316 D338 R339 | V190-P209 HydrophobicContact CB-CG 4.23Å; V190-P209 HydrophobicContact CG1-CB 4.14Å; V190-P209 HydrophobicContact CG1-CG 3.76Å; V190-P209 HydrophobicContact CG2-CG 3.96Å; P209-K316 PolarHBondContact O-NZ 3.49Å; P209-D338 HydrophobicContact CB-CB 3.97Å; P209-R339 HydrophobicContact CB-CG 4.2Å; P209-R339 HydrophobicContact CG-CG 4.48Å |
| 210 | K | 80.3 | Confident | 88.5 | Confident | 70 Ų | 70 | 54 Ų | 54 | 30% | 0.304 | 30% | 0.298 | S | S | . | . | trans | -88.5 | -33.2 | -169.1 | -68.4 | 176.3 | -179.7 | 175.9 | 0 | 113 | E207 P208 V317 D338 | E207-K210 IonicContact OE2-NZ 2.66Å; P208-K210 PolarHBondContact O-N 3.1Å; K210-V317 PolarHBondContact O-N 3.43Å; K210-D338 PolarHBondContact N-OD2 3.5Å | ||
| 211 | G | 86.9 | Confident | 88.3 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 152.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | V317 R336 D338 R339 | G211-V317 VanDerWaalsContact CA-O 3.27Å; G211-V317 WeakPolarHBondContact CA-O 3.24Å; G211-R336 WeakPolarHBondContact CA-O 3.36Å; G211-R336 PolarHBondContact N-O 3.37Å; G211-D338 PolarHBondContact O-N 3.46Å; G211-R339 PolarHBondContact O-N 3.38Å |
| 212 | V | 91.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.1 | 176.5 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | L187 V190 V191 L214 V317 L318 M319 R339 I341 | L187-V212 HydrophobicContact CD1-CG1 4.15Å; V190-V212 HydrophobicContact CB-CG2 3.77Å; V190-V212 HydrophobicContact CG1-CG2 3.12Å; V190-V212 HydrophobicContact CG2-CG2 4.25Å; V191-V212 HydrophobicContact CG2-CG2 4.49Å; V212-L214 HydrophobicContact CG1-CD2 3.85Å; V212-V317 PolarHBondContact N-O 3.24Å; V212-L318 HydrophobicContact CB-CD2 3.78Å; V212-L318 HydrophobicContact CG1-CD2 4.24Å; V212-L318 HydrophobicContact CG2-CD2 4.28Å; V212-M319 PolarHBondContact O-N 2.93Å; V212-R339 CarbonylContact C-O 3.58Å; V212-R339 VanDerWaalsContact CA-O 3.28Å; V212-R339 WeakPolarHBondContact CA-O 3.22Å; V212-R339 HydrophobicContact CG1-CB 4.48Å; V212-R339 HydrophobicContact CG2-CB 4.34Å; V212-I341 HydrophobicContact CG1-CD1 3.61Å; V212-I341 HydrophobicContact CG1-CG1 3.93Å |
| 213 | L | 92.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 121.8 | 168.5 | -176.6 | 65.8 | 0 | 0 | 0 | 110.2 | F215 M319 T321 L327 M332 L337 R339 K340 I341 | L213-F215 HydrophobicContact CG-CD1 4.47Å; L213-M319 CarbonylContact C-O 3.45Å; L213-M319 HydrophobicContact CD1-CB 3.89Å; L213-T321 HydrophobicContact CD1-CG2 4.07Å; L213-L327 HydrophobicContact CD1-CD1 4.17Å; L213-L327 HydrophobicContact CD2-CD1 4.18Å; L213-M332 HydrophobicContact CD2-CE 3.73Å; L213-M332 HydrophobicContact CD2-SD 3.33Å; L213-M332 WeakPolarHBondContact CD2-SD 3.25Å; L213-L337 HydrophobicContact CB-CD1 4.27Å; L213-L337 HydrophobicContact CD1-CD1 4.43Å; L213-R339 PolarHBondContact N-O 2.95Å; L213-K340 HydrophobicContact CB-CG 4.48Å; L213-I341 PolarHBondContact O-N 2.92Å |
| 214 | L | 93.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.6 | 169.6 | -50.9 | -178.4 | 0 | 0 | 0 | 108.4 | L187 V212 K222 M319 A320 T321 I341 F343 | L187-L214 HydrophobicContact CD1-CD2 4.11Å; V212-L214 HydrophobicContact CG1-CD2 3.85Å; L214-K222 HydrophobicContact CB-CB 4.47Å; L214-K222 HydrophobicContact CB-CD 4.33Å; L214-K222 HydrophobicContact CB-CG 4.44Å; L214-M319 PolarHBondContact N-O 2.88Å; L214-A320 HydrophobicContact CB-CB 4.39Å; L214-A320 CarbonylContact O-C 3.46Å; L214-A320 WeakPolarHBondContact O-CA 3.42Å; L214-T321 PolarHBondContact O-N 3.25Å; L214-I341 HydrophobicContact CD2-CB 3.96Å; L214-I341 HydrophobicContact CD2-CD1 4.16Å; L214-I341 HydrophobicContact CD2-CG1 4.5Å; L214-I341 HydrophobicContact CD2-CG2 4.43Å; L214-F343 HydrophobicContact CB-CD2 4.27Å; L214-F343 HydrophobicContact CB-CE2 3.91Å; L214-F343 HydrophobicContact CD1-CE2 4.2Å; L214-F343 HydrophobicContact CD2-CE2 3.63Å; L214-F343 HydrophobicContact CD2-CZ 4.39Å; L214-F343 HydrophobicContact CG-CE2 4.1Å |
| 215 | F | 92.5 | Very high | 87.8 | Confident | 29 Ų | 29 | 34.2 Ų | 34.2 | 13% | 0.127 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 160 | 176.3 | 69.3 | -80.3 | 0 | 0 | 0 | 110.8 | L213 T321 P324 K340 I341 E342 F343 | L213-F215 HydrophobicContact CG-CD1 4.47Å; F215-T321 WeakPolarHBondContact CA-O 3.5Å; F215-T321 HydrophobicContact CB-CG2 3.64Å; F215-P324 HydrophobicContact CB-CB 4.34Å; F215-P324 HydrophobicContact CB-CG 4.46Å; F215-P324 HydrophobicContact CD2-CB 4.37Å; F215-P324 HydrophobicContact CD2-CG 3.98Å; F215-P324 HydrophobicContact CG-CB 4.44Å; F215-P324 HydrophobicContact CG-CG 4.47Å; F215-K340 HydrophobicContact CE1-CB 4.02Å; F215-I341 PolarHBondContact N-O 3.49Å; F215-I341 VanDerWaalsContact N-O 3.15Å; F215-E342 HydrophobicContact CD2-CG 4.27Å; F215-E342 HydrophobicContact CE1-CB 3.97Å; F215-E342 HydrophobicContact CE2-CB 3.84Å; F215-E342 HydrophobicContact CE2-CG 3.58Å; F215-E342 HydrophobicContact CZ-CB 3.48Å; F215-E342 VanDerWaalsContact CZ-CB 3.48Å; F215-E342 HydrophobicContact CZ-CG 3.78Å; F215-F343 PolarHBondContact O-N 3.35Å |
| 216 | G | 90.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 149.2 | 173.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | K222 N433 | G216-K222 PolarHBondContact O-NZ 3.21Å; G216-N433 VanDerWaalsContact C-CG 3.47Å; G216-N433 VanDerWaalsContact C-ND2 3.28Å; G216-N433 VanDerWaalsContact CA-CG 3.45Å; G216-N433 WeakPolarHBondContact CA-OD1 3.26Å; G216-N433 PolarHBondContact N-OD1 3.44Å |
| 217 | P | 88.3 | Confident | 87.5 | Confident | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.032 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -63.1 | 157.6 | 176.8 | 23 | -29.7 | 0 | 0 | 0 | 112 | T220 K222 F343 L345 | P217-T220 HydrophobicContact CG-CG2 3.77Å; P217-T220 PolarHBondContact O-OG1 2.8Å; P217-K222 PolarHBondContact O-NZ 2.84Å; P217-F343 WeakPolarHBondContact CD-O 3.24Å; P217-L345 HydrophobicContact CG-CD2 4.32Å |
| 218 | P | 87.6 | Confident | 87.7 | Confident | 44 Ų | 44 | 24.7 Ų | 24.7 | 29% | 0.286 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 147.4 | 174.4 | 27 | -34.2 | 0 | 0 | 0 | 110.6 | Y429 | P218-Y429 HydrophobicContact CG-CD2 3.8Å; P218-Y429 HydrophobicContact CG-CE2 4.06Å; P218-Y429 HydrophobicContact CG-CG 4.2Å |
| 219 | G | 85.4 | Confident | 87.8 | Confident | 30 Ų | 30 | 22.7 Ų | 22.7 | 31% | 0.309 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 6.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G221 G382 A383 | G219-G221 VanDerWaalsContact C-N 3.33Å; G219-G382 PolarHBondContact O-N 3Å; G219-A383 PolarHBondContact O-N 2.94Å; G219-A383 VanDerWaalsContact O-N 3.14Å |
| 220 | T | 86.1 | Confident | 87.7 | Confident | 11 Ų | 11 | 21.6 Ų | 21.6 | 7% | 0.067 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -84.5 | -1.8 | 171.8 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | P217 F343 | P217-T220 HydrophobicContact CG-CG2 3.77Å; P217-T220 PolarHBondContact O-OG1 2.8Å; T220-F343 WeakPolarHBondContact OG1-CB 3.38Å |
| 221 | G | 85.4 | Confident | 87.9 | Confident | 17 Ų | 17 | 20.3 Ų | 20.3 | 18% | 0.175 | 12% | 0.116 | C | C | . | . | trans | 87.6 | 23 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G219 T223 L224 C225 | G219-G221 VanDerWaalsContact C-N 3.33Å; G221-T223 PolarHBondContact O-N 3.41Å; G221-L224 WeakPolarHBondContact O-CA 3.42Å; G221-L224 WeakPolarHBondContact O-CB 3.32Å; G221-L224 PolarHBondContact O-N 3.42Å; G221-C225 PolarHBondContact O-N 2.75Å; G221-C225 PolarHBondContact O-SG 3.01Å | ||
| 222 | K | 90.1 | Very high | 87.7 | Confident | 10 Ų | 10 | 27.4 Ų | 27.4 | 4% | 0.043 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -50.5 | -53.1 | 173.9 | -61.2 | -174.5 | -68.9 | -89.5 | 0 | 112.6 | L214 G216 P217 L224 C225 A226 A320 T321 N322 F343 | L214-K222 HydrophobicContact CB-CB 4.47Å; L214-K222 HydrophobicContact CB-CD 4.33Å; L214-K222 HydrophobicContact CB-CG 4.44Å; G216-K222 PolarHBondContact O-NZ 3.21Å; P217-K222 PolarHBondContact O-NZ 2.84Å; K222-L224 VanDerWaalsContact C-N 3.32Å; K222-L224 PolarHBondContact O-N 3.27Å; K222-C225 PolarHBondContact O-N 2.68Å; K222-A226 PolarHBondContact O-N 3Å; K222-A226 VanDerWaalsContact O-N 3.1Å; K222-A320 HydrophobicContact CB-CB 4.44Å; K222-T321 WeakPolarHBondContact CE-O 3.32Å; K222-N322 VanDerWaalsContact CE-OD1 3.32Å; K222-N322 WeakPolarHBondContact CE-OD1 3.28Å; K222-N322 PolarHBondContact NZ-OD1 2.95Å; K222-F343 HydrophobicContact CD-CD2 4.39Å; K222-F343 HydrophobicContact CG-CB 4.28Å; K222-F343 HydrophobicContact CG-CD2 3.76Å; K222-F343 HydrophobicContact CG-CE2 4.22Å; K222-F343 HydrophobicContact CG-CG 3.96Å |
| 223 | T | 87.6 | Confident | 87.1 | Confident | 49 Ų | 49 | 28.1 Ų | 28.1 | 30% | 0.301 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.2 | -34.1 | 176.7 | -44.8 | 0 | 0 | 0 | 0 | 112.3 | G221 A226 R227 F273 D275 | G221-T223 PolarHBondContact O-N 3.41Å; T223-A226 PolarHBondContact O-N 3.41Å; T223-R227 WeakPolarHBondContact O-CG 3.43Å; T223-R227 PolarHBondContact O-N 3.39Å; T223-R227 VanDerWaalsContact O-N 3.11Å; T223-F273 HydrophobicContact CG2-CE1 4.22Å; T223-D275 VanDerWaalsContact CG2-OD2 3.31Å; T223-D275 WeakPolarHBondContact CG2-OD2 3.33Å; T223-D275 PolarHBondContact OG1-OD2 3.07Å |
| 224 | L | 88.1 | Confident | 86.4 | Confident | 78 Ų | 78 | 33.2 Ų | 33.2 | 41% | 0.408 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66.7 | -41.2 | 175.7 | -70.3 | 175.4 | 0 | 0 | 0 | 111.6 | V172 G221 K222 R227 A228 | V172-L224 HydrophobicContact CG1-CD2 4.42Å; G221-L224 WeakPolarHBondContact O-CA 3.42Å; G221-L224 WeakPolarHBondContact O-CB 3.32Å; G221-L224 PolarHBondContact O-N 3.42Å; K222-L224 VanDerWaalsContact C-N 3.32Å; K222-L224 PolarHBondContact O-N 3.27Å; L224-R227 PolarHBondContact O-N 2.92Å; L224-A228 WeakPolarHBondContact O-CB 3.23Å; L224-A228 PolarHBondContact O-N 3.49Å |
| 225 | C | 88.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 176.6 | -64.6 | 0 | 0 | 0 | 0 | 111.5 | V177 L187 G221 K222 R227 A228 V229 F343 | V177-C225 VanDerWaalsContact CG1-SG 3.52Å; L187-C225 HydrophobicContact CD2-CB 4Å; G221-C225 PolarHBondContact O-N 2.75Å; G221-C225 PolarHBondContact O-SG 3.01Å; K222-C225 PolarHBondContact O-N 2.68Å; C225-R227 VanDerWaalsContact C-N 3.32Å; C225-R227 PolarHBondContact O-N 2.75Å; C225-A228 PolarHBondContact O-N 2.91Å; C225-V229 VanDerWaalsContact O-CG2 3.25Å; C225-V229 WeakPolarHBondContact O-CG2 3.13Å; C225-V229 PolarHBondContact O-N 2.81Å; C225-F343 HydrophobicContact CB-CE1 4.45Å; C225-F343 HydrophobicContact CB-CZ 4.03Å; C225-F343 WeakPolarHBondContact SG-CE1 3.22Å |
| 226 | A | 85.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K222 T223 V229 A230 F273 | K222-A226 PolarHBondContact O-N 3Å; K222-A226 VanDerWaalsContact O-N 3.1Å; T223-A226 PolarHBondContact O-N 3.41Å; A226-V229 PolarHBondContact O-N 2.65Å; A226-A230 PolarHBondContact O-N 3.06Å; A226-A230 VanDerWaalsContact O-N 3.09Å; A226-F273 HydrophobicContact CB-CD1 4.09Å; A226-F273 HydrophobicContact CB-CD2 3.55Å; A226-F273 HydrophobicContact CB-CE1 3.93Å; A226-F273 HydrophobicContact CB-CE2 3.35Å; A226-F273 HydrophobicContact CB-CG 3.93Å; A226-F273 HydrophobicContact CB-CZ 3.56Å |
| 227 | R | 85.4 | Confident | 84.9 | Confident | 104 Ų | 104 | 34.7 Ų | 34.7 | 39% | 0.392 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.6 | -41.7 | 174.8 | -70.2 | 180 | 77 | 179.9 | 3.6 | 112.4 | P170 V172 T223 L224 C225 V229 A230 N231 | P170-R227 HydrophobicContact CB-CB 4Å; P170-R227 HydrophobicContact CB-CG 4.22Å; P170-R227 HydrophobicContact CG-CB 4.12Å; P170-R227 HydrophobicContact CG-CG 4.49Å; P170-R227 VanDerWaalsContact CG-O 3.3Å; P170-R227 WeakPolarHBondContact CG-O 3.32Å; V172-R227 HydrophobicContact CB-CB 4.16Å; V172-R227 HydrophobicContact CG2-CB 4.3Å; T223-R227 WeakPolarHBondContact O-CG 3.43Å; T223-R227 PolarHBondContact O-N 3.39Å; T223-R227 VanDerWaalsContact O-N 3.11Å; L224-R227 PolarHBondContact O-N 2.92Å; C225-R227 VanDerWaalsContact C-N 3.32Å; C225-R227 PolarHBondContact O-N 2.75Å; R227-V229 VanDerWaalsContact C-N 3.33Å; R227-V229 PolarHBondContact O-N 2.81Å; R227-A230 PolarHBondContact O-N 3.09Å; R227-N231 PolarHBondContact O-N 3.26Å |
| 228 | A | 86.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63 | -39.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V172 Y174 V177 L224 C225 N231 R232 | V172-A228 HydrophobicContact CG1-CB 4.41Å; V172-A228 WeakPolarHBondContact O-CA 3.15Å; Y174-A228 HydrophobicContact CD1-CB 3.89Å; Y174-A228 HydrophobicContact CE1-CB 4.07Å; Y174-A228 HydrophobicContact CG-CB 4.33Å; V177-A228 HydrophobicContact CG2-CB 4.09Å; L224-A228 WeakPolarHBondContact O-CB 3.23Å; L224-A228 PolarHBondContact O-N 3.49Å; C225-A228 PolarHBondContact O-N 2.91Å; A228-N231 PolarHBondContact O-N 3.12Å; A228-R232 PolarHBondContact O-N 3.49Å |
| 229 | V | 86.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -46 | 174 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | Y174 L187 V191 C225 A226 R227 N231 R232 T233 L271 | Y174-V229 HydrophobicContact CE1-CG2 4.16Å; Y174-V229 WeakPolarHBondContact OH-CA 3.42Å; Y174-V229 WeakPolarHBondContact OH-CG2 3.39Å; L187-V229 HydrophobicContact CD2-CG2 3.4Å; L187-V229 HydrophobicContact CG-CG2 3.67Å; V191-V229 HydrophobicContact CB-CG1 3.87Å; V191-V229 HydrophobicContact CG1-CG1 3.52Å; V191-V229 HydrophobicContact CG2-CG1 4.48Å; C225-V229 VanDerWaalsContact O-CG2 3.25Å; C225-V229 WeakPolarHBondContact O-CG2 3.13Å; C225-V229 PolarHBondContact O-N 2.81Å; A226-V229 PolarHBondContact O-N 2.65Å; R227-V229 VanDerWaalsContact C-N 3.33Å; R227-V229 PolarHBondContact O-N 2.81Å; V229-N231 VanDerWaalsContact C-N 3.29Å; V229-N231 PolarHBondContact O-N 3.05Å; V229-R232 PolarHBondContact O-N 2.94Å; V229-T233 HydrophobicContact CG1-CG2 4.12Å; V229-T233 WeakPolarHBondContact O-CG2 3.47Å; V229-T233 PolarHBondContact O-N 3.45Å; V229-T233 PolarHBondContact O-OG1 2.84Å; V229-L271 HydrophobicContact CG1-CD2 4.01Å |
| 230 | A | 82.5 | Confident | 85 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -38.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P170 A226 R227 R232 F237 L271 | P170-A230 HydrophobicContact CG-CB 3.84Å; A226-A230 PolarHBondContact O-N 3.06Å; A226-A230 VanDerWaalsContact O-N 3.09Å; R227-A230 PolarHBondContact O-N 3.09Å; A230-R232 VanDerWaalsContact C-N 3.3Å; A230-R232 PolarHBondContact O-N 3.11Å; A230-F237 HydrophobicContact CB-CB 3.94Å; A230-F237 HydrophobicContact CB-CD1 4.11Å; A230-F237 HydrophobicContact CB-CD2 3.37Å; A230-F237 HydrophobicContact CB-CE1 4.45Å; A230-F237 HydrophobicContact CB-CE2 3.77Å; A230-F237 HydrophobicContact CB-CG 3.54Å; A230-F237 HydrophobicContact CB-CZ 4.3Å; A230-L271 HydrophobicContact CB-CD2 4.48Å |
| 231 | N | 84 | Confident | 85.2 | Confident | 43 Ų | 43 | 37.2 Ų | 37.2 | 23% | 0.23 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65 | -35.4 | 175.2 | -166.5 | 8.5 | 0 | 0 | 0 | 112.1 | P170 V172 R227 A228 V229 | P170-N231 VanDerWaalsContact O-CB 3.26Å; P170-N231 WeakPolarHBondContact O-CB 3.24Å; P170-N231 PolarHBondContact O-ND2 3.36Å; V172-N231 WeakPolarHBondContact O-CB 3.44Å; V172-N231 PolarHBondContact O-ND2 3.42Å; R227-N231 PolarHBondContact O-N 3.26Å; A228-N231 PolarHBondContact O-N 3.12Å; V229-N231 VanDerWaalsContact C-N 3.29Å; V229-N231 PolarHBondContact O-N 3.05Å |
| 232 | R | 84.2 | Confident | 85.3 | Confident | 150 Ų | 150 | 36.4 Ų | 36.4 | 57% | 0.566 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -79.1 | -34.7 | -176.3 | -171.3 | 63.5 | 173.3 | 170.2 | 2.2 | 113.7 | Y174 E192 A228 V229 A230 D234 | Y174-R232 HydrophobicContact CD2-CB 4.4Å; Y174-R232 HydrophobicContact CE2-CB 3.7Å; Y174-R232 HydrophobicContact CE2-CG 3.87Å; E192-R232 HydrophobicContact CG-CG 4.42Å; E192-R232 VanDerWaalsContact OE1-CG 3.31Å; E192-R232 WeakPolarHBondContact OE1-CG 3.26Å; E192-R232 IonicContact OE1-NE 2.65Å; E192-R232 PolarHBondContact OE1-NE 3.09Å; A228-R232 PolarHBondContact O-N 3.49Å; V229-R232 PolarHBondContact O-N 2.94Å; A230-R232 VanDerWaalsContact C-N 3.3Å; A230-R232 PolarHBondContact O-N 3.11Å; R232-D234 VanDerWaalsContact C-N 3.34Å |
| 233 | T | 78.8 | Confident | 85.1 | Confident | 15 Ų | 15 | 38.9 Ų | 38.9 | 9% | 0.092 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -83 | -9.1 | -171.2 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | V191 E192 L195 V229 A235 | V191-T233 HydrophobicContact CG1-CG2 4.31Å; E192-T233 HydrophobicContact CB-CG2 4.42Å; L195-T233 HydrophobicContact CD1-CG2 3.98Å; V229-T233 HydrophobicContact CG1-CG2 4.12Å; V229-T233 WeakPolarHBondContact O-CG2 3.47Å; V229-T233 PolarHBondContact O-N 3.45Å; V229-T233 PolarHBondContact O-OG1 2.84Å; T233-A235 PolarHBondContact O-N 2.89Å |
| 234 | D | 77.2 | Confident | 85.1 | Confident | 109 Ų | 109 | 40 Ų | 40 | 58% | 0.583 | 19% | 0.194 | S | C | * | . | trans | 49.9 | 13.7 | -175.7 | -74.9 | -31.3 | 0 | 0 | 0 | 114.5 | K169 R232 | K169-D234 WeakPolarHBondContact CE-OD1 3.34Å; K169-D234 IonicContact NZ-OD1 3.68Å; K169-D234 PolarHBondContact NZ-OD1 2.83Å; R232-D234 VanDerWaalsContact C-N 3.34Å | ||
| 235 | A | 76.3 | Confident | 84.9 | Confident | 19 Ų | 19 | 36.3 Ų | 36.3 | 16% | 0.157 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -86.6 | 159.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | L195 T233 F237 A269 | L195-A235 HydrophobicContact CD1-CB 4.47Å; T233-A235 PolarHBondContact O-N 2.89Å; A235-F237 PolarHBondContact O-N 2.84Å; A235-F237 VanDerWaalsContact O-N 3.15Å; A235-A269 HydrophobicContact CB-CB 4.28Å |
| 236 | C | 81.8 | Confident | 84.7 | Confident | 29 Ų | 29 | 39.5 Ų | 39.5 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 123.7 | 174 | 178.1 | 0 | 0 | 0 | 0 | 110 | K267 A269 C270 L271 | C236-K267 HydrophobicContact CB-CD 3.67Å; C236-K267 WeakPolarHBondContact SG-CD 3.46Å; C236-K267 PolarHBondContact SG-NZ 3.22Å; C236-A269 PolarHBondContact N-O 3.38Å; C236-C270 WeakPolarHBondContact O-CA 3.33Å; C236-L271 PolarHBondContact O-N 3.16Å |
| 237 | F | 86.5 | Confident | 84.7 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 118.7 | 177.7 | -175.9 | -112.6 | 0 | 0 | 0 | 110.5 | V166 A230 A235 R239 L271 F273 | V166-F237 HydrophobicContact CB-CD1 4.12Å; V166-F237 HydrophobicContact CG2-CD1 4.11Å; V166-F237 HydrophobicContact CG2-CE1 4.42Å; V166-F237 PolarHBondContact N-O 2.83Å; A230-F237 HydrophobicContact CB-CB 3.94Å; A230-F237 HydrophobicContact CB-CD1 4.11Å; A230-F237 HydrophobicContact CB-CD2 3.37Å; A230-F237 HydrophobicContact CB-CE1 4.45Å; A230-F237 HydrophobicContact CB-CE2 3.77Å; A230-F237 HydrophobicContact CB-CG 3.54Å; A230-F237 HydrophobicContact CB-CZ 4.3Å; A235-F237 PolarHBondContact O-N 2.84Å; A235-F237 VanDerWaalsContact O-N 3.15Å; F237-R239 HydrophobicContact CD1-CB 4.44Å; F237-R239 HydrophobicContact CE1-CB 3.81Å; F237-R239 HydrophobicContact CZ-CB 4.34Å; F237-L271 HydrophobicContact CD2-CB 4.27Å; F237-L271 HydrophobicContact CD2-CD2 3.92Å; F237-L271 HydrophobicContact CD2-CG 4.15Å; F237-L271 HydrophobicContact CE2-CD2 4.18Å; F237-L271 HydrophobicContact CE2-CG 4.45Å; F237-F273 HydrophobicContact CE2-CB 3.47Å; F237-F273 VanDerWaalsContact CE2-CB 3.47Å; F237-F273 HydrophobicContact CE2-CG 4.2Å; F237-F273 HydrophobicContact CZ-CB 3.58Å; F237-F273 AromaticContact CZ-CD1 3.91Å; F237-F273 HydrophobicContact CZ-CD1 3.91Å; F237-F273 AromaticContact CZ-CG 3.98Å; F237-F273 HydrophobicContact CZ-CG 3.98Å |
| 238 | I | 88 | Confident | 84.6 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 115.6 | 174.6 | -55.9 | 178.6 | 0 | 0 | 0 | 107.1 | V240 L260 A264 C270 L271 F273 | I238-V240 HydrophobicContact CG2-CG2 4.09Å; I238-L260 HydrophobicContact CG2-CD1 3.79Å; I238-A264 HydrophobicContact CD1-CB 4.34Å; I238-C270 WeakPolarHBondContact CD1-SG 3.5Å; I238-L271 PolarHBondContact N-O 3.19Å; I238-F273 PolarHBondContact O-N 3.14Å |
| 239 | R | 88.6 | Confident | 84.5 | Confident | 103 Ų | 103 | 54.9 Ų | 54.9 | 39% | 0.389 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.9 | 176.4 | -179.5 | 176 | 74.8 | 135.4 | 5.4 | 108.7 | V166 F237 F273 | V166-R239 HydrophobicContact CG2-CB 3.62Å; F237-R239 HydrophobicContact CD1-CB 4.44Å; F237-R239 HydrophobicContact CE1-CB 3.81Å; F237-R239 HydrophobicContact CZ-CB 4.34Å; R239-F273 HydrophobicContact CG-CD1 4.12Å |
| 240 | V | 88.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.6 | 175.9 | -174 | 0 | 0 | 0 | 0 | 108 | I238 L245 L260 F273 F274 D275 | I238-V240 HydrophobicContact CG2-CG2 4.09Å; V240-L245 HydrophobicContact CG1-CD1 3.94Å; V240-L245 HydrophobicContact CG1-CD2 3.91Å; V240-L245 HydrophobicContact CG1-CG 3.82Å; V240-L260 HydrophobicContact CG2-CD1 3.36Å; V240-L260 HydrophobicContact CG2-CD2 4.27Å; V240-L260 HydrophobicContact CG2-CG 4.46Å; V240-F273 PolarHBondContact N-O 2.9Å; V240-F274 HydrophobicContact CB-CD1 3.82Å; V240-F274 HydrophobicContact CB-CE1 4.02Å; V240-F274 HydrophobicContact CG1-CD1 3.99Å; V240-F274 HydrophobicContact CG1-CE1 4.05Å; V240-F274 HydrophobicContact CG2-CD1 4.43Å; V240-F274 HydrophobicContact CG2-CE1 4.2Å; V240-F274 CarbonylContact O-C 3.6Å; V240-F274 WeakPolarHBondContact O-CA 3.47Å; V240-D275 PolarHBondContact O-N 2.94Å |
| 241 | I | 89.4 | Confident | 84.5 | Confident | 39 Ų | 39 | 61 Ų | 61 | 20% | 0.2 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 131 | 171 | -53.3 | 175.7 | 0 | 0 | 0 | 107.2 | S243 E244 | I241-S243 VanDerWaalsContact CG2-OG 3.32Å; I241-S243 WeakPolarHBondContact CG2-OG 3.26Å; I241-S243 PolarHBondContact O-N 3.45Å; I241-S243 VanDerWaalsContact O-N 3.12Å; I241-E244 HydrophobicContact CB-CG 4.03Å; I241-E244 PolarHBondContact N-OE2 3.42Å; I241-E244 WeakPolarHBondContact O-CB 3.3Å; I241-E244 PolarHBondContact O-N 2.82Å |
| 242 | G | 86.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -55.6 | -33.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E244 L245 D275 I280 | G242-E244 VanDerWaalsContact C-N 3.32Å; G242-E244 PolarHBondContact O-N 3.24Å; G242-L245 PolarHBondContact O-N 3.37Å; G242-D275 PolarHBondContact N-O 2.99Å; G242-I280 VanDerWaalsContact O-CG2 3.24Å; G242-I280 WeakPolarHBondContact O-CG2 3.29Å |
| 243 | S | 86.6 | Confident | 84.8 | Confident | 62 Ų | 62 | 53.9 Ų | 53.9 | 43% | 0.434 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -68.1 | -24.7 | 175.9 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | I241 L245 V246 | I241-S243 VanDerWaalsContact CG2-OG 3.32Å; I241-S243 WeakPolarHBondContact CG2-OG 3.26Å; I241-S243 PolarHBondContact O-N 3.45Å; I241-S243 VanDerWaalsContact O-N 3.12Å; S243-L245 VanDerWaalsContact C-N 3.25Å; S243-L245 PolarHBondContact O-N 3.43Å; S243-V246 PolarHBondContact O-N 3.28Å |
| 244 | E | 86.5 | Confident | 85.3 | Confident | 72 Ų | 72 | 53.3 Ų | 53.3 | 34% | 0.336 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -71.1 | -23.3 | 176.8 | -68.7 | 174 | 161.2 | 0 | 0 | 112.4 | M164 I241 G242 V246 Q247 | M164-E244 HydrophobicContact CE-CB 3.94Å; I241-E244 HydrophobicContact CB-CG 4.03Å; I241-E244 PolarHBondContact N-OE2 3.42Å; I241-E244 WeakPolarHBondContact O-CB 3.3Å; I241-E244 PolarHBondContact O-N 2.82Å; G242-E244 VanDerWaalsContact C-N 3.32Å; G242-E244 PolarHBondContact O-N 3.24Å; E244-V246 PolarHBondContact O-N 3.18Å; E244-Q247 PolarHBondContact O-NE2 2.96Å |
| 245 | L | 85.3 | Confident | 85.8 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -75.9 | -15.2 | 177.5 | -63.5 | 173.6 | 0 | 0 | 0 | 112.5 | V240 G242 S243 Q247 G253 M256 V257 F274 I280 T298 | V240-L245 HydrophobicContact CG1-CD1 3.94Å; V240-L245 HydrophobicContact CG1-CD2 3.91Å; V240-L245 HydrophobicContact CG1-CG 3.82Å; G242-L245 PolarHBondContact O-N 3.37Å; S243-L245 VanDerWaalsContact C-N 3.25Å; S243-L245 PolarHBondContact O-N 3.43Å; L245-Q247 PolarHBondContact O-N 3.21Å; L245-G253 VanDerWaalsContact O-CA 3.29Å; L245-G253 WeakPolarHBondContact O-CA 3.27Å; L245-M256 HydrophobicContact CD2-CG 4.34Å; L245-M256 HydrophobicContact CD2-SD 3.85Å; L245-V257 HydrophobicContact CD1-CG2 4.33Å; L245-V257 HydrophobicContact CD2-CG2 3.91Å; L245-F274 HydrophobicContact CD1-CD1 4.22Å; L245-F274 HydrophobicContact CD1-CE1 4.06Å; L245-I280 HydrophobicContact CB-CD1 4.46Å; L245-I280 HydrophobicContact CB-CG2 4.22Å; L245-I280 HydrophobicContact CD1-CD1 3.45Å; L245-I280 VanDerWaalsContact CD1-CD1 3.45Å; L245-I280 HydrophobicContact CD1-CG1 4.5Å; L245-T298 HydrophobicContact CB-CG2 4.11Å |
| 246 | V | 84.9 | Confident | 86.4 | Confident | 67 Ų | 67 | 52.4 Ų | 52.4 | 41% | 0.406 | 26% | 0.256 | S | S | . | . | trans | -86.5 | 107.1 | 176.7 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | S243 E244 I280 V295 | S243-V246 PolarHBondContact O-N 3.28Å; E244-V246 PolarHBondContact O-N 3.18Å; V246-I280 HydrophobicContact CG2-CG2 3.51Å; V246-V295 HydrophobicContact CG1-CG2 4.45Å; V246-V295 HydrophobicContact CG2-CG2 4.44Å | ||
| 247 | Q | 84.4 | Confident | 86.7 | Confident | 69 Ų | 69 | 51 Ų | 51 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | trans | -112.2 | 153.8 | -178.1 | -66.9 | -62 | -31.3 | 0 | 0 | 111.8 | E244 L245 Y249 E252 M256 | E244-Q247 PolarHBondContact O-NE2 2.96Å; L245-Q247 PolarHBondContact O-N 3.21Å; Q247-Y249 VanDerWaalsContact C-N 3.27Å; Q247-Y249 PolarHBondContact O-N 2.7Å; Q247-E252 HydrophobicContact CB-CB 3.98Å; Q247-E252 HydrophobicContact CB-CG 4.21Å; Q247-E252 HydrophobicContact CG-CB 4.4Å; Q247-E252 HydrophobicContact CG-CG 4.15Å; Q247-M256 HydrophobicContact CG-CE 3.86Å | ||
| 248 | K | 83.5 | Confident | 86.8 | Confident | 192 Ų | 192 | 56.4 Ų | 56.4 | 84% | 0.835 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -67.5 | -29.8 | 178.4 | -176 | 178.6 | 176.9 | -177.5 | 0 | 112.2 | ||
| 249 | Y | 84.5 | Confident | 86.7 | Confident | 166 Ų | 166 | 58 Ų | 58 | 65% | 0.651 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -90.8 | 127.7 | -178.3 | -62.7 | -80.9 | 0 | 0 | 0 | 111 | Q247 G251 E252 | Q247-Y249 VanDerWaalsContact C-N 3.27Å; Q247-Y249 PolarHBondContact O-N 2.7Å; Y249-G251 PolarHBondContact O-N 2.77Å; Y249-E252 WeakPolarHBondContact CD2-OE2 3.45Å; Y249-E252 VanDerWaalsContact O-CB 3.31Å; Y249-E252 WeakPolarHBondContact O-CB 3.35Å; Y249-E252 PolarHBondContact O-N 2.95Å; Y249-E252 VanDerWaalsContact O-N 3.13Å |
| 250 | V | 84.4 | Confident | 86.7 | Confident | 110 Ų | 110 | 53.1 Ų | 53.1 | 67% | 0.667 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 127.3 | -178.8 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | E252 E294 | V250-E252 VanDerWaalsContact C-N 3.31Å; V250-E294 WeakPolarHBondContact CA-OE2 3.42Å; V250-E294 WeakPolarHBondContact CG1-OE2 3.45Å |
| 251 | G | 84.9 | Confident | 86.6 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 23% | 0.227 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -1.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y249 R255 E294 | Y249-G251 PolarHBondContact O-N 2.77Å; G251-R255 PolarHBondContact O-N 3.36Å; G251-R255 VanDerWaalsContact O-N 3.09Å; G251-E294 WeakPolarHBondContact CA-OE1 3.02Å; G251-E294 PolarHBondContact N-OE1 3.16Å; G251-E294 PolarHBondContact N-OE2 3.01Å |
| 252 | E | 86.8 | Confident | 86.4 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.7 | -40 | 178.4 | -173.8 | 164.2 | -143.5 | 0 | 0 | 111.8 | Q247 Y249 V250 A254 R255 M256 | Q247-E252 HydrophobicContact CB-CB 3.98Å; Q247-E252 HydrophobicContact CB-CG 4.21Å; Q247-E252 HydrophobicContact CG-CB 4.4Å; Q247-E252 HydrophobicContact CG-CG 4.15Å; Y249-E252 WeakPolarHBondContact CD2-OE2 3.45Å; Y249-E252 VanDerWaalsContact O-CB 3.31Å; Y249-E252 WeakPolarHBondContact O-CB 3.35Å; Y249-E252 PolarHBondContact O-N 2.95Å; Y249-E252 VanDerWaalsContact O-N 3.13Å; V250-E252 VanDerWaalsContact C-N 3.31Å; E252-A254 PolarHBondContact O-N 3.13Å; E252-R255 PolarHBondContact O-N 3.33Å; E252-R255 IonicContact OE1-NH2 3.44Å; E252-R255 PolarHBondContact OE1-NH2 2.85Å; E252-M256 WeakPolarHBondContact O-CB 3.37Å; E252-M256 PolarHBondContact O-N 2.73Å |
| 253 | G | 87.2 | Confident | 86.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L245 R255 M256 V257 | L245-G253 VanDerWaalsContact O-CA 3.29Å; L245-G253 WeakPolarHBondContact O-CA 3.27Å; G253-R255 PolarHBondContact O-N 2.85Å; G253-M256 WeakPolarHBondContact O-CB 3.31Å; G253-M256 PolarHBondContact O-N 3.18Å; G253-V257 WeakPolarHBondContact O-CG2 3.02Å; G253-V257 PolarHBondContact O-N 3.28Å |
| 254 | A | 88.9 | Confident | 86.1 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E252 M256 V257 R258 R297 T298 E301 | E252-A254 PolarHBondContact O-N 3.13Å; A254-M256 VanDerWaalsContact C-N 3.33Å; A254-V257 PolarHBondContact O-N 3.42Å; A254-R258 PolarHBondContact O-N 2.82Å; A254-R297 HydrophobicContact CB-CG 4.23Å; A254-T298 PolarHBondContact N-OG1 3.43Å; A254-E301 HydrophobicContact CB-CB 4Å; A254-E301 HydrophobicContact CB-CG 4.15Å |
| 255 | R | 87.9 | Confident | 86 | Confident | 100 Ų | 100 | 54.8 Ų | 54.8 | 38% | 0.377 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 173.8 | -173.7 | 179.2 | 81.4 | -131.4 | -4.6 | 110.9 | D158 G251 E252 G253 V257 R258 E259 | D158-R255 IonicContact OD2-CZ 3.25Å; D158-R255 VanDerWaalsContact OD2-CZ 3.25Å; D158-R255 IonicContact OD2-NE 2.98Å; D158-R255 PolarHBondContact OD2-NE 2.95Å; D158-R255 IonicContact OD2-NH2 2.75Å; D158-R255 PolarHBondContact OD2-NH2 3.41Å; G251-R255 PolarHBondContact O-N 3.36Å; G251-R255 VanDerWaalsContact O-N 3.09Å; E252-R255 PolarHBondContact O-N 3.33Å; E252-R255 IonicContact OE1-NH2 3.44Å; E252-R255 PolarHBondContact OE1-NH2 2.85Å; G253-R255 PolarHBondContact O-N 2.85Å; R255-V257 VanDerWaalsContact C-N 3.35Å; R255-V257 PolarHBondContact O-N 3.41Å; R255-R258 WeakPolarHBondContact O-CB 3.33Å; R255-R258 PolarHBondContact O-N 3.3Å; R255-E259 WeakPolarHBondContact CD-OE1 3.47Å; R255-E259 HydrophobicContact CG-CG 4.43Å; R255-E259 WeakPolarHBondContact CG-OE1 3.41Å; R255-E259 IonicContact NE-OE1 3.56Å; R255-E259 WeakPolarHBondContact O-CG 3.46Å; R255-E259 PolarHBondContact O-N 2.9Å |
| 256 | M | 87.8 | Confident | 85.8 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.039 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.6 | -44 | 179.9 | -167.2 | -175.7 | -61.8 | 0 | 0 | 111.9 | V161 M164 L245 Q247 E252 G253 A254 R258 E259 L260 | V161-M256 HydrophobicContact CG2-CG 3.65Å; M164-M256 HydrophobicContact CE-CE 4.42Å; M164-M256 HydrophobicContact CE-SD 3.6Å; M164-M256 VanDerWaalsContact CE-SD 3.6Å; M164-M256 HydrophobicContact SD-SD 4.1Å; L245-M256 HydrophobicContact CD2-CG 4.34Å; L245-M256 HydrophobicContact CD2-SD 3.85Å; Q247-M256 HydrophobicContact CG-CE 3.86Å; E252-M256 WeakPolarHBondContact O-CB 3.37Å; E252-M256 PolarHBondContact O-N 2.73Å; G253-M256 WeakPolarHBondContact O-CB 3.31Å; G253-M256 PolarHBondContact O-N 3.18Å; A254-M256 VanDerWaalsContact C-N 3.33Å; M256-R258 PolarHBondContact O-N 3.15Å; M256-E259 PolarHBondContact O-N 2.82Å; M256-L260 VanDerWaalsContact O-CB 3.29Å; M256-L260 WeakPolarHBondContact O-CB 3.46Å; M256-L260 PolarHBondContact O-N 2.9Å |
| 257 | V | 89.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 176.1 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | L245 G253 A254 R255 L260 F261 T298 E301 L302 Q305 | L245-V257 HydrophobicContact CD1-CG2 4.33Å; L245-V257 HydrophobicContact CD2-CG2 3.91Å; G253-V257 WeakPolarHBondContact O-CG2 3.02Å; G253-V257 PolarHBondContact O-N 3.28Å; A254-V257 PolarHBondContact O-N 3.42Å; R255-V257 VanDerWaalsContact C-N 3.35Å; R255-V257 PolarHBondContact O-N 3.41Å; V257-L260 PolarHBondContact O-N 3Å; V257-F261 HydrophobicContact CG1-CD2 4.03Å; V257-F261 HydrophobicContact CG1-CE2 4.1Å; V257-F261 WeakPolarHBondContact O-CD2 3.31Å; V257-F261 PolarHBondContact O-N 2.85Å; V257-F261 VanDerWaalsContact O-N 3.12Å; V257-T298 HydrophobicContact CG2-CG2 3.86Å; V257-E301 HydrophobicContact CB-CG 4.39Å; V257-E301 HydrophobicContact CG1-CG 4.36Å; V257-L302 HydrophobicContact CG1-CB 4.08Å; V257-L302 HydrophobicContact CG1-CD1 4.09Å; V257-Q305 HydrophobicContact CG1-CG 4.31Å |
| 258 | R | 87.9 | Confident | 85.3 | Confident | 126 Ų | 126 | 64.8 Ų | 64.8 | 48% | 0.475 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 176.3 | -70.4 | -180 | -167.1 | 142.7 | 11.5 | 111.9 | A254 R255 M256 L260 F261 E262 E301 | A254-R258 PolarHBondContact O-N 2.82Å; R255-R258 WeakPolarHBondContact O-CB 3.33Å; R255-R258 PolarHBondContact O-N 3.3Å; M256-R258 PolarHBondContact O-N 3.15Å; R258-L260 VanDerWaalsContact C-N 3.28Å; R258-L260 PolarHBondContact O-N 3.05Å; R258-F261 PolarHBondContact O-N 3.17Å; R258-E262 WeakPolarHBondContact O-CB 3.26Å; R258-E262 PolarHBondContact O-N 3.43Å; R258-E301 WeakPolarHBondContact CD-OE1 3.39Å; R258-E301 HydrophobicContact CG-CG 3.88Å; R258-E301 WeakPolarHBondContact CG-OE1 3.31Å; R258-E301 IonicContact CZ-OE1 3.82Å; R258-E301 IonicContact CZ-OE2 3.36Å; R258-E301 IonicContact NE-OE1 2.85Å; R258-E301 PolarHBondContact NE-OE1 3.31Å; R258-E301 IonicContact NE-OE2 3.15Å; R258-E301 PolarHBondContact NE-OE2 3.48Å; R258-E301 VanDerWaalsContact NE-OE2 3.15Å; R258-E301 IonicContact NH2-OE1 3.93Å; R258-E301 IonicContact NH2-OE2 2.73Å; R258-E301 PolarHBondContact NH2-OE2 2.94Å |
| 259 | E | 86.1 | Confident | 85.2 | Confident | 34 Ų | 34 | 57.2 Ų | 57.2 | 16% | 0.159 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.4 | -33.6 | -178.6 | -69.4 | -176.1 | -164 | 0 | 0 | 112 | D158 V161 R255 M256 E262 M263 | D158-E259 WeakPolarHBondContact CA-OE2 3.34Å; D158-E259 WeakPolarHBondContact CB-OE2 3.43Å; D158-E259 PolarHBondContact N-OE2 3.13Å; V161-E259 HydrophobicContact CG2-CB 4.34Å; R255-E259 WeakPolarHBondContact CD-OE1 3.47Å; R255-E259 HydrophobicContact CG-CG 4.43Å; R255-E259 WeakPolarHBondContact CG-OE1 3.41Å; R255-E259 IonicContact NE-OE1 3.56Å; R255-E259 WeakPolarHBondContact O-CG 3.46Å; R255-E259 PolarHBondContact O-N 2.9Å; M256-E259 PolarHBondContact O-N 2.82Å; E259-E262 PolarHBondContact O-N 2.94Å; E259-M263 VanDerWaalsContact O-CB 3.24Å; E259-M263 WeakPolarHBondContact O-CB 3.39Å; E259-M263 PolarHBondContact O-N 2.84Å |
| 260 | L | 88.4 | Confident | 85.3 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 174 | -177.6 | 115.8 | 0 | 0 | 0 | 112.2 | V161 I238 V240 M256 V257 R258 A264 I272 F274 | V161-L260 HydrophobicContact CG1-CB 4Å; V161-L260 HydrophobicContact CG1-CD1 4.15Å; I238-L260 HydrophobicContact CG2-CD1 3.79Å; V240-L260 HydrophobicContact CG2-CD1 3.36Å; V240-L260 HydrophobicContact CG2-CD2 4.27Å; V240-L260 HydrophobicContact CG2-CG 4.46Å; M256-L260 VanDerWaalsContact O-CB 3.29Å; M256-L260 WeakPolarHBondContact O-CB 3.46Å; M256-L260 PolarHBondContact O-N 2.9Å; V257-L260 PolarHBondContact O-N 3Å; R258-L260 VanDerWaalsContact C-N 3.28Å; R258-L260 PolarHBondContact O-N 3.05Å; L260-A264 WeakPolarHBondContact O-CB 3.43Å; L260-A264 PolarHBondContact O-N 2.89Å; L260-I272 HydrophobicContact CD2-CD1 4.11Å; L260-I272 HydrophobicContact CD2-CG2 3.86Å; L260-F274 HydrophobicContact CD2-CE1 4.29Å; L260-F274 HydrophobicContact CD2-CZ 3.84Å |
| 261 | F | 87.1 | Confident | 85.4 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 1% | 0.013 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.5 | -36.6 | 176.4 | -85.1 | -84.9 | 0 | 0 | 0 | 112.1 | V257 R258 A264 R265 I272 F274 L302 Q305 L306 V317 | V257-F261 HydrophobicContact CG1-CD2 4.03Å; V257-F261 HydrophobicContact CG1-CE2 4.1Å; V257-F261 WeakPolarHBondContact O-CD2 3.31Å; V257-F261 PolarHBondContact O-N 2.85Å; V257-F261 VanDerWaalsContact O-N 3.12Å; R258-F261 PolarHBondContact O-N 3.17Å; F261-A264 PolarHBondContact O-N 3.12Å; F261-R265 VanDerWaalsContact O-CG 3.31Å; F261-R265 WeakPolarHBondContact O-CG 3.43Å; F261-R265 PolarHBondContact O-N 2.62Å; F261-I272 HydrophobicContact CD1-CD1 4.05Å; F261-I272 HydrophobicContact CE1-CD1 3.83Å; F261-I272 HydrophobicContact CZ-CD1 4.17Å; F261-F274 HydrophobicContact CE2-CZ 4.2Å; F261-F274 HydrophobicContact CZ-CE2 4.44Å; F261-F274 HydrophobicContact CZ-CZ 4.44Å; F261-L302 HydrophobicContact CE2-CD1 3.59Å; F261-L302 HydrophobicContact CZ-CD1 3.99Å; F261-Q305 HydrophobicContact CB-CB 4.39Å; F261-Q305 HydrophobicContact CB-CG 4.38Å; F261-Q305 HydrophobicContact CD1-CB 4.2Å; F261-Q305 HydrophobicContact CD2-CB 3.56Å; F261-Q305 HydrophobicContact CD2-CG 3.91Å; F261-Q305 HydrophobicContact CE1-CB 4.43Å; F261-Q305 HydrophobicContact CE2-CB 3.83Å; F261-Q305 HydrophobicContact CG-CB 3.78Å; F261-Q305 HydrophobicContact CG-CG 4.2Å; F261-Q305 HydrophobicContact CZ-CB 4.25Å; F261-L306 HydrophobicContact CZ-CD2 4Å; F261-V317 HydrophobicContact CE1-CG2 4.23Å; F261-V317 HydrophobicContact CZ-CG2 4.36Å |
| 262 | E | 84.3 | Confident | 85.7 | Confident | 92 Ų | 92 | 43 Ų | 43 | 43% | 0.43 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.6 | -46 | 176.2 | -164.5 | 62 | -163 | 0 | 0 | 111.5 | R258 E259 A264 R265 T266 | R258-E262 WeakPolarHBondContact O-CB 3.26Å; R258-E262 PolarHBondContact O-N 3.43Å; E259-E262 PolarHBondContact O-N 2.94Å; E262-A264 VanDerWaalsContact C-N 3.29Å; E262-A264 PolarHBondContact O-N 2.72Å; E262-R265 WeakPolarHBondContact O-CB 3.38Å; E262-R265 PolarHBondContact O-N 3.41Å; E262-R265 VanDerWaalsContact O-N 3.14Å; E262-R265 IonicContact OE2-NH1 2.89Å; E262-R265 PolarHBondContact OE2-NH1 2.78Å; E262-R265 VanDerWaalsContact OE2-NH1 3.11Å; E262-T266 PolarHBondContact O-N 3.29Å; E262-T266 PolarHBondContact O-OG1 3.35Å; E262-T266 VanDerWaalsContact O-OG1 3.07Å |
| 263 | M | 83.3 | Confident | 85.9 | Confident | 9 Ų | 9 | 41 Ų | 41 | 4% | 0.044 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -37.8 | 173.6 | 179.9 | 179.8 | 176.4 | 0 | 0 | 112.2 | I157 V161 T162 Q165 E259 T266 | I157-M263 HydrophobicContact CD1-CB 4.44Å; I157-M263 HydrophobicContact CD1-CG 4.29Å; I157-M263 HydrophobicContact CG2-CB 4.34Å; I157-M263 HydrophobicContact CG2-CG 4.42Å; I157-M263 HydrophobicContact CG2-SD 3.94Å; V161-M263 HydrophobicContact CG1-SD 3.98Å; T162-M263 HydrophobicContact CG2-CE 4.02Å; T162-M263 HydrophobicContact CG2-SD 4.1Å; Q165-M263 HydrophobicContact CB-CE 3.96Å; Q165-M263 HydrophobicContact CG-CE 4.36Å; E259-M263 VanDerWaalsContact O-CB 3.24Å; E259-M263 WeakPolarHBondContact O-CB 3.39Å; E259-M263 PolarHBondContact O-N 2.84Å; M263-T266 PolarHBondContact O-N 2.75Å |
| 264 | A | 84.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.2 | -35 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I238 L260 F261 E262 K267 C270 I272 I315 | I238-A264 HydrophobicContact CD1-CB 4.34Å; L260-A264 WeakPolarHBondContact O-CB 3.43Å; L260-A264 PolarHBondContact O-N 2.89Å; F261-A264 PolarHBondContact O-N 3.12Å; E262-A264 VanDerWaalsContact C-N 3.29Å; E262-A264 PolarHBondContact O-N 2.72Å; A264-K267 PolarHBondContact O-N 3.15Å; A264-C270 HydrophobicContact CB-CB 4.26Å; A264-I272 HydrophobicContact CB-CD1 3.73Å; A264-I272 HydrophobicContact CB-CG1 4.24Å; A264-I315 HydrophobicContact CB-CD1 4.12Å; A264-I315 HydrophobicContact CB-CG2 4.43Å |
| 265 | R | 83.9 | Confident | 86.2 | Confident | 103 Ų | 103 | 41.9 Ų | 41.9 | 39% | 0.389 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.2 | -33.7 | 175.2 | -73.3 | 172.2 | -172.6 | 160.2 | 1.2 | 113 | F261 E262 K267 Q305 I315 | F261-R265 VanDerWaalsContact O-CG 3.31Å; F261-R265 WeakPolarHBondContact O-CG 3.43Å; F261-R265 PolarHBondContact O-N 2.62Å; E262-R265 WeakPolarHBondContact O-CB 3.38Å; E262-R265 PolarHBondContact O-N 3.41Å; E262-R265 VanDerWaalsContact O-N 3.14Å; E262-R265 IonicContact OE2-NH1 2.89Å; E262-R265 PolarHBondContact OE2-NH1 2.78Å; E262-R265 VanDerWaalsContact OE2-NH1 3.11Å; R265-K267 PolarHBondContact O-N 3.48Å; R265-K267 VanDerWaalsContact O-N 3.16Å; R265-Q305 VanDerWaalsContact NH2-OE1 3.11Å; R265-I315 HydrophobicContact CB-CD1 4.37Å; R265-I315 HydrophobicContact CG-CD1 3.62Å |
| 266 | T | 81.6 | Confident | 86.3 | Confident | 103 Ų | 103 | 41.4 Ų | 41.4 | 63% | 0.632 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21.2 | 173.4 | -44.3 | 0 | 0 | 0 | 0 | 111.9 | E262 M263 | E262-T266 PolarHBondContact O-N 3.29Å; E262-T266 PolarHBondContact O-OG1 3.35Å; E262-T266 VanDerWaalsContact O-OG1 3.07Å; M263-T266 PolarHBondContact O-N 2.75Å |
| 267 | K | 82.1 | Confident | 86.4 | Confident | 47 Ų | 47 | 41 Ų | 41 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -94.6 | 137.7 | -179.8 | -62.9 | 179.8 | -176 | 174.5 | 0 | 111.3 | C236 A264 R265 A269 C270 | C236-K267 HydrophobicContact CB-CD 3.67Å; C236-K267 WeakPolarHBondContact SG-CD 3.46Å; C236-K267 PolarHBondContact SG-NZ 3.22Å; A264-K267 PolarHBondContact O-N 3.15Å; R265-K267 PolarHBondContact O-N 3.48Å; R265-K267 VanDerWaalsContact O-N 3.16Å; K267-A269 VanDerWaalsContact C-N 3.33Å; K267-A269 PolarHBondContact O-N 3.15Å; K267-C270 HydrophobicContact CB-CB 4.27Å |
| 268 | K | 75.9 | Confident | 86.4 | Confident | 197 Ų | 197 | 43 Ų | 43 | 86% | 0.857 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -63.5 | -33.8 | -179 | -68.6 | -174.8 | 178.1 | -178.5 | 0 | 114.1 | N314 | K268-N314 WeakPolarHBondContact O-CB 3.27Å; K268-N314 PolarHBondContact O-ND2 3.2Å |
| 269 | A | 82.1 | Confident | 86.3 | Confident | 34 Ų | 34 | 39.3 Ų | 39.3 | 28% | 0.281 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -147.1 | 120.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | L195 A235 C236 K267 | L195-A269 HydrophobicContact CD2-CB 4.24Å; A235-A269 HydrophobicContact CB-CB 4.28Å; C236-A269 PolarHBondContact N-O 3.38Å; K267-A269 VanDerWaalsContact C-N 3.33Å; K267-A269 PolarHBondContact O-N 3.15Å |
| 270 | C | 85.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 134.9 | -174.8 | -166.9 | 0 | 0 | 0 | 0 | 111.2 | C236 I238 A264 K267 N314 I315 K316 | C236-C270 WeakPolarHBondContact O-CA 3.33Å; I238-C270 WeakPolarHBondContact CD1-SG 3.5Å; A264-C270 HydrophobicContact CB-CB 4.26Å; K267-C270 HydrophobicContact CB-CB 4.27Å; C270-N314 PolarHBondContact N-O 3.41Å; C270-I315 WeakPolarHBondContact O-CA 3.45Å; C270-K316 PolarHBondContact O-N 3.09Å |
| 271 | L | 87.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 114.1 | 173.6 | -173.3 | 63.4 | 0 | 0 | 0 | 108.7 | V191 V229 A230 C236 F237 I238 K316 L318 | V191-L271 HydrophobicContact CG1-CD1 3.71Å; V191-L271 HydrophobicContact CG1-CD2 4.15Å; V229-L271 HydrophobicContact CG1-CD2 4.01Å; A230-L271 HydrophobicContact CB-CD2 4.48Å; C236-L271 PolarHBondContact O-N 3.16Å; F237-L271 HydrophobicContact CD2-CB 4.27Å; F237-L271 HydrophobicContact CD2-CD2 3.92Å; F237-L271 HydrophobicContact CD2-CG 4.15Å; F237-L271 HydrophobicContact CE2-CD2 4.18Å; F237-L271 HydrophobicContact CE2-CG 4.45Å; I238-L271 PolarHBondContact N-O 3.19Å; L271-K316 WeakPolarHBondContact CA-O 3.37Å; L271-K316 HydrophobicContact CD1-CB 3.67Å; L271-L318 HydrophobicContact CD1-CD1 3.54Å; L271-L318 HydrophobicContact CD1-CG 4.06Å; L271-L318 HydrophobicContact CD2-CD1 3.71Å; L271-L318 HydrophobicContact CG-CD1 3.83Å |
| 272 | I | 90.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 119.5 | 175.5 | -53.3 | 176.1 | 0 | 0 | 0 | 107.8 | L260 F261 A264 F274 I315 K316 V317 L318 | L260-I272 HydrophobicContact CD2-CD1 4.11Å; L260-I272 HydrophobicContact CD2-CG2 3.86Å; F261-I272 HydrophobicContact CD1-CD1 4.05Å; F261-I272 HydrophobicContact CE1-CD1 3.83Å; F261-I272 HydrophobicContact CZ-CD1 4.17Å; A264-I272 HydrophobicContact CB-CD1 3.73Å; A264-I272 HydrophobicContact CB-CG1 4.24Å; I272-F274 HydrophobicContact CB-CE2 4.36Å; I272-F274 HydrophobicContact CG2-CD2 3.96Å; I272-F274 HydrophobicContact CG2-CE1 4.42Å; I272-F274 HydrophobicContact CG2-CE2 3.38Å; I272-F274 HydrophobicContact CG2-CZ 3.65Å; I272-I315 HydrophobicContact CD1-CG2 3.78Å; I272-I315 HydrophobicContact CG1-CG2 4.16Å; I272-K316 PolarHBondContact N-O 3.19Å; I272-V317 WeakPolarHBondContact O-CA 3.44Å; I272-L318 PolarHBondContact O-N 3.36Å |
| 273 | F | 91.7 | Very high | 84.9 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 113 | 176.2 | 178.8 | -116.6 | 0 | 0 | 0 | 110.5 | T223 A226 F237 I238 R239 V240 D275 L318 A320 | T223-F273 HydrophobicContact CG2-CE1 4.22Å; A226-F273 HydrophobicContact CB-CD1 4.09Å; A226-F273 HydrophobicContact CB-CD2 3.55Å; A226-F273 HydrophobicContact CB-CE1 3.93Å; A226-F273 HydrophobicContact CB-CE2 3.35Å; A226-F273 HydrophobicContact CB-CG 3.93Å; A226-F273 HydrophobicContact CB-CZ 3.56Å; F237-F273 HydrophobicContact CE2-CB 3.47Å; F237-F273 VanDerWaalsContact CE2-CB 3.47Å; F237-F273 HydrophobicContact CE2-CG 4.2Å; F237-F273 HydrophobicContact CZ-CB 3.58Å; F237-F273 AromaticContact CZ-CD1 3.91Å; F237-F273 HydrophobicContact CZ-CD1 3.91Å; F237-F273 AromaticContact CZ-CG 3.98Å; F237-F273 HydrophobicContact CZ-CG 3.98Å; I238-F273 PolarHBondContact O-N 3.14Å; R239-F273 HydrophobicContact CG-CD1 4.12Å; V240-F273 PolarHBondContact N-O 2.9Å; F273-D275 HydrophobicContact CD1-CB 4.42Å; F273-D275 HydrophobicContact CE1-CB 3.69Å; F273-D275 HydrophobicContact CZ-CB 4.07Å; F273-L318 CarbonylContact C-O 3.55Å; F273-L318 WeakPolarHBondContact CA-O 3.41Å; F273-L318 HydrophobicContact CB-CB 4.49Å; F273-L318 HydrophobicContact CD2-CB 3.64Å; F273-L318 HydrophobicContact CE2-CB 4.43Å; F273-A320 HydrophobicContact CE2-CB 3.83Å; F273-A320 HydrophobicContact CZ-CB 3.81Å |
| 274 | F | 91.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 112.2 | 170.2 | -64.6 | -82.9 | 0 | 0 | 0 | 109.2 | V240 L245 L260 F261 I272 I277 L302 V317 L318 M319 A320 | V240-F274 HydrophobicContact CB-CD1 3.82Å; V240-F274 HydrophobicContact CB-CE1 4.02Å; V240-F274 HydrophobicContact CG1-CD1 3.99Å; V240-F274 HydrophobicContact CG1-CE1 4.05Å; V240-F274 HydrophobicContact CG2-CD1 4.43Å; V240-F274 HydrophobicContact CG2-CE1 4.2Å; V240-F274 CarbonylContact O-C 3.6Å; V240-F274 WeakPolarHBondContact O-CA 3.47Å; L245-F274 HydrophobicContact CD1-CD1 4.22Å; L245-F274 HydrophobicContact CD1-CE1 4.06Å; L260-F274 HydrophobicContact CD2-CE1 4.29Å; L260-F274 HydrophobicContact CD2-CZ 3.84Å; F261-F274 HydrophobicContact CE2-CZ 4.2Å; F261-F274 HydrophobicContact CZ-CE2 4.44Å; F261-F274 HydrophobicContact CZ-CZ 4.44Å; I272-F274 HydrophobicContact CB-CE2 4.36Å; I272-F274 HydrophobicContact CG2-CD2 3.96Å; I272-F274 HydrophobicContact CG2-CE1 4.42Å; I272-F274 HydrophobicContact CG2-CE2 3.38Å; I272-F274 HydrophobicContact CG2-CZ 3.65Å; F274-I277 HydrophobicContact CB-CD1 4.12Å; F274-I277 HydrophobicContact CD1-CD1 4.42Å; F274-I277 HydrophobicContact CG-CD1 4.36Å; F274-L302 HydrophobicContact CE1-CD1 4.25Å; F274-L302 HydrophobicContact CE2-CD1 4Å; F274-L302 HydrophobicContact CZ-CD1 3.64Å; F274-V317 HydrophobicContact CD2-CG1 3.79Å; F274-V317 HydrophobicContact CE2-CG1 3.8Å; F274-L318 PolarHBondContact N-O 2.89Å; F274-M319 HydrophobicContact CB-CG 4.22Å; F274-M319 HydrophobicContact CD2-CE 3.95Å; F274-M319 HydrophobicContact CD2-CG 4.17Å; F274-M319 HydrophobicContact CE2-CE 4.25Å; F274-M319 CarbonylContact O-C 3.6Å; F274-M319 WeakPolarHBondContact O-CA 3.14Å; F274-A320 PolarHBondContact O-N 2.73Å |
| 275 | D | 90.9 | Very high | 83 | Confident | 22 Ų | 22 | 50.7 Ų | 50.7 | 12% | 0.118 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 149.4 | 170.9 | -148.2 | -12.1 | 0 | 0 | 0 | 110.1 | T223 V240 G242 F273 I277 | T223-D275 VanDerWaalsContact CG2-OD2 3.31Å; T223-D275 WeakPolarHBondContact CG2-OD2 3.33Å; T223-D275 PolarHBondContact OG1-OD2 3.07Å; V240-D275 PolarHBondContact O-N 2.94Å; G242-D275 PolarHBondContact N-O 2.99Å; F273-D275 HydrophobicContact CD1-CB 4.42Å; F273-D275 HydrophobicContact CE1-CB 3.69Å; F273-D275 HydrophobicContact CZ-CB 4.07Å; D275-I277 VanDerWaalsContact C-N 3.31Å; D275-I277 PolarHBondContact O-N 3.11Å |
| 276 | E | 89.8 | Confident | 81.8 | Confident | 89 Ų | 89 | 53.9 Ų | 53.9 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 50 | 47.8 | 179.6 | -58.3 | -174.5 | 160.8 | 0 | 0 | 113.5 | D278 A279 A320 | E276-D278 WeakPolarHBondContact CA-OD1 3.37Å; E276-D278 PolarHBondContact O-N 3.38Å; E276-D278 VanDerWaalsContact O-N 3.13Å; E276-A279 WeakPolarHBondContact O-CB 3.4Å; E276-A279 PolarHBondContact O-N 3.25Å; E276-A279 VanDerWaalsContact O-N 3.15Å; E276-A320 PolarHBondContact N-O 3.15Å |
| 277 | I | 90.3 | Very high | 80.8 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -64.7 | -16.7 | -178.8 | -167.5 | 66.3 | 0 | 0 | 0 | 112.5 | F274 D275 A279 I280 G281 L302 M319 A320 L327 | F274-I277 HydrophobicContact CB-CD1 4.12Å; F274-I277 HydrophobicContact CD1-CD1 4.42Å; F274-I277 HydrophobicContact CG-CD1 4.36Å; D275-I277 VanDerWaalsContact C-N 3.31Å; D275-I277 PolarHBondContact O-N 3.11Å; I277-A279 PolarHBondContact O-N 3.12Å; I277-I280 HydrophobicContact CD1-CD1 3.55Å; I277-I280 HydrophobicContact CD1-CG1 3.6Å; I277-I280 HydrophobicContact CG1-CG1 4.42Å; I277-I280 PolarHBondContact O-N 2.97Å; I277-I280 VanDerWaalsContact O-N 3.15Å; I277-G281 WeakPolarHBondContact O-CA 3.44Å; I277-G281 PolarHBondContact O-N 3.25Å; I277-L302 HydrophobicContact CD1-CD2 3.83Å; I277-M319 HydrophobicContact CG1-SD 4.21Å; I277-M319 HydrophobicContact CG2-CB 4.41Å; I277-A320 WeakPolarHBondContact CG2-O 3.5Å; I277-A320 PolarHBondContact N-O 2.85Å; I277-L327 HydrophobicContact CG2-CD2 3.91Å |
| 278 | D | 88 | Confident | 79.6 | Confident | 42 Ų | 42 | 57.2 Ų | 57.2 | 23% | 0.225 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -61.7 | -20.3 | 173.6 | 53.3 | -30.4 | 0 | 0 | 0 | 113.7 | E276 I280 | E276-D278 WeakPolarHBondContact CA-OD1 3.37Å; E276-D278 PolarHBondContact O-N 3.38Å; E276-D278 VanDerWaalsContact O-N 3.13Å; D278-I280 VanDerWaalsContact C-N 3.32Å; D278-I280 PolarHBondContact O-N 3.15Å |
| 279 | A | 86 | Confident | 79 | Confident | 47 Ų | 47 | 51.3 Ų | 51.3 | 39% | 0.388 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -65.9 | -31.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E276 I277 | E276-A279 WeakPolarHBondContact O-CB 3.4Å; E276-A279 PolarHBondContact O-N 3.25Å; E276-A279 VanDerWaalsContact O-N 3.15Å; I277-A279 PolarHBondContact O-N 3.12Å |
| 280 | I | 86 | Confident | 78.1 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -18.2 | -180 | 58.3 | 153.6 | 0 | 0 | 0 | 114.4 | G242 L245 V246 I277 D278 G282 V295 M299 L302 | G242-I280 VanDerWaalsContact O-CG2 3.24Å; G242-I280 WeakPolarHBondContact O-CG2 3.29Å; L245-I280 HydrophobicContact CB-CD1 4.46Å; L245-I280 HydrophobicContact CB-CG2 4.22Å; L245-I280 HydrophobicContact CD1-CD1 3.45Å; L245-I280 VanDerWaalsContact CD1-CD1 3.45Å; L245-I280 HydrophobicContact CD1-CG1 4.5Å; V246-I280 HydrophobicContact CG2-CG2 3.51Å; I277-I280 HydrophobicContact CD1-CD1 3.55Å; I277-I280 HydrophobicContact CD1-CG1 3.6Å; I277-I280 HydrophobicContact CG1-CG1 4.42Å; I277-I280 PolarHBondContact O-N 2.97Å; I277-I280 VanDerWaalsContact O-N 3.15Å; D278-I280 VanDerWaalsContact C-N 3.32Å; D278-I280 PolarHBondContact O-N 3.15Å; I280-G282 PolarHBondContact O-N 3.46Å; I280-V295 HydrophobicContact CB-CG1 4.18Å; I280-V295 HydrophobicContact CG2-CG1 4.33Å; I280-M299 WeakPolarHBondContact O-CB 3.49Å; I280-L302 HydrophobicContact CD1-CD2 4.1Å |
| 281 | G | 81.1 | Confident | 77.1 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | trans | -82.1 | 5.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I277 A283 L327 D328 | I277-G281 WeakPolarHBondContact O-CA 3.44Å; I277-G281 PolarHBondContact O-N 3.25Å; G281-A283 PolarHBondContact O-N 3.02Å; G281-L327 CarbonylContact O-C 3.6Å; G281-L327 VanDerWaalsContact O-CA 3.31Å; G281-L327 WeakPolarHBondContact O-CA 3.41Å; G281-D328 PolarHBondContact O-N 3.24Å | ||
| 282 | G | 78.6 | Confident | 76.4 | Confident | 27 Ų | 27 | 58.8 Ų | 58.8 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -53.2 | 126.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I280 M299 T326 | I280-G282 PolarHBondContact O-N 3.46Å; G282-M299 WeakPolarHBondContact O-CE 3.19Å; G282-T326 CarbonylContact C-O 3.54Å; G282-T326 VanDerWaalsContact CA-O 3.26Å; G282-T326 WeakPolarHBondContact CA-O 3.03Å |
| 283 | A | 70.6 | Confident | 75.9 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 24% | 0.24 | 39% | 0.391 | C | S | . | . | trans | -58.2 | 151.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | G281 F285 T326 | G281-A283 PolarHBondContact O-N 3.02Å; A283-F285 WeakPolarHBondContact O-CD2 3.32Å; A283-F285 PolarHBondContact O-N 2.9Å; A283-F285 VanDerWaalsContact O-N 3.09Å; A283-T326 PolarHBondContact N-O 3.41Å | ||
| 284 | R | 68.2 | Low | 75.5 | Confident | 170 Ų | 170 | 64.5 Ų | 64.5 | 64% | 0.642 | 40% | 0.396 | S | S | * | . | trans | -58.1 | 111.7 | -179.2 | -58.1 | 176.5 | -171.2 | -165.7 | -3.3 | 110.9 | D328 | R284-D328 IonicContact NE-OD2 3.11Š| ||
| 285 | F | 61.6 | Low | 75.1 | Confident | 151 Ų | 151 | 66.1 Ų | 66.1 | 66% | 0.662 | 41% | 0.406 | S | S | * | . | trans | -105.9 | 120.4 | 162.8 | -71.3 | -79 | 0 | 0 | 0 | 108.3 | A283 D287 | A283-F285 WeakPolarHBondContact O-CD2 3.32Å; A283-F285 PolarHBondContact O-N 2.9Å; A283-F285 VanDerWaalsContact O-N 3.09Å; F285-D287 PolarHBondContact O-N 3.03Å | ||
| 286 | D | 58.7 | Low | 74.8 | Confident | 170 Ų | 170 | 67.2 Ų | 67.2 | 91% | 0.909 | 41% | 0.41 | S | S | * | . | trans | -81.7 | 59.1 | 176.7 | -170.3 | 39.2 | 0 | 0 | 0 | 109.4 | ||||
| 287 | D | 59.6 | Low | 74.7 | Confident | 134 Ų | 134 | 69.1 Ų | 69.1 | 72% | 0.717 | 41% | 0.414 | S | S | * | . | trans | -104.6 | 108.8 | 170.4 | -143.5 | 20.5 | 0 | 0 | 0 | 105.5 | F285 A289 | F285-D287 PolarHBondContact O-N 3.03Å; D287-A289 PolarHBondContact O-N 3.38Å | ||
| 288 | G | 57.8 | Low | 74.6 | Confident | 87 Ų | 87 | 69.2 Ų | 69.2 | 90% | 0.897 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -61.3 | 24.8 | -161.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 289 | A | 62.5 | Low | 74.7 | Confident | 72 Ų | 72 | 67.3 Ų | 67.3 | 60% | 0.595 | 40% | 0.404 | S | S | * | . | trans | -86.5 | 115 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | D287 G291 | D287-A289 PolarHBondContact O-N 3.38Å; A289-G291 PolarHBondContact O-N 3.16Å | ||
| 290 | G | 62.9 | Low | 74.8 | Confident | 58 Ų | 58 | 68.6 Ų | 68.6 | 60% | 0.598 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 11.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 291 | G | 65.4 | Low | 75 | Confident | 56 Ų | 56 | 69.4 Ų | 69.4 | 58% | 0.577 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -37.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A289 N293 | A289-G291 PolarHBondContact O-N 3.16Å; G291-N293 PolarHBondContact O-N 2.96Å |
| 292 | D | 72.6 | Confident | 75.4 | Confident | 78 Ų | 78 | 69.4 Ų | 69.4 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -73 | -19.3 | -176.9 | -73 | -5.5 | 0 | 0 | 0 | 112.9 | E294 V295 Q296 | D292-E294 PolarHBondContact O-N 3.38Å; D292-V295 PolarHBondContact O-N 2.89Å; D292-Q296 WeakPolarHBondContact O-CB 3.4Å; D292-Q296 WeakPolarHBondContact O-CG 3.45Å; D292-Q296 PolarHBondContact O-N 3.37Å |
| 293 | N | 80.1 | Confident | 75.9 | Confident | 96 Ų | 96 | 68.5 Ų | 68.5 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.5 | -31.7 | -179.3 | -68.7 | -13.7 | 0 | 0 | 0 | 112.9 | G291 R297 | G291-N293 PolarHBondContact O-N 2.96Å; N293-R297 WeakPolarHBondContact O-CB 3.46Å; N293-R297 PolarHBondContact O-N 3.22Å |
| 294 | E | 82.2 | Confident | 76.7 | Confident | 24 Ų | 24 | 71.5 Ų | 71.5 | 11% | 0.112 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -76.5 | -42.8 | 179.7 | -178.2 | 58.4 | -162.6 | 0 | 0 | 111.9 | V250 G251 D292 Q296 R297 T298 | V250-E294 WeakPolarHBondContact CA-OE2 3.42Å; V250-E294 WeakPolarHBondContact CG1-OE2 3.45Å; G251-E294 WeakPolarHBondContact CA-OE1 3.02Å; G251-E294 PolarHBondContact N-OE1 3.16Å; G251-E294 PolarHBondContact N-OE2 3.01Å; D292-E294 PolarHBondContact O-N 3.38Å; E294-Q296 VanDerWaalsContact C-N 3.31Å; E294-Q296 PolarHBondContact O-N 2.89Å; E294-R297 PolarHBondContact O-N 2.96Å; E294-T298 PolarHBondContact O-N 3.42Å; E294-T298 PolarHBondContact O-OG1 3.12Å; E294-T298 VanDerWaalsContact O-OG1 3.08Å |
| 295 | V | 84.3 | Confident | 77.7 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 21% | 0.206 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 175.3 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | V246 I280 D292 R297 T298 M299 | V246-V295 HydrophobicContact CG1-CG2 4.45Å; V246-V295 HydrophobicContact CG2-CG2 4.44Å; I280-V295 HydrophobicContact CB-CG1 4.18Å; I280-V295 HydrophobicContact CG2-CG1 4.33Å; D292-V295 PolarHBondContact O-N 2.89Å; V295-R297 PolarHBondContact O-N 3.43Å; V295-T298 PolarHBondContact O-N 3.33Å; V295-M299 WeakPolarHBondContact O-CB 3.02Å; V295-M299 PolarHBondContact O-N 3Å |
| 296 | Q | 84.5 | Confident | 78.8 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 175.4 | -72.2 | 174.4 | 11.3 | 0 | 0 | 112.5 | D292 E294 T298 M299 L300 | D292-Q296 WeakPolarHBondContact O-CB 3.4Å; D292-Q296 WeakPolarHBondContact O-CG 3.45Å; D292-Q296 PolarHBondContact O-N 3.37Å; E294-Q296 VanDerWaalsContact C-N 3.31Å; E294-Q296 PolarHBondContact O-N 2.89Å; Q296-T298 VanDerWaalsContact C-N 3.29Å; Q296-T298 PolarHBondContact O-N 2.91Å; Q296-M299 PolarHBondContact O-N 3.45Å; Q296-L300 WeakPolarHBondContact O-CB 3.46Å; Q296-L300 VanDerWaalsContact O-CG 3.28Å; Q296-L300 WeakPolarHBondContact O-CG 3.44Å; Q296-L300 PolarHBondContact O-N 3.42Å |
| 297 | R | 87.6 | Confident | 79.8 | Confident | 129 Ų | 129 | 53.3 Ų | 53.3 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 177.3 | -174.5 | -178.8 | -68.5 | -175.9 | -1 | 111.5 | A254 N293 E294 V295 E301 | A254-R297 HydrophobicContact CB-CG 4.23Å; N293-R297 WeakPolarHBondContact O-CB 3.46Å; N293-R297 PolarHBondContact O-N 3.22Å; E294-R297 PolarHBondContact O-N 2.96Å; V295-R297 PolarHBondContact O-N 3.43Å; R297-E301 WeakPolarHBondContact O-CB 3.2Å; R297-E301 PolarHBondContact O-N 2.84Å |
| 298 | T | 88.8 | Confident | 80.2 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.3 | -40.5 | 178.4 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | L245 A254 V257 E294 V295 Q296 E301 L302 | L245-T298 HydrophobicContact CB-CG2 4.11Å; A254-T298 PolarHBondContact N-OG1 3.43Å; V257-T298 HydrophobicContact CG2-CG2 3.86Å; E294-T298 PolarHBondContact O-N 3.42Å; E294-T298 PolarHBondContact O-OG1 3.12Å; E294-T298 VanDerWaalsContact O-OG1 3.08Å; V295-T298 PolarHBondContact O-N 3.33Å; Q296-T298 VanDerWaalsContact C-N 3.29Å; Q296-T298 PolarHBondContact O-N 2.91Å; T298-E301 PolarHBondContact O-N 3.29Å; T298-L302 PolarHBondContact O-N 3.45Å |
| 299 | M | 88.9 | Confident | 80 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | 175 | -171.9 | -137.5 | -58.1 | 0 | 0 | 112.9 | I280 G282 V295 Q296 E301 L302 I303 D328 L331 | I280-M299 WeakPolarHBondContact O-CB 3.49Å; G282-M299 WeakPolarHBondContact O-CE 3.19Å; V295-M299 WeakPolarHBondContact O-CB 3.02Å; V295-M299 PolarHBondContact O-N 3Å; Q296-M299 PolarHBondContact O-N 3.45Å; M299-E301 VanDerWaalsContact C-N 3.29Å; M299-E301 PolarHBondContact O-N 2.94Å; M299-L302 WeakPolarHBondContact O-CB 3.41Å; M299-L302 PolarHBondContact O-N 3.02Å; M299-I303 HydrophobicContact CG-CD1 4.32Å; M299-I303 WeakPolarHBondContact O-CG1 3.48Å; M299-I303 PolarHBondContact O-N 2.66Å; M299-I303 HydrophobicContact SD-CD1 4.07Å; M299-D328 HydrophobicContact CE-CB 4.13Å; M299-D328 HydrophobicContact SD-CB 3.6Å; M299-D328 VanDerWaalsContact SD-CB 3.6Å; M299-L331 HydrophobicContact CG-CD1 4.31Å |
| 300 | L | 88.8 | Confident | 80.1 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 39% | 0.387 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 176.7 | -73 | 172.7 | 0 | 0 | 0 | 111.1 | Q296 I303 N304 | Q296-L300 WeakPolarHBondContact O-CB 3.46Å; Q296-L300 VanDerWaalsContact O-CG 3.28Å; Q296-L300 WeakPolarHBondContact O-CG 3.44Å; Q296-L300 PolarHBondContact O-N 3.42Å; L300-I303 WeakPolarHBondContact O-CB 3.36Å; L300-I303 PolarHBondContact O-N 3.07Å; L300-N304 WeakPolarHBondContact O-CB 3.42Å; L300-N304 PolarHBondContact O-N 3.11Å; L300-N304 PolarHBondContact O-ND2 3.31Å |
| 301 | E | 89.7 | Confident | 80.1 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 173.9 | -172.6 | 60 | -146.9 | 0 | 0 | 111.6 | A254 V257 R258 R297 T298 M299 I303 N304 Q305 | A254-E301 HydrophobicContact CB-CB 4Å; A254-E301 HydrophobicContact CB-CG 4.15Å; V257-E301 HydrophobicContact CB-CG 4.39Å; V257-E301 HydrophobicContact CG1-CG 4.36Å; R258-E301 WeakPolarHBondContact CD-OE1 3.39Å; R258-E301 HydrophobicContact CG-CG 3.88Å; R258-E301 WeakPolarHBondContact CG-OE1 3.31Å; R258-E301 IonicContact CZ-OE1 3.82Å; R258-E301 IonicContact CZ-OE2 3.36Å; R258-E301 IonicContact NE-OE1 2.85Å; R258-E301 PolarHBondContact NE-OE1 3.31Å; R258-E301 IonicContact NE-OE2 3.15Å; R258-E301 PolarHBondContact NE-OE2 3.48Å; R258-E301 VanDerWaalsContact NE-OE2 3.15Å; R258-E301 IonicContact NH2-OE1 3.93Å; R258-E301 IonicContact NH2-OE2 2.73Å; R258-E301 PolarHBondContact NH2-OE2 2.94Å; R297-E301 WeakPolarHBondContact O-CB 3.2Å; R297-E301 PolarHBondContact O-N 2.84Å; T298-E301 PolarHBondContact O-N 3.29Å; M299-E301 VanDerWaalsContact C-N 3.29Å; M299-E301 PolarHBondContact O-N 2.94Å; E301-I303 VanDerWaalsContact C-N 3.33Å; E301-I303 PolarHBondContact O-N 3.07Å; E301-N304 PolarHBondContact O-N 2.87Å; E301-N304 VanDerWaalsContact O-N 3.16Å; E301-Q305 WeakPolarHBondContact O-CG 3.46Å; E301-Q305 PolarHBondContact O-N 3.41Å; E301-Q305 PolarHBondContact OE1-NE2 3.27Å |
| 302 | L | 89.9 | Confident | 80 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.3 | -49.3 | 173.8 | 178 | 60.8 | 0 | 0 | 0 | 110.8 | V257 F261 F274 I277 I280 T298 M299 N304 Q305 L306 M319 | V257-L302 HydrophobicContact CG1-CB 4.08Å; V257-L302 HydrophobicContact CG1-CD1 4.09Å; F261-L302 HydrophobicContact CE2-CD1 3.59Å; F261-L302 HydrophobicContact CZ-CD1 3.99Å; F274-L302 HydrophobicContact CE1-CD1 4.25Å; F274-L302 HydrophobicContact CE2-CD1 4Å; F274-L302 HydrophobicContact CZ-CD1 3.64Å; I277-L302 HydrophobicContact CD1-CD2 3.83Å; I280-L302 HydrophobicContact CD1-CD2 4.1Å; T298-L302 PolarHBondContact O-N 3.45Å; M299-L302 WeakPolarHBondContact O-CB 3.41Å; M299-L302 PolarHBondContact O-N 3.02Å; L302-N304 VanDerWaalsContact C-N 3.32Å; L302-N304 PolarHBondContact O-N 2.95Å; L302-Q305 PolarHBondContact O-N 3.41Å; L302-Q305 VanDerWaalsContact O-N 3.16Å; L302-L306 HydrophobicContact CD1-CG 4.47Å; L302-L306 HydrophobicContact CG-CD1 4.5Å; L302-L306 VanDerWaalsContact O-CG 3.29Å; L302-L306 WeakPolarHBondContact O-CG 3.49Å; L302-L306 PolarHBondContact O-N 3.47Å; L302-M319 HydrophobicContact CD1-CE 4.41Å; L302-M319 HydrophobicContact CD2-CE 3.96Å; L302-M319 HydrophobicContact CG-CE 4.35Å |
| 303 | I | 89.1 | Confident | 79.8 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.036 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.4 | -47.1 | 175 | -77.3 | 166.9 | 0 | 0 | 0 | 111.8 | M299 L300 E301 Q305 L306 D307 A330 L331 R336 | M299-I303 HydrophobicContact CG-CD1 4.32Å; M299-I303 WeakPolarHBondContact O-CG1 3.48Å; M299-I303 PolarHBondContact O-N 2.66Å; M299-I303 HydrophobicContact SD-CD1 4.07Å; L300-I303 WeakPolarHBondContact O-CB 3.36Å; L300-I303 PolarHBondContact O-N 3.07Å; E301-I303 VanDerWaalsContact C-N 3.33Å; E301-I303 PolarHBondContact O-N 3.07Å; I303-Q305 VanDerWaalsContact C-N 3.3Å; I303-Q305 PolarHBondContact O-N 3.49Å; I303-L306 WeakPolarHBondContact O-CA 3.36Å; I303-L306 WeakPolarHBondContact O-CB 3.41Å; I303-L306 PolarHBondContact O-N 3.12Å; I303-D307 PolarHBondContact O-N 3.43Å; I303-A330 HydrophobicContact CD1-CB 3.96Å; I303-L331 HydrophobicContact CD1-CD2 4.17Å; I303-L331 HydrophobicContact CD1-CG 4.12Å; I303-L331 HydrophobicContact CG1-CD2 3.49Å; I303-L331 VanDerWaalsContact CG1-CD2 3.49Å; I303-L331 HydrophobicContact CG1-CG 4Å; I303-R336 VanDerWaalsContact CG2-NH2 3.28Å |
| 304 | N | 88.3 | Confident | 79.7 | Confident | 92 Ų | 92 | 57.2 Ų | 57.2 | 49% | 0.492 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 179.9 | -70.1 | -20.8 | 0 | 0 | 0 | 111.4 | L300 E301 L302 L306 D307 G308 | L300-N304 WeakPolarHBondContact O-CB 3.42Å; L300-N304 PolarHBondContact O-N 3.11Å; L300-N304 PolarHBondContact O-ND2 3.31Å; E301-N304 PolarHBondContact O-N 2.87Å; E301-N304 VanDerWaalsContact O-N 3.16Å; L302-N304 VanDerWaalsContact C-N 3.32Å; L302-N304 PolarHBondContact O-N 2.95Å; N304-L306 VanDerWaalsContact C-N 3.31Å; N304-D307 PolarHBondContact O-N 3.35Å; N304-G308 PolarHBondContact O-N 3.45Å |
| 305 | Q | 87.4 | Confident | 79.9 | Confident | 29 Ų | 29 | 56.6 Ų | 56.6 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.9 | -25.5 | 173.8 | -61.9 | -55.9 | -31.7 | 0 | 0 | 112.9 | V257 F261 R265 E301 L302 I303 | V257-Q305 HydrophobicContact CG1-CG 4.31Å; F261-Q305 HydrophobicContact CB-CB 4.39Å; F261-Q305 HydrophobicContact CB-CG 4.38Å; F261-Q305 HydrophobicContact CD1-CB 4.2Å; F261-Q305 HydrophobicContact CD2-CB 3.56Å; F261-Q305 HydrophobicContact CD2-CG 3.91Å; F261-Q305 HydrophobicContact CE1-CB 4.43Å; F261-Q305 HydrophobicContact CE2-CB 3.83Å; F261-Q305 HydrophobicContact CG-CB 3.78Å; F261-Q305 HydrophobicContact CG-CG 4.2Å; F261-Q305 HydrophobicContact CZ-CB 4.25Å; R265-Q305 VanDerWaalsContact NH2-OE1 3.11Å; E301-Q305 WeakPolarHBondContact O-CG 3.46Å; E301-Q305 PolarHBondContact O-N 3.41Å; E301-Q305 PolarHBondContact OE1-NE2 3.27Å; L302-Q305 PolarHBondContact O-N 3.41Å; L302-Q305 VanDerWaalsContact O-N 3.16Å; I303-Q305 VanDerWaalsContact C-N 3.3Å; I303-Q305 PolarHBondContact O-N 3.49Å |
| 306 | L | 85.6 | Confident | 80 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74.2 | -35.7 | 173.3 | -63.3 | 178.7 | 0 | 0 | 0 | 112.9 | F261 L302 I303 N304 R312 V317 M319 L331 R336 | F261-L306 HydrophobicContact CZ-CD2 4Å; L302-L306 HydrophobicContact CD1-CG 4.47Å; L302-L306 HydrophobicContact CG-CD1 4.5Å; L302-L306 VanDerWaalsContact O-CG 3.29Å; L302-L306 WeakPolarHBondContact O-CG 3.49Å; L302-L306 PolarHBondContact O-N 3.47Å; I303-L306 WeakPolarHBondContact O-CA 3.36Å; I303-L306 WeakPolarHBondContact O-CB 3.41Å; I303-L306 PolarHBondContact O-N 3.12Å; N304-L306 VanDerWaalsContact C-N 3.31Å; L306-R312 VanDerWaalsContact CA-CZ 3.45Å; L306-R312 WeakPolarHBondContact O-CD 3.37Å; L306-R312 PolarHBondContact O-NE 3.29Å; L306-R312 PolarHBondContact O-NH1 3.12Å; L306-V317 HydrophobicContact CD2-CB 4.42Å; L306-V317 HydrophobicContact CD2-CG1 4.21Å; L306-V317 HydrophobicContact CD2-CG2 4.02Å; L306-M319 HydrophobicContact CD1-CE 3.78Å; L306-M319 HydrophobicContact CD2-CE 4.18Å; L306-L331 HydrophobicContact CD1-CD2 3.85Å; L306-R336 HydrophobicContact CB-CB 4.41Å; L306-R336 HydrophobicContact CB-CG 4.22Å; L306-R336 HydrophobicContact CD1-CB 4.35Å |
| 307 | D | 79.2 | Confident | 80.3 | Confident | 79 Ų | 79 | 53.6 Ų | 53.6 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -88.9 | -17.9 | -177 | -94.6 | 6.5 | 0 | 0 | 0 | 114.9 | I303 N304 R336 | I303-D307 PolarHBondContact O-N 3.43Å; N304-D307 PolarHBondContact O-N 3.35Å; D307-R336 WeakPolarHBondContact OD1-CD 3.24Å; D307-R336 WeakPolarHBondContact OD1-CG 3.39Å; D307-R336 IonicContact OD1-CZ 2.67Å; D307-R336 IonicContact OD1-NE 3.38Å; D307-R336 PolarHBondContact OD1-NE 2.92Å; D307-R336 IonicContact OD1-NH2 3.96Å; D307-R336 IonicContact OD2-CZ 3.6Å; D307-R336 VanDerWaalsContact OD2-CZ 3.23Å; D307-R336 IonicContact OD2-NE 3.21Å; D307-R336 PolarHBondContact OD2-NE 3.29Å; D307-R336 VanDerWaalsContact OD2-NE 3.12Å; D307-R336 IonicContact OD2-NH2 3.8Å; D307-R336 PolarHBondContact OD2-NH2 3.03Å |
| 308 | G | 67.8 | Low | 80.5 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 26% | 0.258 | 27% | 0.266 | S | S | . | . | trans | -36.2 | 137.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N304 D310 | N304-G308 PolarHBondContact O-N 3.45Å; G308-D310 PolarHBondContact O-N 3.01Å; G308-D310 VanDerWaalsContact O-N 3.12Å | ||
| 309 | F | 54.8 | Low | 80.7 | Confident | 217 Ų | 217 | 47.4 Ų | 47.4 | 95% | 0.952 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -60.3 | -20.8 | -176.6 | -76.3 | -88 | 0 | 0 | 0 | 113.8 | ||
| 310 | D | 63.6 | Low | 80.9 | Confident | 113 Ų | 113 | 47.3 Ų | 47.3 | 60% | 0.604 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -73.9 | 134.7 | 175.3 | -66.7 | -45.5 | 0 | 0 | 0 | 111.2 | G308 R312 | G308-D310 PolarHBondContact O-N 3.01Å; G308-D310 VanDerWaalsContact O-N 3.12Å; D310-R312 PolarHBondContact O-N 3.03Å |
| 311 | P | 64.3 | Low | 81 | Confident | 121 Ų | 121 | 43.8 Ų | 43.8 | 79% | 0.786 | 25% | 0.246 | S | C | * | . | trans | -55.5 | 121.5 | 171.7 | 23.8 | -31.5 | 0 | 0 | 0 | 108.2 | G313 | P311-G313 PolarHBondContact O-N 3Š| ||
| 312 | R | 62.9 | Low | 81 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 11% | 0.113 | 25% | 0.25 | C | C | . | . | trans | -68.1 | 19.8 | -167.7 | -62.7 | 176.2 | 81.2 | -162.6 | -10.6 | 114.6 | L306 D310 I315 | L306-R312 VanDerWaalsContact CA-CZ 3.45Å; L306-R312 WeakPolarHBondContact O-CD 3.37Å; L306-R312 PolarHBondContact O-NE 3.29Å; L306-R312 PolarHBondContact O-NH1 3.12Å; D310-R312 PolarHBondContact O-N 3.03Å; R312-I315 WeakPolarHBondContact O-CB 3.28Å; R312-I315 WeakPolarHBondContact O-CG1 3.18Å; R312-I315 PolarHBondContact O-N 2.93Å | ||
| 313 | G | 68.1 | Low | 80.9 | Confident | 60 Ų | 60 | 47.8 Ų | 47.8 | 62% | 0.619 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | -142.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P311 I315 | P311-G313 PolarHBondContact O-N 3Å; G313-I315 VanDerWaalsContact C-N 3.3Å; G313-I315 PolarHBondContact O-N 3.37Å |
| 314 | N | 77.5 | Confident | 80.8 | Confident | 96 Ų | 96 | 48.7 Ų | 48.7 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 42.8 | 173.9 | -61.5 | -31.8 | 0 | 0 | 0 | 111.6 | L195 K268 C270 | L195-N314 HydrophobicContact CD2-CB 4.46Å; K268-N314 WeakPolarHBondContact O-CB 3.27Å; K268-N314 PolarHBondContact O-ND2 3.2Å; C270-N314 PolarHBondContact N-O 3.41Å |
| 315 | I | 85.8 | Confident | 80.7 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 121.2 | 174.4 | -54.4 | 170.8 | 0 | 0 | 0 | 108.3 | A264 R265 C270 I272 R312 G313 | A264-I315 HydrophobicContact CB-CD1 4.12Å; A264-I315 HydrophobicContact CB-CG2 4.43Å; R265-I315 HydrophobicContact CB-CD1 4.37Å; R265-I315 HydrophobicContact CG-CD1 3.62Å; C270-I315 WeakPolarHBondContact O-CA 3.45Å; I272-I315 HydrophobicContact CD1-CG2 3.78Å; I272-I315 HydrophobicContact CG1-CG2 4.16Å; R312-I315 WeakPolarHBondContact O-CB 3.28Å; R312-I315 WeakPolarHBondContact O-CG1 3.18Å; R312-I315 PolarHBondContact O-N 2.93Å; G313-I315 VanDerWaalsContact C-N 3.3Å; G313-I315 PolarHBondContact O-N 3.37Å |
| 316 | K | 87.7 | Confident | 80.6 | Confident | 16 Ų | 16 | 48 Ų | 48 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.6 | 174.6 | -63 | -57.1 | -175.3 | -173.5 | 0 | 109.6 | P209 C270 L271 I272 | P209-K316 PolarHBondContact O-NZ 3.49Å; C270-K316 PolarHBondContact O-N 3.09Å; L271-K316 WeakPolarHBondContact CA-O 3.37Å; L271-K316 HydrophobicContact CD1-CB 3.67Å; I272-K316 PolarHBondContact N-O 3.19Å |
| 317 | V | 90.3 | Very high | 80.7 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.2 | 179.2 | -176 | 0 | 0 | 0 | 0 | 110 | K210 G211 V212 F261 I272 F274 L306 M319 | K210-V317 PolarHBondContact O-N 3.43Å; G211-V317 VanDerWaalsContact CA-O 3.27Å; G211-V317 WeakPolarHBondContact CA-O 3.24Å; V212-V317 PolarHBondContact N-O 3.24Å; F261-V317 HydrophobicContact CE1-CG2 4.23Å; F261-V317 HydrophobicContact CZ-CG2 4.36Å; I272-V317 WeakPolarHBondContact O-CA 3.44Å; F274-V317 HydrophobicContact CD2-CG1 3.79Å; F274-V317 HydrophobicContact CE2-CG1 3.8Å; L306-V317 HydrophobicContact CD2-CB 4.42Å; L306-V317 HydrophobicContact CD2-CG1 4.21Å; L306-V317 HydrophobicContact CD2-CG2 4.02Å; V317-M319 HydrophobicContact CG1-CE 3.81Å; V317-M319 HydrophobicContact CG1-CG 4.06Å |
| 318 | L | 91.6 | Very high | 81 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.9 | 170 | -77.1 | 159.4 | 0 | 0 | 0 | 108.3 | L187 V191 V212 L271 I272 F273 F274 | L187-L318 HydrophobicContact CD1-CD2 3.51Å; V191-L318 HydrophobicContact CG2-CD1 4.42Å; V191-L318 HydrophobicContact CG2-CD2 4.25Å; V191-L318 HydrophobicContact CG2-CG 4.4Å; V212-L318 HydrophobicContact CB-CD2 3.78Å; V212-L318 HydrophobicContact CG1-CD2 4.24Å; V212-L318 HydrophobicContact CG2-CD2 4.28Å; L271-L318 HydrophobicContact CD1-CD1 3.54Å; L271-L318 HydrophobicContact CD1-CG 4.06Å; L271-L318 HydrophobicContact CD2-CD1 3.71Å; L271-L318 HydrophobicContact CG-CD1 3.83Å; I272-L318 PolarHBondContact O-N 3.36Å; F273-L318 CarbonylContact C-O 3.55Å; F273-L318 WeakPolarHBondContact CA-O 3.41Å; F273-L318 HydrophobicContact CB-CB 4.49Å; F273-L318 HydrophobicContact CD2-CB 3.64Å; F273-L318 HydrophobicContact CE2-CB 4.43Å; F274-L318 PolarHBondContact N-O 2.89Å |
| 319 | M | 92.8 | Very high | 81.9 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136 | 174 | -61.6 | -169.2 | 171.5 | 0 | 0 | 109.4 | V212 L213 L214 F274 I277 L302 L306 V317 L337 | V212-M319 PolarHBondContact O-N 2.93Å; L213-M319 CarbonylContact C-O 3.45Å; L213-M319 HydrophobicContact CD1-CB 3.89Å; L214-M319 PolarHBondContact N-O 2.88Å; F274-M319 HydrophobicContact CB-CG 4.22Å; F274-M319 HydrophobicContact CD2-CE 3.95Å; F274-M319 HydrophobicContact CD2-CG 4.17Å; F274-M319 HydrophobicContact CE2-CE 4.25Å; F274-M319 CarbonylContact O-C 3.6Å; F274-M319 WeakPolarHBondContact O-CA 3.14Å; I277-M319 HydrophobicContact CG1-SD 4.21Å; I277-M319 HydrophobicContact CG2-CB 4.41Å; L302-M319 HydrophobicContact CD1-CE 4.41Å; L302-M319 HydrophobicContact CD2-CE 3.96Å; L302-M319 HydrophobicContact CG-CE 4.35Å; L306-M319 HydrophobicContact CD1-CE 3.78Å; L306-M319 HydrophobicContact CD2-CE 4.18Å; V317-M319 HydrophobicContact CG1-CE 3.81Å; V317-M319 HydrophobicContact CG1-CG 4.06Å; M319-L337 HydrophobicContact CG-CD2 4.18Å; M319-L337 HydrophobicContact SD-CD1 3.99Å; M319-L337 HydrophobicContact SD-CD2 3.91Å; M319-L337 HydrophobicContact SD-CG 4.46Å |
| 320 | A | 92.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L214 K222 F273 F274 E276 I277 | L214-A320 HydrophobicContact CB-CB 4.39Å; L214-A320 CarbonylContact O-C 3.46Å; L214-A320 WeakPolarHBondContact O-CA 3.42Å; K222-A320 HydrophobicContact CB-CB 4.44Å; F273-A320 HydrophobicContact CE2-CB 3.83Å; F273-A320 HydrophobicContact CZ-CB 3.81Å; F274-A320 PolarHBondContact O-N 2.73Å; E276-A320 PolarHBondContact N-O 3.15Å; I277-A320 WeakPolarHBondContact CG2-O 3.5Å; I277-A320 PolarHBondContact N-O 2.85Å |
| 321 | T | 91.6 | Very high | 84.2 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | trans | -133.8 | 151.9 | 172.8 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | L213 L214 F215 K222 R323 P324 L327 | L213-T321 HydrophobicContact CD1-CG2 4.07Å; L214-T321 PolarHBondContact O-N 3.25Å; F215-T321 WeakPolarHBondContact CA-O 3.5Å; F215-T321 HydrophobicContact CB-CG2 3.64Å; K222-T321 WeakPolarHBondContact CE-O 3.32Å; T321-R323 PolarHBondContact OG1-N 3.03Å; T321-R323 PolarHBondContact OG1-O 3.45Å; T321-P324 HydrophobicContact CG2-CB 4.4Å; T321-L327 HydrophobicContact CG2-CD1 3.81Å | ||
| 322 | N | 90.6 | Very high | 85.1 | Confident | 29 Ų | 29 | 30.6 Ų | 30.6 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -93.8 | -16.4 | 166.7 | -63.5 | -50 | 0 | 0 | 0 | 112.4 | K222 Y429 N433 | K222-N322 VanDerWaalsContact CE-OD1 3.32Å; K222-N322 WeakPolarHBondContact CE-OD1 3.28Å; K222-N322 PolarHBondContact NZ-OD1 2.95Å; N322-Y429 HydrophobicContact CB-CD1 4.22Å; N322-Y429 HydrophobicContact CB-CE1 4.08Å; N322-N433 PolarHBondContact O-ND2 3.14Å; N322-N433 VanDerWaalsContact O-ND2 3.15Å; N322-N433 PolarHBondContact O-OD1 3.27Å |
| 323 | R | 87.5 | Confident | 86.2 | Confident | 73 Ų | 73 | 37.2 Ų | 37.2 | 28% | 0.275 | 21% | 0.205 | S | C | . | . | trans | -135.4 | 91.5 | -170.7 | -72.7 | -167.7 | 70.1 | -172.8 | -1.1 | 109.3 | T321 D325 T326 Y429 | T321-R323 PolarHBondContact OG1-N 3.03Å; T321-R323 PolarHBondContact OG1-O 3.45Å; R323-D325 WeakPolarHBondContact CA-OD1 3.29Å; R323-D325 VanDerWaalsContact CB-OD1 3.23Å; R323-D325 WeakPolarHBondContact CB-OD1 3.41Å; R323-D325 IonicContact CZ-OD2 2.72Å; R323-D325 IonicContact NE-OD1 3.12Å; R323-D325 PolarHBondContact NE-OD1 2.83Å; R323-D325 IonicContact NE-OD2 3.75Å; R323-D325 IonicContact NH2-OD1 3.64Å; R323-D325 IonicContact NH2-OD2 2.62Å; R323-D325 PolarHBondContact NH2-OD2 3.45Å; R323-D325 PolarHBondContact O-N 3.46Å; R323-T326 HydrophobicContact CB-CG2 4.28Å; R323-T326 VanDerWaalsContact CZ-CG2 3.41Å; R323-T326 PolarHBondContact O-OG1 3.22Å; R323-T326 VanDerWaalsContact O-OG1 3.12Å; R323-Y429 HydrophobicContact CG-CD1 4.11Å; R323-Y429 HydrophobicContact CG-CE1 3.86Å | ||
| 324 | P | 87.1 | Confident | 86.7 | Confident | 26 Ų | 26 | 39.5 Ų | 39.5 | 17% | 0.169 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -72.9 | -18.4 | 175.8 | 31.1 | -35.1 | 0 | 0 | 0 | 112.1 | F215 T321 L327 Y432 N433 | F215-P324 HydrophobicContact CB-CB 4.34Å; F215-P324 HydrophobicContact CB-CG 4.46Å; F215-P324 HydrophobicContact CD2-CB 4.37Å; F215-P324 HydrophobicContact CD2-CG 3.98Å; F215-P324 HydrophobicContact CG-CB 4.44Å; F215-P324 HydrophobicContact CG-CG 4.47Å; T321-P324 HydrophobicContact CG2-CB 4.4Å; P324-L327 PolarHBondContact O-N 2.91Å; P324-Y432 WeakPolarHBondContact CD-O 3.48Å; P324-Y432 WeakPolarHBondContact CG-O 3.44Å; P324-N433 WeakPolarHBondContact CD-OD1 3.2Å |
| 325 | D | 86.3 | Confident | 86.7 | Confident | 75 Ų | 75 | 36.7 Ų | 36.7 | 40% | 0.401 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -33.3 | 178.1 | 63.5 | -53.8 | 0 | 0 | 0 | 113.4 | R323 L327 Y432 | R323-D325 WeakPolarHBondContact CA-OD1 3.29Å; R323-D325 VanDerWaalsContact CB-OD1 3.23Å; R323-D325 WeakPolarHBondContact CB-OD1 3.41Å; R323-D325 IonicContact CZ-OD2 2.72Å; R323-D325 IonicContact NE-OD1 3.12Å; R323-D325 PolarHBondContact NE-OD1 2.83Å; R323-D325 IonicContact NE-OD2 3.75Å; R323-D325 IonicContact NH2-OD1 3.64Å; R323-D325 IonicContact NH2-OD2 2.62Å; R323-D325 PolarHBondContact NH2-OD2 3.45Å; R323-D325 PolarHBondContact O-N 3.46Å; D325-L327 VanDerWaalsContact C-N 3.31Å; D325-Y432 HydrophobicContact CB-CD1 4.24Å; D325-Y432 VanDerWaalsContact CG-CD1 3.48Å; D325-Y432 VanDerWaalsContact OD2-CD1 3.24Å; D325-Y432 WeakPolarHBondContact OD2-CD1 3.45Å |
| 326 | T | 85.4 | Confident | 86.6 | Confident | 30 Ų | 30 | 37.1 Ų | 37.1 | 18% | 0.184 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -11.8 | -179.3 | 55.5 | 0 | 0 | 0 | 0 | 113 | G282 A283 R323 | G282-T326 CarbonylContact C-O 3.54Å; G282-T326 VanDerWaalsContact CA-O 3.26Å; G282-T326 WeakPolarHBondContact CA-O 3.03Å; A283-T326 PolarHBondContact N-O 3.41Å; R323-T326 HydrophobicContact CB-CG2 4.28Å; R323-T326 VanDerWaalsContact CZ-CG2 3.41Å; R323-T326 PolarHBondContact O-OG1 3.22Å; R323-T326 VanDerWaalsContact O-OG1 3.12Å |
| 327 | L | 86.6 | Confident | 86.4 | Confident | 9 Ų | 9 | 36.5 Ų | 36.5 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -74 | 138.1 | -176 | -64.4 | -178.7 | 0 | 0 | 0 | 112.1 | L213 I277 G281 T321 P324 D325 M332 | L213-L327 HydrophobicContact CD1-CD1 4.17Å; L213-L327 HydrophobicContact CD2-CD1 4.18Å; I277-L327 HydrophobicContact CG2-CD2 3.91Å; G281-L327 CarbonylContact O-C 3.6Å; G281-L327 VanDerWaalsContact O-CA 3.31Å; G281-L327 WeakPolarHBondContact O-CA 3.41Å; T321-L327 HydrophobicContact CG2-CD1 3.81Å; P324-L327 PolarHBondContact O-N 2.91Å; D325-L327 VanDerWaalsContact C-N 3.31Å; L327-M332 HydrophobicContact CD1-SD 4.5Å |
| 328 | D | 86.8 | Confident | 86.1 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | trans | -59.3 | 128.2 | 173.8 | -169 | -66.2 | 0 | 0 | 0 | 110.5 | G281 R284 M299 A330 L331 | G281-D328 PolarHBondContact O-N 3.24Å; R284-D328 IonicContact NE-OD2 3.11Å; M299-D328 HydrophobicContact CE-CB 4.13Å; M299-D328 HydrophobicContact SD-CB 3.6Å; M299-D328 VanDerWaalsContact SD-CB 3.6Å; D328-A330 PolarHBondContact O-N 3.06Å; D328-A330 WeakPolarHBondContact OD1-CA 3.37Å; D328-A330 WeakPolarHBondContact OD1-CB 3.45Å; D328-A330 PolarHBondContact OD1-N 3.44Å; D328-L331 PolarHBondContact O-N 3.43Å | ||
| 329 | P | 84.8 | Confident | 85.9 | Confident | 95 Ų | 95 | 46 Ų | 46 | 62% | 0.617 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -23.8 | 178.8 | -27.3 | 34.9 | 0 | 0 | 0 | 114.2 | L331 M332 R333 | P329-L331 VanDerWaalsContact C-N 3.35Å; P329-M332 PolarHBondContact O-N 3.24Å; P329-R333 PolarHBondContact O-N 3.25Å |
| 330 | A | 84.8 | Confident | 85.9 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 26% | 0.256 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -39 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I303 D328 M332 R333 R336 | I303-A330 HydrophobicContact CD1-CB 3.96Å; D328-A330 PolarHBondContact O-N 3.06Å; D328-A330 WeakPolarHBondContact OD1-CA 3.37Å; D328-A330 WeakPolarHBondContact OD1-CB 3.45Å; D328-A330 PolarHBondContact OD1-N 3.44Å; A330-M332 VanDerWaalsContact C-N 3.26Å; A330-M332 PolarHBondContact O-N 3.32Å; A330-R333 WeakPolarHBondContact O-CB 3.38Å; A330-R333 PolarHBondContact O-N 3.31Å; A330-R336 WeakPolarHBondContact O-CD 3.49Å; A330-R336 PolarHBondContact O-NH1 3.08Å |
| 331 | L | 83.8 | Confident | 85.8 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -35.2 | 174.8 | -73.6 | 169.5 | 0 | 0 | 0 | 111.3 | M299 I303 L306 D328 P329 R333 L337 | M299-L331 HydrophobicContact CG-CD1 4.31Å; I303-L331 HydrophobicContact CD1-CD2 4.17Å; I303-L331 HydrophobicContact CD1-CG 4.12Å; I303-L331 HydrophobicContact CG1-CD2 3.49Å; I303-L331 VanDerWaalsContact CG1-CD2 3.49Å; I303-L331 HydrophobicContact CG1-CG 4Å; L306-L331 HydrophobicContact CD1-CD2 3.85Å; D328-L331 PolarHBondContact O-N 3.43Å; P329-L331 VanDerWaalsContact C-N 3.35Å; L331-R333 PolarHBondContact O-N 3.02Å; L331-L337 HydrophobicContact CB-CD1 4.29Å; L331-L337 WeakPolarHBondContact O-CD1 3.29Å |
| 332 | M | 82.4 | Confident | 85.7 | Confident | 43 Ų | 43 | 55.7 Ų | 55.7 | 21% | 0.212 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -3.6 | -176.7 | -66.7 | -62.4 | -88.1 | 0 | 0 | 114.8 | L213 L327 P329 A330 K340 | L213-M332 HydrophobicContact CD2-CE 3.73Å; L213-M332 HydrophobicContact CD2-SD 3.33Å; L213-M332 WeakPolarHBondContact CD2-SD 3.25Å; L327-M332 HydrophobicContact CD1-SD 4.5Å; P329-M332 PolarHBondContact O-N 3.24Å; A330-M332 VanDerWaalsContact C-N 3.26Å; A330-M332 PolarHBondContact O-N 3.32Å; M332-K340 HydrophobicContact CE-CD 3.84Å; M332-K340 PolarHBondContact O-NZ 3.28Å |
| 333 | R | 85.6 | Confident | 85.7 | Confident | 168 Ų | 168 | 54.4 Ų | 54.4 | 63% | 0.634 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -70.7 | 136.4 | -179.6 | -173.5 | 178 | -102.7 | -176.5 | -5.1 | 110.9 | P329 A330 L331 R336 | P329-R333 PolarHBondContact O-N 3.25Å; A330-R333 WeakPolarHBondContact O-CB 3.38Å; A330-R333 PolarHBondContact O-N 3.31Å; L331-R333 PolarHBondContact O-N 3.02Å; R333-R336 PolarHBondContact O-N 2.79Å |
| 334 | P | 79.6 | Confident | 85.8 | Confident | 109 Ų | 109 | 53.4 Ų | 53.4 | 71% | 0.708 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 141.4 | 171.4 | -23.8 | 33.7 | 0 | 0 | 0 | 111.8 | ||
| 335 | G | 76.2 | Confident | 85.8 | Confident | 36 Ų | 36 | 53 Ų | 53 | 37% | 0.371 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.4 | -21 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | D338 | G335-D338 VanDerWaalsContact CA-OD1 3.32Å; G335-D338 WeakPolarHBondContact CA-OD1 3.49Å; G335-D338 PolarHBondContact N-OD1 2.92Å |
| 336 | R | 84.4 | Confident | 86 | Confident | 21 Ų | 21 | 49.9 Ų | 49.9 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -61.2 | 176.5 | -61 | 170.7 | -170.8 | -177.6 | -5.7 | 111.2 | G211 I303 L306 D307 A330 R333 | G211-R336 WeakPolarHBondContact CA-O 3.36Å; G211-R336 PolarHBondContact N-O 3.37Å; I303-R336 VanDerWaalsContact CG2-NH2 3.28Å; L306-R336 HydrophobicContact CB-CB 4.41Å; L306-R336 HydrophobicContact CB-CG 4.22Å; L306-R336 HydrophobicContact CD1-CB 4.35Å; D307-R336 WeakPolarHBondContact OD1-CD 3.24Å; D307-R336 WeakPolarHBondContact OD1-CG 3.39Å; D307-R336 IonicContact OD1-CZ 2.67Å; D307-R336 IonicContact OD1-NE 3.38Å; D307-R336 PolarHBondContact OD1-NE 2.92Å; D307-R336 IonicContact OD1-NH2 3.96Å; D307-R336 IonicContact OD2-CZ 3.6Å; D307-R336 VanDerWaalsContact OD2-CZ 3.23Å; D307-R336 IonicContact OD2-NE 3.21Å; D307-R336 PolarHBondContact OD2-NE 3.29Å; D307-R336 VanDerWaalsContact OD2-NE 3.12Å; D307-R336 IonicContact OD2-NH2 3.8Å; D307-R336 PolarHBondContact OD2-NH2 3.03Å; A330-R336 WeakPolarHBondContact O-CD 3.49Å; A330-R336 PolarHBondContact O-NH1 3.08Å; R333-R336 PolarHBondContact O-N 2.79Å |
| 337 | L | 84 | Confident | 86.2 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -114.9 | 80.7 | 177.5 | -64.8 | 175.9 | 0 | 0 | 0 | 108.6 | L213 M319 L331 | L213-L337 HydrophobicContact CB-CD1 4.27Å; L213-L337 HydrophobicContact CD1-CD1 4.43Å; M319-L337 HydrophobicContact CG-CD2 4.18Å; M319-L337 HydrophobicContact SD-CD1 3.99Å; M319-L337 HydrophobicContact SD-CD2 3.91Å; M319-L337 HydrophobicContact SD-CG 4.46Å; L331-L337 HydrophobicContact CB-CD1 4.29Å; L331-L337 WeakPolarHBondContact O-CD1 3.29Å |
| 338 | D | 82.9 | Confident | 86.4 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 33% | 0.326 | 30% | 0.297 | S | S | . | . | trans | -71.4 | -33 | -173.4 | -60 | -39.6 | 0 | 0 | 0 | 112.4 | P209 K210 G211 G335 | P209-D338 HydrophobicContact CB-CB 3.97Å; K210-D338 PolarHBondContact N-OD2 3.5Å; G211-D338 PolarHBondContact O-N 3.46Å; G335-D338 VanDerWaalsContact CA-OD1 3.32Å; G335-D338 WeakPolarHBondContact CA-OD1 3.49Å; G335-D338 PolarHBondContact N-OD1 2.92Å | ||
| 339 | R | 88.8 | Confident | 86.6 | Confident | 139 Ų | 139 | 63.4 Ų | 63.4 | 53% | 0.525 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 123.7 | -176.1 | -67 | -65.8 | -166 | 174.6 | 3.7 | 110.9 | V190 P209 G211 V212 L213 | V190-R339 HydrophobicContact CG2-CB 4.1Å; V190-R339 HydrophobicContact CG2-CG 3.66Å; P209-R339 HydrophobicContact CB-CG 4.2Å; P209-R339 HydrophobicContact CG-CG 4.48Å; G211-R339 PolarHBondContact O-N 3.38Å; V212-R339 CarbonylContact C-O 3.58Å; V212-R339 VanDerWaalsContact CA-O 3.28Å; V212-R339 WeakPolarHBondContact CA-O 3.22Å; V212-R339 HydrophobicContact CG1-CB 4.48Å; V212-R339 HydrophobicContact CG2-CB 4.34Å; L213-R339 PolarHBondContact N-O 2.95Å |
| 340 | K | 90.9 | Very high | 86.9 | Confident | 103 Ų | 103 | 59.1 Ų | 59.1 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 116.9 | 176.5 | -61.2 | 174 | -176 | 174.1 | 0 | 107.1 | L213 F215 M332 | L213-K340 HydrophobicContact CB-CG 4.48Å; F215-K340 HydrophobicContact CE1-CB 4.02Å; M332-K340 HydrophobicContact CE-CD 3.84Å; M332-K340 PolarHBondContact O-NZ 3.28Å |
| 341 | I | 91.5 | Very high | 87.3 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 112.6 | -179.4 | -56.8 | 178 | 0 | 0 | 0 | 107.4 | Q183 K186 L187 V212 L213 L214 F215 F343 | Q183-I341 HydrophobicContact CB-CG2 3.75Å; Q183-I341 HydrophobicContact CG-CG2 3.94Å; K186-I341 HydrophobicContact CB-CD1 3.89Å; K186-I341 HydrophobicContact CB-CG1 4.28Å; L187-I341 HydrophobicContact CB-CD1 4Å; L187-I341 HydrophobicContact CD1-CD1 4.12Å; V212-I341 HydrophobicContact CG1-CD1 3.61Å; V212-I341 HydrophobicContact CG1-CG1 3.93Å; L213-I341 PolarHBondContact O-N 2.92Å; L214-I341 HydrophobicContact CD2-CB 3.96Å; L214-I341 HydrophobicContact CD2-CD1 4.16Å; L214-I341 HydrophobicContact CD2-CG1 4.5Å; L214-I341 HydrophobicContact CD2-CG2 4.43Å; F215-I341 PolarHBondContact N-O 3.49Å; F215-I341 VanDerWaalsContact N-O 3.15Å; I341-F343 HydrophobicContact CG2-CD2 4.47Å; I341-F343 HydrophobicContact CG2-CE2 4.1Å |
| 342 | E | 90.8 | Very high | 87.8 | Confident | 99 Ų | 99 | 59.9 Ų | 59.9 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 127.3 | 175.1 | -170 | -176.7 | 156.3 | 0 | 0 | 110.2 | Q183 F215 | Q183-E342 VanDerWaalsContact CG-O 3.28Å; Q183-E342 WeakPolarHBondContact CG-O 3.47Å; F215-E342 HydrophobicContact CD2-CG 4.27Å; F215-E342 HydrophobicContact CE1-CB 3.97Å; F215-E342 HydrophobicContact CE2-CB 3.84Å; F215-E342 HydrophobicContact CE2-CG 3.58Å; F215-E342 HydrophobicContact CZ-CB 3.48Å; F215-E342 VanDerWaalsContact CZ-CB 3.48Å; F215-E342 HydrophobicContact CZ-CG 3.78Å |
| 343 | F | 90.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | trans | -97.4 | 97.3 | 169.5 | -78.6 | -93.4 | 0 | 0 | 0 | 109.4 | C180 Q183 L214 F215 P217 T220 K222 C225 I341 | C180-F343 HydrophobicContact CB-CE1 4.32Å; Q183-F343 HydrophobicContact CB-CE1 4.17Å; Q183-F343 HydrophobicContact CB-CZ 4.29Å; L214-F343 HydrophobicContact CB-CD2 4.27Å; L214-F343 HydrophobicContact CB-CE2 3.91Å; L214-F343 HydrophobicContact CD1-CE2 4.2Å; L214-F343 HydrophobicContact CD2-CE2 3.63Å; L214-F343 HydrophobicContact CD2-CZ 4.39Å; L214-F343 HydrophobicContact CG-CE2 4.1Å; F215-F343 PolarHBondContact O-N 3.35Å; P217-F343 WeakPolarHBondContact CD-O 3.24Å; T220-F343 WeakPolarHBondContact OG1-CB 3.38Å; K222-F343 HydrophobicContact CD-CD2 4.39Å; K222-F343 HydrophobicContact CG-CB 4.28Å; K222-F343 HydrophobicContact CG-CD2 3.76Å; K222-F343 HydrophobicContact CG-CE2 4.22Å; K222-F343 HydrophobicContact CG-CG 3.96Å; C225-F343 HydrophobicContact CB-CE1 4.45Å; C225-F343 HydrophobicContact CB-CZ 4.03Å; C225-F343 WeakPolarHBondContact SG-CE1 3.22Å; I341-F343 HydrophobicContact CG2-CD2 4.47Å; I341-F343 HydrophobicContact CG2-CE2 4.1Å | ||
| 344 | S | 87.7 | Confident | 88.6 | Confident | 52 Ų | 52 | 54.5 Ų | 54.5 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 172.2 | 171.9 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 345 | L | 88.5 | Confident | 89.3 | Confident | 17 Ų | 17 | 49.3 Ų | 49.3 | 9% | 0.089 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 146.6 | 167.8 | -66.2 | 176.3 | 0 | 0 | 0 | 110.2 | P217 N379 T381 T426 M430 | P217-L345 HydrophobicContact CG-CD2 4.32Å; L345-N379 HydrophobicContact CD1-CB 3.83Å; L345-T381 HydrophobicContact CD2-CG2 3.67Å; L345-T426 HydrophobicContact CD1-CG2 4.05Å; L345-T426 HydrophobicContact CD2-CG2 3.95Å; L345-M430 HydrophobicContact CD1-CE 3.25Å; L345-M430 HydrophobicContact CD1-SD 4Å; L345-M430 HydrophobicContact CG-CE 3.82Å |
| 346 | P | 89.6 | Confident | 90 | Very high | 10 Ų | 10 | 53.3 Ų | 53.3 | 7% | 0.065 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 139.5 | -179.3 | 27.5 | -34.7 | 0 | 0 | 0 | 112 | R351 I354 S380 | P346-R351 HydrophobicContact CB-CG 4.04Å; P346-R351 HydrophobicContact CG-CG 3.77Å; P346-R351 PolarHBondContact O-NH1 3.17Å; P346-I354 HydrophobicContact CB-CD1 3.99Å; P346-I354 HydrophobicContact CG-CD1 4.02Å; P346-S380 WeakPolarHBondContact CD-O 3.25Å; P346-S380 WeakPolarHBondContact CG-O 3.49Å |
| 347 | D | 90.6 | Very high | 90.4 | Very high | 119 Ų | 119 | 53.8 Ų | 53.8 | 64% | 0.636 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -65 | 171.5 | 171.4 | -65.7 | -39.6 | 0 | 0 | 0 | 112.3 | E349 G350 R351 | D347-E349 VanDerWaalsContact C-N 3.3Å; D347-E349 PolarHBondContact O-N 3.11Å; D347-G350 CarbonylContact O-C 3.56Å; D347-G350 WeakPolarHBondContact O-CA 3.03Å; D347-G350 PolarHBondContact O-N 3.13Å; D347-R351 WeakPolarHBondContact O-CG 3.49Å; D347-R351 PolarHBondContact O-N 3.19Å |
| 348 | L | 91.1 | Very high | 90.8 | Very high | 60 Ų | 60 | 56 Ų | 56 | 31% | 0.314 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -53.1 | -48.2 | 178.4 | -177.3 | 68.7 | 0 | 0 | 0 | 112 | G350 R351 T352 A374 R375 | L348-G350 VanDerWaalsContact C-N 3.33Å; L348-G350 PolarHBondContact O-N 3.03Å; L348-R351 PolarHBondContact O-N 3.35Å; L348-T352 PolarHBondContact O-N 3.34Å; L348-T352 PolarHBondContact O-OG1 2.84Å; L348-A374 HydrophobicContact CD1-CB 3.77Å; L348-R375 HydrophobicContact CD1-CB 4.37Å; L348-R375 HydrophobicContact CD1-CG 3.62Å; L348-R375 HydrophobicContact CD2-CG 4.19Å |
| 349 | E | 91.1 | Very high | 91.1 | Very high | 157 Ų | 157 | 53.4 Ų | 53.4 | 73% | 0.734 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.1 | -40.2 | 176.4 | -63 | -170 | 172.9 | 0 | 0 | 111.9 | D347 T352 H353 | D347-E349 VanDerWaalsContact C-N 3.3Å; D347-E349 PolarHBondContact O-N 3.11Å; E349-T352 PolarHBondContact O-N 3.43Å; E349-H353 PolarHBondContact O-N 2.87Å |
| 350 | G | 91.2 | Very high | 91.1 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G179 D347 L348 H353 I354 | G179-G350 VanDerWaalsContact CA-CA 3.44Å; D347-G350 CarbonylContact O-C 3.56Å; D347-G350 WeakPolarHBondContact O-CA 3.03Å; D347-G350 PolarHBondContact O-N 3.13Å; L348-G350 VanDerWaalsContact C-N 3.33Å; L348-G350 PolarHBondContact O-N 3.03Å; G350-H353 WeakPolarHBondContact O-CB 3.43Å; G350-H353 PolarHBondContact O-N 3.11Å; G350-I354 VanDerWaalsContact O-CG1 3.29Å; G350-I354 WeakPolarHBondContact O-CG1 3.46Å; G350-I354 PolarHBondContact O-N 3.44Å |
| 351 | R | 92.9 | Very high | 91 | Very high | 30 Ų | 30 | 57.4 Ų | 57.4 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 175.2 | -66.6 | -165.5 | -64.9 | -91.3 | 8.8 | 111.7 | P346 D347 L348 H353 I354 F355 A374 C377 I385 | P346-R351 HydrophobicContact CB-CG 4.04Å; P346-R351 HydrophobicContact CG-CG 3.77Å; P346-R351 PolarHBondContact O-NH1 3.17Å; D347-R351 WeakPolarHBondContact O-CG 3.49Å; D347-R351 PolarHBondContact O-N 3.19Å; L348-R351 PolarHBondContact O-N 3.35Å; R351-H353 VanDerWaalsContact C-N 3.26Å; R351-H353 PolarHBondContact O-N 2.97Å; R351-I354 PolarHBondContact O-N 2.75Å; R351-F355 VanDerWaalsContact O-CD2 3.24Å; R351-F355 WeakPolarHBondContact O-CD2 3.47Å; R351-F355 PolarHBondContact O-N 3.05Å; R351-A374 HydrophobicContact CB-CB 3.92Å; R351-A374 PolarHBondContact NE-O 3.32Å; R351-A374 PolarHBondContact NH2-O 2.91Å; R351-C377 VanDerWaalsContact CD-O 3.31Å; R351-C377 WeakPolarHBondContact CD-O 3.47Å; R351-C377 PolarHBondContact NE-O 3.03Å; R351-I385 HydrophobicContact CB-CD1 3.82Å; R351-I385 HydrophobicContact CG-CD1 3.58Å |
| 352 | T | 93.2 | Very high | 91 | Very high | 18 Ų | 18 | 59.4 Ų | 59.4 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59 | -39.7 | 174.3 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | L348 E349 F355 K356 F370 A374 | L348-T352 PolarHBondContact O-N 3.34Å; L348-T352 PolarHBondContact O-OG1 2.84Å; E349-T352 PolarHBondContact O-N 3.43Å; T352-F355 PolarHBondContact O-N 2.78Å; T352-K356 HydrophobicContact CG2-CD 4.49Å; T352-K356 WeakPolarHBondContact O-CG 3.38Å; T352-K356 PolarHBondContact O-N 3.17Å; T352-F370 HydrophobicContact CG2-CB 3.99Å; T352-A374 WeakPolarHBondContact OG1-CB 3.43Å |
| 353 | H | 92.2 | Very high | 91.1 | Very high | 85 Ų | 85 | 58.7 Ų | 58.7 | 39% | 0.394 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 176.3 | -165.9 | -106.6 | 0 | 0 | 0 | 112.2 | G178 E349 G350 R351 F355 K356 I357 | G178-H353 WeakPolarHBondContact CA-ND1 3.37Å; E349-H353 PolarHBondContact O-N 2.87Å; G350-H353 WeakPolarHBondContact O-CB 3.43Å; G350-H353 PolarHBondContact O-N 3.11Å; R351-H353 VanDerWaalsContact C-N 3.26Å; R351-H353 PolarHBondContact O-N 2.97Å; H353-F355 VanDerWaalsContact C-N 3.34Å; H353-F355 PolarHBondContact O-N 2.92Å; H353-K356 WeakPolarHBondContact O-CB 3.31Å; H353-K356 PolarHBondContact O-N 3.21Å; H353-K356 VanDerWaalsContact O-N 3.13Å; H353-I357 WeakPolarHBondContact O-CG1 3.33Å; H353-I357 PolarHBondContact O-N 3.21Å |
| 354 | I | 92.9 | Very high | 91.1 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 7% | 0.072 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61 | -43 | 177 | -63.9 | 162.8 | 0 | 0 | 0 | 110.9 | P346 G350 R351 K356 I357 H358 I385 | P346-I354 HydrophobicContact CB-CD1 3.99Å; P346-I354 HydrophobicContact CG-CD1 4.02Å; G350-I354 VanDerWaalsContact O-CG1 3.29Å; G350-I354 WeakPolarHBondContact O-CG1 3.46Å; G350-I354 PolarHBondContact O-N 3.44Å; R351-I354 PolarHBondContact O-N 2.75Å; I354-K356 VanDerWaalsContact C-N 3.33Å; I354-K356 PolarHBondContact O-N 3.09Å; I354-I357 PolarHBondContact O-N 3.44Å; I354-H358 PolarHBondContact O-CD2 2.98Å; I354-H358 PolarHBondContact O-N 3.03Å; I354-H358 VanDerWaalsContact O-N 3.12Å; I354-I385 HydrophobicContact CB-CG2 4.23Å; I354-I385 HydrophobicContact CD1-CD1 4.3Å; I354-I385 HydrophobicContact CG2-CB 4.04Å; I354-I385 HydrophobicContact CG2-CD1 4.5Å; I354-I385 HydrophobicContact CG2-CG2 3.63Å |
| 355 | F | 93.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 173.6 | -85.7 | -64.9 | 0 | 0 | 0 | 112.1 | R351 T352 H353 I357 H358 A359 F370 L373 A374 I385 V388 C389 | R351-F355 VanDerWaalsContact O-CD2 3.24Å; R351-F355 WeakPolarHBondContact O-CD2 3.47Å; R351-F355 PolarHBondContact O-N 3.05Å; T352-F355 PolarHBondContact O-N 2.78Å; H353-F355 VanDerWaalsContact C-N 3.34Å; H353-F355 PolarHBondContact O-N 2.92Å; F355-I357 PolarHBondContact O-N 2.74Å; F355-H358 PolarHBondContact O-N 3.43Å; F355-A359 WeakPolarHBondContact O-CB 3.4Å; F355-A359 PolarHBondContact O-N 3.1Å; F355-F370 HydrophobicContact CB-CB 4.31Å; F355-F370 HydrophobicContact CB-CD1 3.77Å; F355-F370 HydrophobicContact CB-CE1 4.49Å; F355-F370 HydrophobicContact CB-CG 4.28Å; F355-F370 HydrophobicContact CG-CD1 4.41Å; F355-L373 HydrophobicContact CE2-CB 4.22Å; F355-L373 HydrophobicContact CZ-CB 4.25Å; F355-A374 HydrophobicContact CD2-CB 4.45Å; F355-I385 HydrophobicContact CD1-CG2 3.7Å; F355-I385 HydrophobicContact CD2-CG2 3.84Å; F355-I385 HydrophobicContact CE1-CG2 3.65Å; F355-I385 HydrophobicContact CE2-CG1 4.35Å; F355-I385 HydrophobicContact CE2-CG2 3.79Å; F355-I385 HydrophobicContact CG-CG2 3.79Å; F355-I385 HydrophobicContact CZ-CB 4.49Å; F355-I385 HydrophobicContact CZ-CG1 4.42Å; F355-I385 HydrophobicContact CZ-CG2 3.69Å; F355-V388 HydrophobicContact CE1-CB 4.27Å; F355-V388 HydrophobicContact CE1-CG1 3.84Å; F355-V388 HydrophobicContact CZ-CG1 4.17Å; F355-C389 VanDerWaalsContact CD1-SG 3.59Å |
| 356 | K | 92.2 | Very high | 91.3 | Very high | 120 Ų | 120 | 74.1 Ų | 74.1 | 52% | 0.522 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 178 | -73.9 | 175.2 | 179 | 180 | 0 | 112.5 | T352 H353 I354 A359 R360 F370 | T352-K356 HydrophobicContact CG2-CD 4.49Å; T352-K356 WeakPolarHBondContact O-CG 3.38Å; T352-K356 PolarHBondContact O-N 3.17Å; H353-K356 WeakPolarHBondContact O-CB 3.31Å; H353-K356 PolarHBondContact O-N 3.21Å; H353-K356 VanDerWaalsContact O-N 3.13Å; I354-K356 VanDerWaalsContact C-N 3.33Å; I354-K356 PolarHBondContact O-N 3.09Å; K356-A359 PolarHBondContact O-N 3.22Å; K356-R360 PolarHBondContact O-N 3.47Å; K356-R360 VanDerWaalsContact O-N 3.11Å; K356-F370 HydrophobicContact CG-CD2 3.97Å; K356-F370 HydrophobicContact CG-CE2 4.39Å; K356-F370 HydrophobicContact CG-CG 4.41Å |
| 357 | I | 92.4 | Very high | 91.2 | Very high | 31 Ų | 31 | 79.8 Ų | 79.8 | 16% | 0.159 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.3 | -51.8 | 177.2 | -68.1 | 165.6 | 0 | 0 | 0 | 109.9 | S175 H353 I354 F355 A359 R360 | S175-I357 WeakPolarHBondContact O-CD1 3.35Å; H353-I357 WeakPolarHBondContact O-CG1 3.33Å; H353-I357 PolarHBondContact O-N 3.21Å; I354-I357 PolarHBondContact O-N 3.44Å; F355-I357 PolarHBondContact O-N 2.74Å; I357-A359 PolarHBondContact O-N 3.13Å; I357-R360 WeakPolarHBondContact O-CB 3.44Å; I357-R360 PolarHBondContact O-N 3.36Å |
| 358 | H | 91.6 | Very high | 91.2 | Very high | 48 Ų | 48 | 74.7 Ų | 74.7 | 22% | 0.222 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -72.7 | -27.7 | -179.1 | -67.2 | -46.4 | 0 | 0 | 0 | 113.4 | I354 F355 R360 S361 C389 | I354-H358 PolarHBondContact O-CD2 2.98Å; I354-H358 PolarHBondContact O-N 3.03Å; I354-H358 VanDerWaalsContact O-N 3.12Å; F355-H358 PolarHBondContact O-N 3.43Å; H358-R360 VanDerWaalsContact C-N 3.29Å; H358-R360 PolarHBondContact O-N 3.41Å; H358-S361 PolarHBondContact O-OG 3.07Å; H358-S361 VanDerWaalsContact O-OG 3.06Å; H358-C389 HydrophobicContact CB-CB 4.07Å |
| 359 | A | 89.9 | Confident | 91.3 | Very high | 7 Ų | 7 | 78.5 Ų | 78.5 | 6% | 0.058 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70 | -25.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F355 K356 I357 S361 M362 V364 F370 | F355-A359 WeakPolarHBondContact O-CB 3.4Å; F355-A359 PolarHBondContact O-N 3.1Å; K356-A359 PolarHBondContact O-N 3.22Å; I357-A359 PolarHBondContact O-N 3.13Å; A359-S361 VanDerWaalsContact C-N 3.27Å; A359-S361 PolarHBondContact O-N 3.24Å; A359-M362 PolarHBondContact O-N 2.84Å; A359-V364 HydrophobicContact CB-CG1 4.27Å; A359-V364 HydrophobicContact CB-CG2 4.39Å; A359-F370 HydrophobicContact CB-CE1 3.73Å; A359-F370 HydrophobicContact CB-CE2 4.45Å; A359-F370 HydrophobicContact CB-CZ 3.48Å; A359-F370 VanDerWaalsContact CB-CZ 3.48Å |
| 360 | R | 89.3 | Confident | 91.4 | Very high | 220 Ų | 220 | 72.7 Ų | 72.7 | 83% | 0.83 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.9 | -33.5 | 179.9 | -172.7 | 179.9 | 178.5 | -172.4 | -0.3 | 113 | K356 I357 H358 M362 | K356-R360 PolarHBondContact O-N 3.47Å; K356-R360 VanDerWaalsContact O-N 3.11Å; I357-R360 WeakPolarHBondContact O-CB 3.44Å; I357-R360 PolarHBondContact O-N 3.36Å; H358-R360 VanDerWaalsContact C-N 3.29Å; H358-R360 PolarHBondContact O-N 3.41Å; R360-M362 VanDerWaalsContact C-N 3.34Å |
| 361 | S | 87.9 | Confident | 91.5 | Very high | 107 Ų | 107 | 77.3 Ų | 77.3 | 75% | 0.748 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -13.2 | 176.8 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | H358 A359 | H358-S361 PolarHBondContact O-OG 3.07Å; H358-S361 VanDerWaalsContact O-OG 3.06Å; A359-S361 VanDerWaalsContact C-N 3.27Å; A359-S361 PolarHBondContact O-N 3.24Å |
| 362 | M | 91.3 | Very high | 91.4 | Very high | 46 Ų | 46 | 78.9 Ų | 78.9 | 23% | 0.227 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -101.2 | 149.4 | -176 | -67.2 | -178.4 | 65.6 | 0 | 0 | 111.9 | A359 R360 V364 C389 | A359-M362 PolarHBondContact O-N 2.84Å; R360-M362 VanDerWaalsContact C-N 3.34Å; M362-V364 HydrophobicContact CB-CG1 4.04Å; M362-V364 PolarHBondContact O-N 2.96Å; M362-V364 VanDerWaalsContact O-N 3.13Å; M362-C389 VanDerWaalsContact CE-O 3.25Å; M362-C389 WeakPolarHBondContact CE-O 3.3Å; M362-C389 HydrophobicContact SD-CB 3.94Å |
| 363 | S | 92.6 | Very high | 91.4 | Very high | 85 Ų | 85 | 78 Ų | 78 | 59% | 0.594 | 37% | 0.369 | S | S | * | . | trans | -78.5 | 95.3 | 168.2 | -66.7 | 0 | 0 | 0 | 0 | 109.6 | I403 A404 | S363-I403 WeakPolarHBondContact O-CA 3.41Å; S363-A404 PolarHBondContact O-N 3.03Å | ||
| 364 | V | 91.8 | Very high | 91.4 | Very high | 43 Ų | 43 | 74 Ų | 74 | 26% | 0.261 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -108 | 149.6 | -179.1 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | A359 M362 I368 F409 | A359-V364 HydrophobicContact CB-CG1 4.27Å; A359-V364 HydrophobicContact CB-CG2 4.39Å; M362-V364 HydrophobicContact CB-CG1 4.04Å; M362-V364 PolarHBondContact O-N 2.96Å; M362-V364 VanDerWaalsContact O-N 3.13Å; V364-I368 HydrophobicContact CB-CD1 3.83Å; V364-I368 HydrophobicContact CG1-CD1 4.18Å; V364-F409 HydrophobicContact CG1-CE2 4.11Å; V364-F409 HydrophobicContact CG1-CZ 4.14Å |
| 365 | E | 92.6 | Very high | 91.4 | Very high | 94 Ų | 94 | 80.7 Ų | 80.7 | 44% | 0.439 | 37% | 0.374 | S | S | . | . | trans | -63.6 | 146.2 | 169.5 | -175.6 | 168.7 | -150.3 | 0 | 0 | 111 | D367 I368 I403 A404 | E365-D367 VanDerWaalsContact C-N 3.25Å; E365-D367 PolarHBondContact O-N 3.03Å; E365-I368 HydrophobicContact CB-CD1 4.28Å; E365-I368 HydrophobicContact CB-CG1 4.05Å; E365-I368 WeakPolarHBondContact O-CG1 3.36Å; E365-I403 HydrophobicContact CB-CG2 4.27Å; E365-A404 PolarHBondContact N-O 3.27Å; E365-A404 VanDerWaalsContact N-O 3.13Å | ||
| 366 | R | 87.3 | Confident | 91.3 | Very high | 256 Ų | 256 | 84.6 Ų | 84.6 | 97% | 0.966 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -24.3 | -176.7 | -69.9 | -175.2 | 177.3 | -177.3 | -0.6 | 113.4 | ||
| 367 | D | 87.9 | Confident | 91.1 | Very high | 129 Ų | 129 | 78.9 Ų | 78.9 | 69% | 0.69 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 19 | -173.8 | -156.3 | 20.7 | 0 | 0 | 0 | 113.2 | E365 R369 | E365-D367 VanDerWaalsContact C-N 3.25Å; E365-D367 PolarHBondContact O-N 3.03Å; D367-R369 PolarHBondContact O-N 3.45Å |
| 368 | I | 90.6 | Very high | 90.9 | Very high | 13 Ų | 13 | 81.1 Ų | 81.1 | 7% | 0.067 | 39% | 0.386 | C | S | . | . | trans | -75.8 | 122 | 177.6 | -61.3 | -176.8 | 0 | 0 | 0 | 110.4 | V364 E365 F370 L373 F409 | V364-I368 HydrophobicContact CB-CD1 3.83Å; V364-I368 HydrophobicContact CG1-CD1 4.18Å; E365-I368 HydrophobicContact CB-CD1 4.28Å; E365-I368 HydrophobicContact CB-CG1 4.05Å; E365-I368 WeakPolarHBondContact O-CG1 3.36Å; I368-F370 HydrophobicContact CB-CE1 4.48Å; I368-F370 HydrophobicContact CB-CZ 4.3Å; I368-F370 HydrophobicContact CG2-CD1 4.02Å; I368-F370 HydrophobicContact CG2-CE1 3.76Å; I368-F370 HydrophobicContact CG2-CZ 4.07Å; I368-F370 PolarHBondContact O-N 2.88Å; I368-L373 HydrophobicContact CG2-CD1 3.96Å; I368-F409 HydrophobicContact CD1-CD2 3.92Å; I368-F409 HydrophobicContact CD1-CE2 3.68Å | ||
| 369 | R | 93.3 | Very high | 90.6 | Very high | 140 Ų | 140 | 84.2 Ų | 84.2 | 53% | 0.528 | 40% | 0.404 | S | S | . | . | trans | -89.9 | 88.2 | 178 | -62.5 | 172.4 | -65.5 | -171.5 | -8.9 | 110.9 | D367 E371 L372 L373 E406 | D367-R369 PolarHBondContact O-N 3.45Å; R369-E371 PolarHBondContact O-N 2.93Å; R369-E371 VanDerWaalsContact O-N 3.16Å; R369-L372 HydrophobicContact CB-CB 4.09Å; R369-L372 WeakPolarHBondContact O-CB 3.42Å; R369-L372 PolarHBondContact O-N 3.04Å; R369-L373 PolarHBondContact O-N 3.25Å; R369-E406 IonicContact CZ-OE1 3.61Å; R369-E406 IonicContact CZ-OE2 3.79Å; R369-E406 IonicContact NE-OE1 2.8Å; R369-E406 PolarHBondContact NE-OE1 3.03Å; R369-E406 IonicContact NE-OE2 3.18Å; R369-E406 IonicContact NH2-OE1 3.51Å; R369-E406 PolarHBondContact NH2-OE1 3.33Å; R369-E406 IonicContact NH2-OE2 3.51Å; R369-E406 PolarHBondContact NH2-OE2 3.37Å | ||
| 370 | F | 92.8 | Very high | 90.5 | Very high | 34 Ų | 34 | 83.9 Ų | 83.9 | 15% | 0.149 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.2 | -25.1 | 177.8 | -61.6 | -65.3 | 0 | 0 | 0 | 114.2 | T352 F355 K356 A359 I368 L373 A374 | T352-F370 HydrophobicContact CG2-CB 3.99Å; F355-F370 HydrophobicContact CB-CB 4.31Å; F355-F370 HydrophobicContact CB-CD1 3.77Å; F355-F370 HydrophobicContact CB-CE1 4.49Å; F355-F370 HydrophobicContact CB-CG 4.28Å; F355-F370 HydrophobicContact CG-CD1 4.41Å; K356-F370 HydrophobicContact CG-CD2 3.97Å; K356-F370 HydrophobicContact CG-CE2 4.39Å; K356-F370 HydrophobicContact CG-CG 4.41Å; A359-F370 HydrophobicContact CB-CE1 3.73Å; A359-F370 HydrophobicContact CB-CE2 4.45Å; A359-F370 HydrophobicContact CB-CZ 3.48Å; A359-F370 VanDerWaalsContact CB-CZ 3.48Å; I368-F370 HydrophobicContact CB-CE1 4.48Å; I368-F370 HydrophobicContact CB-CZ 4.3Å; I368-F370 HydrophobicContact CG2-CD1 4.02Å; I368-F370 HydrophobicContact CG2-CE1 3.76Å; I368-F370 HydrophobicContact CG2-CZ 4.07Å; I368-F370 PolarHBondContact O-N 2.88Å; F370-L373 HydrophobicContact CD1-CD1 4.25Å; F370-A374 WeakPolarHBondContact O-CB 3.42Å; F370-A374 PolarHBondContact O-N 3.43Å |
| 371 | E | 92.6 | Very high | 90.5 | Very high | 103 Ų | 103 | 73.7 Ų | 73.7 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 175.2 | -164.3 | -176.9 | 161.9 | 0 | 0 | 111.7 | R369 A374 R375 | R369-E371 PolarHBondContact O-N 2.93Å; R369-E371 VanDerWaalsContact O-N 3.16Å; E371-A374 PolarHBondContact O-N 3.02Å; E371-R375 WeakPolarHBondContact O-CG 3.27Å; E371-R375 PolarHBondContact O-N 3.38Å; E371-R375 VanDerWaalsContact O-N 3.12Å; E371-R375 IonicContact OE1-CZ 3.6Å; E371-R375 IonicContact OE1-NE 3.89Å; E371-R375 IonicContact OE1-NH2 2.71Å; E371-R375 PolarHBondContact OE1-NH2 3.46Å |
| 372 | L | 92.2 | Very high | 90.5 | Very high | 64 Ų | 64 | 69.4 Ų | 69.4 | 34% | 0.335 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 175.1 | -179.8 | 64.3 | 0 | 0 | 0 | 110.6 | R369 A374 R375 L376 | R369-L372 HydrophobicContact CB-CB 4.09Å; R369-L372 WeakPolarHBondContact O-CB 3.42Å; R369-L372 PolarHBondContact O-N 3.04Å; L372-A374 VanDerWaalsContact C-N 3.33Å; L372-A374 PolarHBondContact O-N 3.02Å; L372-R375 PolarHBondContact O-N 2.95Å; L372-L376 HydrophobicContact CG-CD1 4.46Å; L372-L376 WeakPolarHBondContact O-CG 3.38Å; L372-L376 PolarHBondContact O-N 2.93Å |
| 373 | L | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 177.5 | -60.9 | 177 | 0 | 0 | 0 | 111.7 | F355 I368 R369 F370 R375 L376 C377 F409 L410 | F355-L373 HydrophobicContact CE2-CB 4.22Å; F355-L373 HydrophobicContact CZ-CB 4.25Å; I368-L373 HydrophobicContact CG2-CD1 3.96Å; R369-L373 PolarHBondContact O-N 3.25Å; F370-L373 HydrophobicContact CD1-CD1 4.25Å; L373-R375 VanDerWaalsContact C-N 3.29Å; L373-R375 PolarHBondContact O-N 2.71Å; L373-L376 PolarHBondContact O-N 3.45Å; L373-L376 VanDerWaalsContact O-N 3.14Å; L373-C377 PolarHBondContact O-N 3.41Å; L373-C377 PolarHBondContact O-SG 3.31Å; L373-F409 HydrophobicContact CD1-CB 3.63Å; L373-F409 HydrophobicContact CD1-CD1 3.9Å; L373-F409 HydrophobicContact CD1-CG 3.78Å; L373-F409 HydrophobicContact CD2-CB 3.75Å; L373-F409 HydrophobicContact CG-CB 4.36Å; L373-L410 HydrophobicContact CD2-CD2 3.96Å; L373-L410 HydrophobicContact CD2-CG 4.36Å |
| 374 | A | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.8 | -30.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | L348 R351 T352 F355 F370 E371 L372 | L348-A374 HydrophobicContact CD1-CB 3.77Å; R351-A374 HydrophobicContact CB-CB 3.92Å; R351-A374 PolarHBondContact NE-O 3.32Å; R351-A374 PolarHBondContact NH2-O 2.91Å; T352-A374 WeakPolarHBondContact OG1-CB 3.43Å; F355-A374 HydrophobicContact CD2-CB 4.45Å; F370-A374 WeakPolarHBondContact O-CB 3.42Å; F370-A374 PolarHBondContact O-N 3.43Å; E371-A374 PolarHBondContact O-N 3.02Å; L372-A374 VanDerWaalsContact C-N 3.33Å; L372-A374 PolarHBondContact O-N 3.02Å |
| 375 | R | 92.9 | Very high | 90.3 | Very high | 155 Ų | 155 | 65.3 Ų | 65.3 | 59% | 0.585 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -72.8 | -31.4 | 173.4 | -68.4 | 178.5 | -171 | -176.4 | 2.5 | 112.5 | L348 E371 L372 L373 C377 | L348-R375 HydrophobicContact CD1-CB 4.37Å; L348-R375 HydrophobicContact CD1-CG 3.62Å; L348-R375 HydrophobicContact CD2-CG 4.19Å; E371-R375 WeakPolarHBondContact O-CG 3.27Å; E371-R375 PolarHBondContact O-N 3.38Å; E371-R375 VanDerWaalsContact O-N 3.12Å; E371-R375 IonicContact OE1-CZ 3.6Å; E371-R375 IonicContact OE1-NE 3.89Å; E371-R375 IonicContact OE1-NH2 2.71Å; E371-R375 PolarHBondContact OE1-NH2 3.46Å; L372-R375 PolarHBondContact O-N 2.95Å; L373-R375 VanDerWaalsContact C-N 3.29Å; L373-R375 PolarHBondContact O-N 2.71Å; R375-C377 VanDerWaalsContact C-N 3.28Å; R375-C377 PolarHBondContact O-N 2.95Å |
| 376 | L | 91.1 | Very high | 90.3 | Very high | 82 Ų | 82 | 68 Ų | 68 | 43% | 0.429 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -78.4 | -11.2 | 178.1 | -66.3 | 171.7 | 0 | 0 | 0 | 113.7 | L372 L373 P378 L410 V413 | L372-L376 HydrophobicContact CG-CD1 4.46Å; L372-L376 WeakPolarHBondContact O-CG 3.38Å; L372-L376 PolarHBondContact O-N 2.93Å; L373-L376 PolarHBondContact O-N 3.45Å; L373-L376 VanDerWaalsContact O-N 3.14Å; L376-P378 WeakPolarHBondContact O-CD 3.45Å; L376-L410 HydrophobicContact CD1-CD2 3.29Å; L376-V413 HydrophobicContact CB-CG1 4.07Å |
| 377 | C | 88.9 | Confident | 90.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -109.9 | 75 | 177.2 | -64.1 | 0 | 0 | 0 | 0 | 111 | R351 L373 R375 S380 | R351-C377 VanDerWaalsContact CD-O 3.31Å; R351-C377 WeakPolarHBondContact CD-O 3.47Å; R351-C377 PolarHBondContact NE-O 3.03Å; L373-C377 PolarHBondContact O-N 3.41Å; L373-C377 PolarHBondContact O-SG 3.31Å; R375-C377 VanDerWaalsContact C-N 3.28Å; R375-C377 PolarHBondContact O-N 2.95Å; C377-S380 WeakPolarHBondContact CB-OG 3.46Å; C377-S380 PolarHBondContact O-OG 3.27Å |
| 378 | P | 87.2 | Confident | 90.9 | Very high | 78 Ų | 78 | 52.4 Ų | 52.4 | 51% | 0.506 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 144.1 | 175 | 31.1 | -34.9 | 0 | 0 | 0 | 110.7 | L376 S380 | L376-P378 WeakPolarHBondContact O-CD 3.45Å; P378-S380 PolarHBondContact O-N 3.02Å; P378-S380 PolarHBondContact O-OG 2.94Å |
| 379 | N | 86.2 | Confident | 91 | Very high | 112 Ų | 112 | 52 Ų | 52 | 60% | 0.599 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 29.5 | 174.8 | -60.2 | -20.2 | 0 | 0 | 0 | 114.7 | L345 | L345-N379 HydrophobicContact CD1-CB 3.83Š|
| 380 | S | 87.1 | Confident | 91.1 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | trans | -87.2 | 140.6 | -177.2 | -50.5 | 0 | 0 | 0 | 0 | 111.8 | P346 C377 P378 E384 I417 | P346-S380 WeakPolarHBondContact CD-O 3.25Å; P346-S380 WeakPolarHBondContact CG-O 3.49Å; C377-S380 WeakPolarHBondContact CB-OG 3.46Å; C377-S380 PolarHBondContact O-OG 3.27Å; P378-S380 PolarHBondContact O-N 3.02Å; P378-S380 PolarHBondContact O-OG 2.94Å; S380-E384 WeakPolarHBondContact CA-OE2 3.48Å; S380-I417 WeakPolarHBondContact OG-CD1 3.33Å | ||
| 381 | T | 89.6 | Confident | 91.1 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | trans | -77.3 | 160.8 | 175.1 | 63.5 | 0 | 0 | 0 | 0 | 111.2 | L345 A383 E384 I385 T426 | L345-T381 HydrophobicContact CD2-CG2 3.67Å; T381-A383 PolarHBondContact O-N 3.22Å; T381-E384 PolarHBondContact N-OE2 3.1Å; T381-E384 PolarHBondContact O-N 3.06Å; T381-E384 VanDerWaalsContact O-N 3.15Å; T381-E384 WeakPolarHBondContact OG1-CG 3.5Å; T381-E384 PolarHBondContact OG1-N 3.23Å; T381-I385 WeakPolarHBondContact O-CG1 3.38Å; T381-I385 PolarHBondContact O-N 3.44Å; T381-T426 HydrophobicContact CG2-CG2 4.33Å | ||
| 382 | G | 88.9 | Confident | 91.3 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 17% | 0.165 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -34.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | G219 I385 R386 | G219-G382 PolarHBondContact O-N 3Å; G382-I385 PolarHBondContact O-N 3.39Å; G382-R386 PolarHBondContact O-N 3.06Å |
| 383 | A | 89.3 | Confident | 91.3 | Very high | 46 Ų | 46 | 42.5 Ų | 42.5 | 38% | 0.38 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | G219 T381 R386 S387 | G219-A383 PolarHBondContact O-N 2.94Å; G219-A383 VanDerWaalsContact O-N 3.14Å; T381-A383 PolarHBondContact O-N 3.22Å; A383-R386 WeakPolarHBondContact O-CB 3.43Å; A383-R386 PolarHBondContact O-N 3.37Å; A383-S387 PolarHBondContact O-N 2.79Å; A383-S387 PolarHBondContact O-OG 3.18Å |
| 384 | E | 90.2 | Very high | 91.5 | Very high | 43 Ų | 43 | 46.3 Ų | 46.3 | 20% | 0.201 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65 | -41.1 | 175.5 | -74.5 | 169.3 | 170.7 | 0 | 0 | 111.5 | S380 T381 R386 S387 V388 S424 | S380-E384 WeakPolarHBondContact CA-OE2 3.48Å; T381-E384 PolarHBondContact N-OE2 3.1Å; T381-E384 PolarHBondContact O-N 3.06Å; T381-E384 VanDerWaalsContact O-N 3.15Å; T381-E384 WeakPolarHBondContact OG1-CG 3.5Å; T381-E384 PolarHBondContact OG1-N 3.23Å; E384-R386 VanDerWaalsContact C-N 3.33Å; E384-R386 PolarHBondContact O-N 3.46Å; E384-S387 CarbonylContact O-C 3.51Å; E384-S387 WeakPolarHBondContact O-CA 3.41Å; E384-S387 WeakPolarHBondContact O-CB 3.47Å; E384-S387 PolarHBondContact O-N 2.96Å; E384-S387 VanDerWaalsContact O-N 3.1Å; E384-V388 WeakPolarHBondContact O-CG2 3.47Å; E384-V388 PolarHBondContact O-N 2.62Å; E384-S424 PolarHBondContact OE1-OG 2.95Å |
| 385 | I | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 176.7 | -65.8 | 167.4 | 0 | 0 | 0 | 111.1 | R351 I354 F355 T381 G382 S387 V388 C389 | R351-I385 HydrophobicContact CB-CD1 3.82Å; R351-I385 HydrophobicContact CG-CD1 3.58Å; I354-I385 HydrophobicContact CB-CG2 4.23Å; I354-I385 HydrophobicContact CD1-CD1 4.3Å; I354-I385 HydrophobicContact CG2-CB 4.04Å; I354-I385 HydrophobicContact CG2-CD1 4.5Å; I354-I385 HydrophobicContact CG2-CG2 3.63Å; F355-I385 HydrophobicContact CD1-CG2 3.7Å; F355-I385 HydrophobicContact CD2-CG2 3.84Å; F355-I385 HydrophobicContact CE1-CG2 3.65Å; F355-I385 HydrophobicContact CE2-CG1 4.35Å; F355-I385 HydrophobicContact CE2-CG2 3.79Å; F355-I385 HydrophobicContact CG-CG2 3.79Å; F355-I385 HydrophobicContact CZ-CB 4.49Å; F355-I385 HydrophobicContact CZ-CG1 4.42Å; F355-I385 HydrophobicContact CZ-CG2 3.69Å; T381-I385 WeakPolarHBondContact O-CG1 3.38Å; T381-I385 PolarHBondContact O-N 3.44Å; G382-I385 PolarHBondContact O-N 3.39Å; I385-S387 VanDerWaalsContact C-N 3.32Å; I385-S387 PolarHBondContact O-N 3.38Å; I385-V388 WeakPolarHBondContact O-CB 3.42Å; I385-V388 PolarHBondContact O-N 2.8Å; I385-C389 PolarHBondContact O-N 2.88Å; I385-C389 VanDerWaalsContact O-N 3.08Å; I385-C389 PolarHBondContact O-SG 3.12Å |
| 386 | R | 92.1 | Very high | 91.6 | Very high | 151 Ų | 151 | 41 Ų | 41 | 57% | 0.57 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59.5 | -44.2 | 171.4 | -175.3 | -180 | 176.1 | -173.5 | -0.5 | 111.2 | G382 A383 E384 V388 C389 T390 | G382-R386 PolarHBondContact O-N 3.06Å; A383-R386 WeakPolarHBondContact O-CB 3.43Å; A383-R386 PolarHBondContact O-N 3.37Å; E384-R386 VanDerWaalsContact C-N 3.33Å; E384-R386 PolarHBondContact O-N 3.46Å; R386-V388 VanDerWaalsContact C-N 3.33Å; R386-V388 PolarHBondContact O-N 2.78Å; R386-C389 PolarHBondContact O-N 3.47Å; R386-T390 PolarHBondContact O-N 3.37Å; R386-T390 PolarHBondContact O-OG1 3.14Å; R386-T390 VanDerWaalsContact O-OG1 3.08Å |
| 387 | S | 92.6 | Very high | 91.8 | Very high | 56 Ų | 56 | 42.8 Ų | 42.8 | 39% | 0.392 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.5 | -38.1 | 176.1 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | A383 E384 I385 C389 T390 E391 | A383-S387 PolarHBondContact O-N 2.79Å; A383-S387 PolarHBondContact O-OG 3.18Å; E384-S387 CarbonylContact O-C 3.51Å; E384-S387 WeakPolarHBondContact O-CA 3.41Å; E384-S387 WeakPolarHBondContact O-CB 3.47Å; E384-S387 PolarHBondContact O-N 2.96Å; E384-S387 VanDerWaalsContact O-N 3.1Å; I385-S387 VanDerWaalsContact C-N 3.32Å; I385-S387 PolarHBondContact O-N 3.38Å; S387-C389 VanDerWaalsContact C-N 3.34Å; S387-C389 PolarHBondContact O-N 3.41Å; S387-T390 PolarHBondContact O-N 2.91Å; S387-E391 WeakPolarHBondContact O-CB 3.48Å; S387-E391 WeakPolarHBondContact O-CG 3.42Å; S387-E391 PolarHBondContact O-N 3.16Å |
| 388 | V | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59 | -45.1 | 172.6 | 171.7 | 0 | 0 | 0 | 0 | 111 | F355 E384 I385 R386 E391 A392 F409 A412 V413 V416 I417 | F355-V388 HydrophobicContact CE1-CB 4.27Å; F355-V388 HydrophobicContact CE1-CG1 3.84Å; F355-V388 HydrophobicContact CZ-CG1 4.17Å; E384-V388 WeakPolarHBondContact O-CG2 3.47Å; E384-V388 PolarHBondContact O-N 2.62Å; I385-V388 WeakPolarHBondContact O-CB 3.42Å; I385-V388 PolarHBondContact O-N 2.8Å; R386-V388 VanDerWaalsContact C-N 3.33Å; R386-V388 PolarHBondContact O-N 2.78Å; V388-E391 PolarHBondContact O-N 3.02Å; V388-A392 WeakPolarHBondContact O-CB 3.47Å; V388-A392 PolarHBondContact O-N 2.85Å; V388-F409 HydrophobicContact CG1-CD1 4.42Å; V388-A412 HydrophobicContact CG1-CB 4.16Å; V388-A412 WeakPolarHBondContact O-CB 3.43Å; V388-V413 HydrophobicContact CG1-CG2 3.55Å; V388-V413 HydrophobicContact CG2-CG2 4.36Å; V388-V416 HydrophobicContact CG2-CB 3.89Å; V388-V416 HydrophobicContact CG2-CG1 3.95Å; V388-V416 HydrophobicContact CG2-CG2 4.26Å; V388-I417 HydrophobicContact CG2-CD1 4.42Å; V388-I417 HydrophobicContact CG2-CG1 4.48Å |
| 389 | C | 94.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 178.1 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | F355 H358 M362 I385 R386 S387 E391 A392 G393 F409 | F355-C389 VanDerWaalsContact CD1-SG 3.59Å; H358-C389 HydrophobicContact CB-CB 4.07Å; M362-C389 VanDerWaalsContact CE-O 3.25Å; M362-C389 WeakPolarHBondContact CE-O 3.3Å; M362-C389 HydrophobicContact SD-CB 3.94Å; I385-C389 PolarHBondContact O-N 2.88Å; I385-C389 VanDerWaalsContact O-N 3.08Å; I385-C389 PolarHBondContact O-SG 3.12Å; R386-C389 PolarHBondContact O-N 3.47Å; S387-C389 VanDerWaalsContact C-N 3.34Å; S387-C389 PolarHBondContact O-N 3.41Å; C389-E391 PolarHBondContact O-N 3.36Å; C389-A392 PolarHBondContact O-N 3.23Å; C389-G393 PolarHBondContact O-N 2.79Å; C389-G393 VanDerWaalsContact O-N 3.09Å; C389-F409 HydrophobicContact CB-CE1 4.42Å |
| 390 | T | 94.4 | Very high | 92.8 | Very high | 92 Ų | 92 | 54.7 Ų | 54.7 | 56% | 0.564 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.9 | -43.7 | 176.9 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | R386 S387 G393 M394 | R386-T390 PolarHBondContact O-N 3.37Å; R386-T390 PolarHBondContact O-OG1 3.14Å; R386-T390 VanDerWaalsContact O-OG1 3.08Å; S387-T390 PolarHBondContact O-N 2.91Å; T390-G393 PolarHBondContact O-N 2.9Å; T390-M394 PolarHBondContact O-N 3.47Å |
| 391 | E | 94.3 | Very high | 93.1 | Very high | 35 Ų | 35 | 59.4 Ų | 59.4 | 16% | 0.164 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.6 | -37.6 | 178.5 | -77.5 | -73 | 177 | 0 | 0 | 112.4 | S387 V388 C389 G393 M394 F395 A412 K415 V416 | S387-E391 WeakPolarHBondContact O-CB 3.48Å; S387-E391 WeakPolarHBondContact O-CG 3.42Å; S387-E391 PolarHBondContact O-N 3.16Å; V388-E391 PolarHBondContact O-N 3.02Å; C389-E391 PolarHBondContact O-N 3.36Å; E391-G393 VanDerWaalsContact C-N 3.29Å; E391-G393 PolarHBondContact O-N 2.91Å; E391-M394 WeakPolarHBondContact O-CA 3.48Å; E391-M394 WeakPolarHBondContact O-CB 3.45Å; E391-M394 PolarHBondContact O-N 3.05Å; E391-F395 WeakPolarHBondContact O-CD2 3.26Å; E391-F395 PolarHBondContact O-N 3.23Å; E391-A412 HydrophobicContact CB-CB 3.84Å; E391-K415 IonicContact OE1-NZ 3.23Å; E391-K415 PolarHBondContact OE1-NZ 3.06Å; E391-K415 IonicContact OE2-NZ 3.77Å; E391-K415 PolarHBondContact OE2-NZ 3.37Å; E391-V416 HydrophobicContact CB-CG2 4.13Å; E391-V416 HydrophobicContact CG-CG2 3.75Å |
| 392 | A | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V388 C389 M394 F395 A396 D408 F409 A412 | V388-A392 WeakPolarHBondContact O-CB 3.47Å; V388-A392 PolarHBondContact O-N 2.85Å; C389-A392 PolarHBondContact O-N 3.23Å; A392-M394 VanDerWaalsContact C-N 3.34Å; A392-F395 PolarHBondContact O-N 3.23Å; A392-A396 PolarHBondContact O-N 3.42Å; A392-A396 VanDerWaalsContact O-N 3.11Å; A392-D408 HydrophobicContact CB-CB 4.41Å; A392-F409 HydrophobicContact CB-CB 4.47Å; A392-F409 HydrophobicContact CB-CD1 3.63Å; A392-F409 HydrophobicContact CB-CD2 3.99Å; A392-F409 HydrophobicContact CB-CE1 3.74Å; A392-F409 HydrophobicContact CB-CE2 4.08Å; A392-F409 HydrophobicContact CB-CG 3.77Å; A392-F409 HydrophobicContact CB-CZ 3.96Å; A392-A412 HydrophobicContact CB-CB 3.99Å |
| 393 | G | 94.2 | Very high | 93.5 | Very high | 15 Ų | 15 | 72.1 Ų | 72.1 | 16% | 0.155 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C389 T390 E391 A396 I397 | C389-G393 PolarHBondContact O-N 2.79Å; C389-G393 VanDerWaalsContact O-N 3.09Å; T390-G393 PolarHBondContact O-N 2.9Å; E391-G393 VanDerWaalsContact C-N 3.29Å; E391-G393 PolarHBondContact O-N 2.91Å; G393-A396 PolarHBondContact O-N 3.09Å; G393-I397 VanDerWaalsContact O-CG1 3.3Å; G393-I397 WeakPolarHBondContact O-CG1 3.41Å; G393-I397 PolarHBondContact O-N 3.45Å |
| 394 | M | 94.6 | Very high | 93.7 | Very high | 81 Ų | 81 | 70.1 Ų | 70.1 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 178.5 | -165.8 | 61.4 | -178.1 | 0 | 0 | 112.6 | T390 E391 A392 I397 R398 | T390-M394 PolarHBondContact O-N 3.47Å; E391-M394 WeakPolarHBondContact O-CA 3.48Å; E391-M394 WeakPolarHBondContact O-CB 3.45Å; E391-M394 PolarHBondContact O-N 3.05Å; A392-M394 VanDerWaalsContact C-N 3.34Å; M394-I397 PolarHBondContact O-N 3.13Å; M394-R398 VanDerWaalsContact O-CG 3.31Å; M394-R398 WeakPolarHBondContact O-CG 3.26Å; M394-R398 PolarHBondContact O-N 3.1Å |
| 395 | F | 94.8 | Very high | 93.9 | Very high | 39 Ų | 39 | 69.7 Ų | 69.7 | 17% | 0.171 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | 173.1 | -77.2 | -64.8 | 0 | 0 | 0 | 112 | E391 A392 I397 R398 A399 D408 E411 A412 K415 | E391-F395 WeakPolarHBondContact O-CD2 3.26Å; E391-F395 PolarHBondContact O-N 3.23Å; A392-F395 PolarHBondContact O-N 3.23Å; F395-I397 PolarHBondContact O-N 3.17Å; F395-R398 PolarHBondContact O-N 2.83Å; F395-A399 WeakPolarHBondContact O-CB 3.42Å; F395-A399 PolarHBondContact O-N 3.03Å; F395-D408 HydrophobicContact CB-CB 4.26Å; F395-E411 HydrophobicContact CD2-CB 4.39Å; F395-E411 HydrophobicContact CE2-CB 4.21Å; F395-E411 HydrophobicContact CZ-CB 4.42Å; F395-A412 HydrophobicContact CD2-CB 4.24Å; F395-A412 HydrophobicContact CE2-CB 4.28Å; F395-K415 HydrophobicContact CE2-CD 4.11Å; F395-K415 HydrophobicContact CZ-CD 3.85Å |
| 396 | A | 94.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 71.5 Ų | 71.5 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | A392 G393 A399 R400 R401 A404 | A392-A396 PolarHBondContact O-N 3.42Å; A392-A396 VanDerWaalsContact O-N 3.11Å; G393-A396 PolarHBondContact O-N 3.09Å; A396-A399 CarbonylContact O-C 3.58Å; A396-A399 PolarHBondContact O-N 2.97Å; A396-R400 PolarHBondContact O-N 2.73Å; A396-R401 PolarHBondContact O-N 2.88Å; A396-A404 HydrophobicContact CB-CB 4.4Å |
| 397 | I | 95.1 | Very high | 93.9 | Very high | 119 Ų | 119 | 71.9 Ų | 71.9 | 61% | 0.61 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.7 | -45.6 | 177.3 | -68.7 | 166.7 | 0 | 0 | 0 | 111.3 | G393 M394 F395 A399 R400 | G393-I397 VanDerWaalsContact O-CG1 3.3Å; G393-I397 WeakPolarHBondContact O-CG1 3.41Å; G393-I397 PolarHBondContact O-N 3.45Å; M394-I397 PolarHBondContact O-N 3.13Å; F395-I397 PolarHBondContact O-N 3.17Å; I397-A399 VanDerWaalsContact C-N 3.25Å; I397-A399 PolarHBondContact O-N 3.39Å; I397-R400 WeakPolarHBondContact O-CA 3.28Å; I397-R400 PolarHBondContact O-N 3Å |
| 398 | R | 94.6 | Very high | 94 | Very high | 153 Ų | 153 | 69.3 Ų | 69.3 | 58% | 0.577 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61 | -36.3 | 177.4 | -74.1 | 175.8 | -171.6 | -171.3 | 0.8 | 112.2 | M394 F395 R400 | M394-R398 VanDerWaalsContact O-CG 3.31Å; M394-R398 WeakPolarHBondContact O-CG 3.26Å; M394-R398 PolarHBondContact O-N 3.1Å; F395-R398 PolarHBondContact O-N 2.83Å; R398-R400 PolarHBondContact O-N 3.37Å |
| 399 | A | 94.1 | Very high | 94 | Very high | 50 Ų | 50 | 69.3 Ų | 69.3 | 41% | 0.413 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F395 A396 I397 R401 | F395-A399 WeakPolarHBondContact O-CB 3.42Å; F395-A399 PolarHBondContact O-N 3.03Å; A396-A399 CarbonylContact O-C 3.58Å; A396-A399 PolarHBondContact O-N 2.97Å; I397-A399 VanDerWaalsContact C-N 3.25Å; I397-A399 PolarHBondContact O-N 3.39Å; A399-R401 HydrophobicContact CB-CG 4.34Å; A399-R401 PolarHBondContact O-N 2.89Å |
| 400 | R | 94.6 | Very high | 93.9 | Very high | 237 Ų | 237 | 71.7 Ų | 71.7 | 89% | 0.894 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 29.4 | -175.4 | -57.7 | -175 | 178.4 | -163.2 | -0.4 | 113.6 | A396 I397 R398 | A396-R400 PolarHBondContact O-N 2.73Å; I397-R400 WeakPolarHBondContact O-CA 3.28Å; I397-R400 PolarHBondContact O-N 3Å; R398-R400 PolarHBondContact O-N 3.37Å |
| 401 | R | 93.3 | Very high | 93.9 | Very high | 99 Ų | 99 | 72.4 Ų | 72.4 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | trans | -94.5 | 145.7 | 176.3 | -72.4 | -175.9 | -82.7 | 118.1 | -4 | 110.4 | A396 A399 D408 | A396-R401 PolarHBondContact O-N 2.88Å; A399-R401 HydrophobicContact CB-CG 4.34Å; A399-R401 PolarHBondContact O-N 2.89Å; R401-D408 IonicContact CZ-OD1 3.39Å; R401-D408 IonicContact CZ-OD2 2.69Å; R401-D408 VanDerWaalsContact NH1-CG 3.32Å; R401-D408 IonicContact NH1-OD1 3.99Å; R401-D408 PolarHBondContact NH1-OD1 2.88Å; R401-D408 IonicContact NH1-OD2 3.85Å; R401-D408 PolarHBondContact NH1-OD2 2.84Å; R401-D408 IonicContact NH2-OD1 2.93Å; R401-D408 PolarHBondContact NH2-OD1 3.42Å; R401-D408 IonicContact NH2-OD2 3.35Å | ||
| 402 | K | 92 | Very high | 93.9 | Very high | 198 Ų | 198 | 70.8 Ų | 70.8 | 86% | 0.861 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -89.6 | -16.1 | 177.9 | -64.1 | -174 | 179.5 | -176.9 | 0 | 113.5 | ||
| 403 | I | 94.2 | Very high | 93.8 | Very high | 91 Ų | 91 | 71.1 Ų | 71.1 | 47% | 0.467 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -125.6 | 134.2 | -175.3 | -54.8 | 172.7 | 0 | 0 | 0 | 107.8 | S363 E365 | S363-I403 WeakPolarHBondContact O-CA 3.41Å; E365-I403 HydrophobicContact CB-CG2 4.27Å |
| 404 | A | 93.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 73.8 Ų | 73.8 | 3% | 0.033 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -81.8 | 133.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110 | S363 E365 A396 F409 | S363-A404 PolarHBondContact O-N 3.03Å; E365-A404 PolarHBondContact N-O 3.27Å; E365-A404 VanDerWaalsContact N-O 3.13Å; A396-A404 HydrophobicContact CB-CB 4.4Å; A404-F409 HydrophobicContact CB-CE2 3.99Å |
| 405 | T | 93.4 | Very high | 93.5 | Very high | 35 Ų | 35 | 72.8 Ų | 72.8 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | trans | -105.9 | 163.6 | -179.2 | 63 | 0 | 0 | 0 | 0 | 110.8 | K407 D408 F409 | T405-K407 PolarHBondContact O-N 3.14Å; T405-K407 VanDerWaalsContact O-N 3.15Å; T405-D408 PolarHBondContact N-OD2 3.01Å; T405-D408 WeakPolarHBondContact O-CB 3.14Å; T405-D408 PolarHBondContact O-N 3.43Å; T405-D408 PolarHBondContact OG1-OD2 3.45Å; T405-F409 WeakPolarHBondContact O-CD2 3.41Å; T405-F409 PolarHBondContact O-N 3.12Å | ||
| 406 | E | 92.8 | Very high | 93.2 | Very high | 37 Ų | 37 | 71.1 Ų | 71.1 | 17% | 0.173 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55 | -34.5 | 176.9 | -170.2 | 177 | -141.4 | 0 | 0 | 112.1 | R369 D408 F409 L410 | R369-E406 IonicContact CZ-OE1 3.61Å; R369-E406 IonicContact CZ-OE2 3.79Å; R369-E406 IonicContact NE-OE1 2.8Å; R369-E406 PolarHBondContact NE-OE1 3.03Å; R369-E406 IonicContact NE-OE2 3.18Å; R369-E406 IonicContact NH2-OE1 3.51Å; R369-E406 PolarHBondContact NH2-OE1 3.33Å; R369-E406 IonicContact NH2-OE2 3.51Å; R369-E406 PolarHBondContact NH2-OE2 3.37Å; E406-D408 PolarHBondContact O-N 3.15Å; E406-F409 PolarHBondContact O-N 3.21Å; E406-L410 WeakPolarHBondContact O-CG 3.48Å; E406-L410 PolarHBondContact O-N 2.7Å |
| 407 | K | 92.4 | Very high | 92.9 | Very high | 159 Ų | 159 | 72.4 Ų | 72.4 | 69% | 0.691 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.3 | -39.9 | 177 | -67.4 | -176.4 | -179.8 | 178.7 | 0 | 112.9 | T405 F409 L410 E411 | T405-K407 PolarHBondContact O-N 3.14Å; T405-K407 VanDerWaalsContact O-N 3.15Å; K407-F409 VanDerWaalsContact C-N 3.3Å; K407-F409 PolarHBondContact O-N 2.97Å; K407-L410 PolarHBondContact O-N 2.89Å; K407-E411 PolarHBondContact O-N 3.46Å |
| 408 | D | 93.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 73.8 Ų | 73.8 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.2 | -38.5 | 178.1 | -55 | -53.8 | 0 | 0 | 0 | 111.3 | A392 F395 R401 T405 E406 E411 A412 | A392-D408 HydrophobicContact CB-CB 4.41Å; F395-D408 HydrophobicContact CB-CB 4.26Å; R401-D408 IonicContact CZ-OD1 3.39Å; R401-D408 IonicContact CZ-OD2 2.69Å; R401-D408 VanDerWaalsContact NH1-CG 3.32Å; R401-D408 IonicContact NH1-OD1 3.99Å; R401-D408 PolarHBondContact NH1-OD1 2.88Å; R401-D408 IonicContact NH1-OD2 3.85Å; R401-D408 PolarHBondContact NH1-OD2 2.84Å; R401-D408 IonicContact NH2-OD1 2.93Å; R401-D408 PolarHBondContact NH2-OD1 3.42Å; R401-D408 IonicContact NH2-OD2 3.35Å; T405-D408 PolarHBondContact N-OD2 3.01Å; T405-D408 WeakPolarHBondContact O-CB 3.14Å; T405-D408 PolarHBondContact O-N 3.43Å; T405-D408 PolarHBondContact OG1-OD2 3.45Å; E406-D408 PolarHBondContact O-N 3.15Å; D408-E411 PolarHBondContact O-N 2.88Å; D408-A412 VanDerWaalsContact O-CB 3.24Å; D408-A412 WeakPolarHBondContact O-CB 3.44Å; D408-A412 PolarHBondContact O-N 2.79Å |
| 409 | F | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 174.7 | -80 | -85.2 | 0 | 0 | 0 | 111.7 | V364 I368 L373 V388 C389 A392 A404 T405 E406 K407 A412 V413 | V364-F409 HydrophobicContact CG1-CE2 4.11Å; V364-F409 HydrophobicContact CG1-CZ 4.14Å; I368-F409 HydrophobicContact CD1-CD2 3.92Å; I368-F409 HydrophobicContact CD1-CE2 3.68Å; L373-F409 HydrophobicContact CD1-CB 3.63Å; L373-F409 HydrophobicContact CD1-CD1 3.9Å; L373-F409 HydrophobicContact CD1-CG 3.78Å; L373-F409 HydrophobicContact CD2-CB 3.75Å; L373-F409 HydrophobicContact CG-CB 4.36Å; V388-F409 HydrophobicContact CG1-CD1 4.42Å; C389-F409 HydrophobicContact CB-CE1 4.42Å; A392-F409 HydrophobicContact CB-CB 4.47Å; A392-F409 HydrophobicContact CB-CD1 3.63Å; A392-F409 HydrophobicContact CB-CD2 3.99Å; A392-F409 HydrophobicContact CB-CE1 3.74Å; A392-F409 HydrophobicContact CB-CE2 4.08Å; A392-F409 HydrophobicContact CB-CG 3.77Å; A392-F409 HydrophobicContact CB-CZ 3.96Å; A404-F409 HydrophobicContact CB-CE2 3.99Å; T405-F409 WeakPolarHBondContact O-CD2 3.41Å; T405-F409 PolarHBondContact O-N 3.12Å; E406-F409 PolarHBondContact O-N 3.21Å; K407-F409 VanDerWaalsContact C-N 3.3Å; K407-F409 PolarHBondContact O-N 2.97Å; F409-A412 PolarHBondContact O-N 2.74Å; F409-V413 WeakPolarHBondContact O-CB 3.5Å; F409-V413 VanDerWaalsContact O-CG2 3.25Å; F409-V413 WeakPolarHBondContact O-CG2 3.29Å; F409-V413 PolarHBondContact O-N 2.85Å |
| 410 | L | 93.6 | Very high | 91.1 | Very high | 54 Ų | 54 | 72.4 Ų | 72.4 | 28% | 0.283 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 176.1 | -68.5 | 171.5 | 0 | 0 | 0 | 112.1 | L373 L376 E406 K407 N414 | L373-L410 HydrophobicContact CD2-CD2 3.96Å; L373-L410 HydrophobicContact CD2-CG 4.36Å; L376-L410 HydrophobicContact CD1-CD2 3.29Å; E406-L410 WeakPolarHBondContact O-CG 3.48Å; E406-L410 PolarHBondContact O-N 2.7Å; K407-L410 PolarHBondContact O-N 2.89Å; L410-N414 PolarHBondContact O-N 3.4Å; L410-N414 VanDerWaalsContact O-N 3.07Å; L410-N414 PolarHBondContact O-ND2 2.85Å |
| 411 | E | 93.4 | Very high | 90.2 | Very high | 107 Ų | 107 | 64 Ų | 64 | 50% | 0.5 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 173.8 | -72.9 | -176.8 | -171.6 | 0 | 0 | 111.6 | F395 K407 D408 N414 K415 | F395-E411 HydrophobicContact CD2-CB 4.39Å; F395-E411 HydrophobicContact CE2-CB 4.21Å; F395-E411 HydrophobicContact CZ-CB 4.42Å; K407-E411 PolarHBondContact O-N 3.46Å; D408-E411 PolarHBondContact O-N 2.88Å; E411-N414 PolarHBondContact O-N 3Å; E411-K415 WeakPolarHBondContact O-CB 3.4Å; E411-K415 PolarHBondContact O-N 2.95Å |
| 412 | A | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V388 E391 A392 F395 D408 F409 K415 V416 | V388-A412 HydrophobicContact CG1-CB 4.16Å; V388-A412 WeakPolarHBondContact O-CB 3.43Å; E391-A412 HydrophobicContact CB-CB 3.84Å; A392-A412 HydrophobicContact CB-CB 3.99Å; F395-A412 HydrophobicContact CD2-CB 4.24Å; F395-A412 HydrophobicContact CE2-CB 4.28Å; D408-A412 VanDerWaalsContact O-CB 3.24Å; D408-A412 WeakPolarHBondContact O-CB 3.44Å; D408-A412 PolarHBondContact O-N 2.79Å; F409-A412 PolarHBondContact O-N 2.74Å; A412-K415 PolarHBondContact O-N 3.24Å; A412-V416 WeakPolarHBondContact O-CB 3.45Å; A412-V416 WeakPolarHBondContact O-CG2 3.36Å; A412-V416 PolarHBondContact O-N 3.26Å |
| 413 | V | 93.1 | Very high | 88.8 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 175.1 | 169.6 | 0 | 0 | 0 | 0 | 110.2 | L376 V388 F409 K415 I417 | L376-V413 HydrophobicContact CB-CG1 4.07Å; V388-V413 HydrophobicContact CG1-CG2 3.55Å; V388-V413 HydrophobicContact CG2-CG2 4.36Å; F409-V413 WeakPolarHBondContact O-CB 3.5Å; F409-V413 VanDerWaalsContact O-CG2 3.25Å; F409-V413 WeakPolarHBondContact O-CG2 3.29Å; F409-V413 PolarHBondContact O-N 2.85Å; V413-K415 VanDerWaalsContact C-N 3.33Å; V413-K415 PolarHBondContact O-N 2.76Å; V413-I417 HydrophobicContact CG1-CB 4.44Å; V413-I417 HydrophobicContact CG1-CG1 4.01Å; V413-I417 WeakPolarHBondContact O-CA 3.35Å; V413-I417 WeakPolarHBondContact O-CB 3.29Å; V413-I417 WeakPolarHBondContact O-CG1 3.4Å; V413-I417 PolarHBondContact O-N 2.75Å |
| 414 | N | 90.8 | Very high | 87.9 | Confident | 72 Ų | 72 | 64 Ų | 64 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | I | π-helix | trans | -60.8 | -43.1 | 177.8 | -79.6 | -55.3 | 0 | 0 | 0 | 111.7 | L410 E411 K418 | L410-N414 PolarHBondContact O-N 3.4Å; L410-N414 VanDerWaalsContact O-N 3.07Å; L410-N414 PolarHBondContact O-ND2 2.85Å; E411-N414 PolarHBondContact O-N 3Å; N414-K418 WeakPolarHBondContact O-CB 2.98Å; N414-K418 PolarHBondContact O-N 2.69Å; N414-K418 VanDerWaalsContact O-N 3.15Å; N414-K418 WeakPolarHBondContact OD1-CD 3.05Å; N414-K418 VanDerWaalsContact OD1-CE 3.23Å; N414-K418 WeakPolarHBondContact OD1-CE 3.47Å; N414-K418 PolarHBondContact OD1-NZ 3.24Å |
| 415 | K | 90.8 | Very high | 86.7 | Confident | 59 Ų | 59 | 65.8 Ų | 65.8 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | I | π-helix | trans | -65 | -54.4 | 178.3 | -176.7 | -176 | 171.5 | -162.5 | 0 | 111.4 | E391 F395 E411 A412 V413 S419 | E391-K415 IonicContact OE1-NZ 3.23Å; E391-K415 PolarHBondContact OE1-NZ 3.06Å; E391-K415 IonicContact OE2-NZ 3.77Å; E391-K415 PolarHBondContact OE2-NZ 3.37Å; F395-K415 HydrophobicContact CE2-CD 4.11Å; F395-K415 HydrophobicContact CZ-CD 3.85Å; E411-K415 WeakPolarHBondContact O-CB 3.4Å; E411-K415 PolarHBondContact O-N 2.95Å; A412-K415 PolarHBondContact O-N 3.24Å; V413-K415 VanDerWaalsContact C-N 3.33Å; V413-K415 PolarHBondContact O-N 2.76Å; K415-S419 WeakPolarHBondContact O-CA 3.33Å; K415-S419 WeakPolarHBondContact O-CB 3.45Å; K415-S419 PolarHBondContact O-N 3.23Å; K415-S419 VanDerWaalsContact O-N 3.11Å |
| 416 | V | 90 | Very high | 85.8 | Confident | 5 Ų | 5 | 64.7 Ų | 64.7 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -71.1 | -54.2 | -174.1 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | V388 E391 A412 Y420 | V388-V416 HydrophobicContact CG2-CB 3.89Å; V388-V416 HydrophobicContact CG2-CG1 3.95Å; V388-V416 HydrophobicContact CG2-CG2 4.26Å; E391-V416 HydrophobicContact CB-CG2 4.13Å; E391-V416 HydrophobicContact CG-CG2 3.75Å; A412-V416 WeakPolarHBondContact O-CB 3.45Å; A412-V416 WeakPolarHBondContact O-CG2 3.36Å; A412-V416 PolarHBondContact O-N 3.26Å; V416-Y420 HydrophobicContact CB-CD2 4.29Å; V416-Y420 HydrophobicContact CG1-CD2 4.03Å; V416-Y420 HydrophobicContact CG2-CD2 4.47Å; V416-Y420 HydrophobicContact CG2-CE2 4.38Å; V416-Y420 WeakPolarHBondContact O-CA 3.46Å; V416-Y420 WeakPolarHBondContact O-CB 3.36Å; V416-Y420 PolarHBondContact O-N 3.04Å |
| 417 | I | 86.5 | Confident | 85.1 | Confident | 32 Ų | 32 | 67 Ų | 67 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | I | π-helix | trans | -72.3 | -45.5 | -172.7 | -56 | -57.1 | 0 | 0 | 0 | 111.3 | S380 V388 V413 A421 | S380-I417 WeakPolarHBondContact OG-CD1 3.33Å; V388-I417 HydrophobicContact CG2-CD1 4.42Å; V388-I417 HydrophobicContact CG2-CG1 4.48Å; V413-I417 HydrophobicContact CG1-CB 4.44Å; V413-I417 HydrophobicContact CG1-CG1 4.01Å; V413-I417 WeakPolarHBondContact O-CA 3.35Å; V413-I417 WeakPolarHBondContact O-CB 3.29Å; V413-I417 WeakPolarHBondContact O-CG1 3.4Å; V413-I417 PolarHBondContact O-N 2.75Å; I417-A421 WeakPolarHBondContact O-CB 3.3Å; I417-A421 PolarHBondContact O-N 3.15Å; I417-A421 VanDerWaalsContact O-N 3.13Å |
| 418 | K | 82.9 | Confident | 84.3 | Confident | 147 Ų | 147 | 68 Ų | 68 | 64% | 0.639 | 34% | 0.341 | S | S | * | . | I | π-helix | trans | -82.2 | -39.7 | -176.9 | -57.9 | 179.3 | 172.8 | 165.4 | 0 | 113.3 | N414 | N414-K418 WeakPolarHBondContact O-CB 2.98Å; N414-K418 PolarHBondContact O-N 2.69Å; N414-K418 VanDerWaalsContact O-N 3.15Å; N414-K418 WeakPolarHBondContact OD1-CD 3.05Å; N414-K418 VanDerWaalsContact OD1-CE 3.23Å; N414-K418 WeakPolarHBondContact OD1-CE 3.47Å; N414-K418 PolarHBondContact OD1-NZ 3.24Å |
| 419 | S | 82.4 | Confident | 83.5 | Confident | 67 Ų | 67 | 71 Ų | 71 | 47% | 0.469 | 35% | 0.352 | S | S | . | . | I | π-helix | trans | -75.8 | -43 | -179.5 | -156.6 | 0 | 0 | 0 | 0 | 111.3 | K415 | K415-S419 WeakPolarHBondContact O-CA 3.33Å; K415-S419 WeakPolarHBondContact O-CB 3.45Å; K415-S419 PolarHBondContact O-N 3.23Å; K415-S419 VanDerWaalsContact O-N 3.11Å |
| 420 | Y | 80.4 | Confident | 82.6 | Confident | 107 Ų | 107 | 75.3 Ų | 75.3 | 42% | 0.42 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -84.7 | -4.2 | 178.9 | -52 | -36.7 | 0 | 0 | 0 | 114.3 | V416 K422 F423 S424 | V416-Y420 HydrophobicContact CB-CD2 4.29Å; V416-Y420 HydrophobicContact CG1-CD2 4.03Å; V416-Y420 HydrophobicContact CG2-CD2 4.47Å; V416-Y420 HydrophobicContact CG2-CE2 4.38Å; V416-Y420 WeakPolarHBondContact O-CA 3.46Å; V416-Y420 WeakPolarHBondContact O-CB 3.36Å; V416-Y420 PolarHBondContact O-N 3.04Å; Y420-K422 PolarHBondContact O-N 2.96Å; Y420-K422 VanDerWaalsContact O-N 3.12Å; Y420-F423 HydrophobicContact CD1-CD2 4.32Å; Y420-F423 CarbonylContact O-C 3.54Å; Y420-F423 PolarHBondContact O-N 3.3Å; Y420-S424 PolarHBondContact O-N 2.76Å |
| 421 | A | 77 | Confident | 81.8 | Confident | 62 Ų | 62 | 77.7 Ų | 77.7 | 51% | 0.512 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -51.5 | -34.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I417 F423 S424 | I417-A421 WeakPolarHBondContact O-CB 3.3Å; I417-A421 PolarHBondContact O-N 3.15Å; I417-A421 VanDerWaalsContact O-N 3.13Å; A421-F423 PolarHBondContact O-N 3.09Å; A421-S424 PolarHBondContact O-N 3.21Å |
| 422 | K | 77.3 | Confident | 80.8 | Confident | 184 Ų | 184 | 76.3 Ų | 76.3 | 80% | 0.8 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -63.3 | -26.5 | 176.5 | -65.5 | -175.1 | -179.5 | -178.5 | 0 | 113.7 | Y420 | Y420-K422 PolarHBondContact O-N 2.96Å; Y420-K422 VanDerWaalsContact O-N 3.12Å |
| 423 | F | 78.4 | Confident | 79.4 | Confident | 167 Ų | 167 | 79 Ų | 79 | 73% | 0.732 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -110.2 | 6.3 | -178.1 | -54.8 | -73.1 | 0 | 0 | 0 | 112.2 | Y420 A421 A425 | Y420-F423 HydrophobicContact CD1-CD2 4.32Å; Y420-F423 CarbonylContact O-C 3.54Å; Y420-F423 PolarHBondContact O-N 3.3Å; A421-F423 PolarHBondContact O-N 3.09Å; F423-A425 PolarHBondContact O-N 2.91Å |
| 424 | S | 74.8 | Confident | 78.7 | Confident | 35 Ų | 35 | 82.7 Ų | 82.7 | 25% | 0.245 | 41% | 0.414 | C | S | . | . | trans | -66.4 | 122.1 | -176.2 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | E384 Y420 A421 T426 P427 | E384-S424 PolarHBondContact OE1-OG 2.95Å; Y420-S424 PolarHBondContact O-N 2.76Å; A421-S424 PolarHBondContact O-N 3.21Å; S424-T426 WeakPolarHBondContact OG-CB 3.38Å; S424-T426 PolarHBondContact OG-N 3.39Å; S424-T426 PolarHBondContact OG-OG1 2.9Å; S424-P427 WeakPolarHBondContact O-CD 3.37Å | ||
| 425 | A | 69.8 | Low | 78.1 | Confident | 42 Ų | 42 | 83.2 Ų | 83.2 | 35% | 0.347 | 42% | 0.415 | S | S | . | . | trans | -77.5 | -14.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | F423 R428 Y429 | F423-A425 PolarHBondContact O-N 2.91Å; A425-R428 PolarHBondContact O-N 2.84Å; A425-R428 VanDerWaalsContact O-N 3.11Å; A425-Y429 HydrophobicContact CB-CD2 3.85Å; A425-Y429 HydrophobicContact CB-CE2 3.9Å; A425-Y429 WeakPolarHBondContact O-CD2 3.18Å; A425-Y429 PolarHBondContact O-N 3.18Å; A425-Y429 VanDerWaalsContact O-N 3.09Å | ||
| 426 | T | 74.3 | Confident | 77.4 | Confident | 12 Ų | 12 | 84.6 Ų | 84.6 | 7% | 0.074 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -54.1 | -47.8 | -172 | -43.9 | 0 | 0 | 0 | 0 | 113.4 | L345 T381 S424 R428 Y429 M430 | L345-T426 HydrophobicContact CD1-CG2 4.05Å; L345-T426 HydrophobicContact CD2-CG2 3.95Å; T381-T426 HydrophobicContact CG2-CG2 4.33Å; S424-T426 WeakPolarHBondContact OG-CB 3.38Å; S424-T426 PolarHBondContact OG-N 3.39Å; S424-T426 PolarHBondContact OG-OG1 2.9Å; T426-R428 VanDerWaalsContact C-N 3.32Å; T426-R428 PolarHBondContact O-N 3.1Å; T426-Y429 PolarHBondContact O-N 3.29Å; T426-M430 HydrophobicContact CG2-CG 4.46Å; T426-M430 HydrophobicContact CG2-SD 4.23Å; T426-M430 WeakPolarHBondContact O-CB 3.02Å; T426-M430 WeakPolarHBondContact O-CG 3.13Å; T426-M430 PolarHBondContact O-N 3.25Å |
| 427 | P | 76.8 | Confident | 76.6 | Confident | 87 Ų | 87 | 89.2 Ų | 89.2 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65 | -34.3 | -179.9 | -19.4 | 32.7 | 0 | 0 | 0 | 113.1 | S424 | S424-P427 WeakPolarHBondContact O-CD 3.37Å |
| 428 | R | 76.9 | Confident | 76 | Confident | 179 Ų | 179 | 92.8 Ų | 92.8 | 68% | 0.675 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -73 | -34.9 | 179.9 | -174 | 177.5 | 179.3 | -177.7 | -0.2 | 111.9 | A425 T426 T431 Y432 | A425-R428 PolarHBondContact O-N 2.84Å; A425-R428 VanDerWaalsContact O-N 3.11Å; T426-R428 VanDerWaalsContact C-N 3.32Å; T426-R428 PolarHBondContact O-N 3.1Å; R428-T431 PolarHBondContact O-OG1 2.89Å; R428-Y432 HydrophobicContact CG-CE2 4.36Å; R428-Y432 WeakPolarHBondContact O-CD2 3.26Å; R428-Y432 WeakPolarHBondContact O-CE2 3.5Å |
| 429 | Y | 76.1 | Confident | 75.5 | Confident | 67 Ų | 67 | 89.2 Ų | 89.2 | 26% | 0.263 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -83.1 | -24.3 | 177.2 | -75.6 | -80.9 | 0 | 0 | 0 | 112.9 | P218 N322 R323 A425 T426 T431 Y432 N433 | P218-Y429 HydrophobicContact CG-CD2 3.8Å; P218-Y429 HydrophobicContact CG-CE2 4.06Å; P218-Y429 HydrophobicContact CG-CG 4.2Å; N322-Y429 HydrophobicContact CB-CD1 4.22Å; N322-Y429 HydrophobicContact CB-CE1 4.08Å; R323-Y429 HydrophobicContact CG-CD1 4.11Å; R323-Y429 HydrophobicContact CG-CE1 3.86Å; A425-Y429 HydrophobicContact CB-CD2 3.85Å; A425-Y429 HydrophobicContact CB-CE2 3.9Å; A425-Y429 WeakPolarHBondContact O-CD2 3.18Å; A425-Y429 PolarHBondContact O-N 3.18Å; A425-Y429 VanDerWaalsContact O-N 3.09Å; T426-Y429 PolarHBondContact O-N 3.29Å; Y429-T431 PolarHBondContact O-N 3.27Å; Y429-Y432 PolarHBondContact O-N 2.91Å; Y429-N433 PolarHBondContact O-N 3.16Å; Y429-N433 PolarHBondContact O-ND2 3.5Å |
| 430 | M | 75.9 | Confident | 75 | Confident | 90 Ų | 90 | 90.8 Ų | 90.8 | 44% | 0.443 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15.9 | 172.4 | -82.7 | -175.1 | 129.6 | 0 | 0 | 114.1 | L345 T426 Y432 N433 | L345-M430 HydrophobicContact CD1-CE 3.25Å; L345-M430 HydrophobicContact CD1-SD 4Å; L345-M430 HydrophobicContact CG-CE 3.82Å; T426-M430 HydrophobicContact CG2-CG 4.46Å; T426-M430 HydrophobicContact CG2-SD 4.23Å; T426-M430 WeakPolarHBondContact O-CB 3.02Å; T426-M430 WeakPolarHBondContact O-CG 3.13Å; T426-M430 PolarHBondContact O-N 3.25Å; M430-Y432 VanDerWaalsContact C-N 3.26Å; M430-N433 VanDerWaalsContact O-OXT 3.1Å |
| 431 | T | 76.5 | Confident | 74.6 | Confident | 104 Ų | 104 | 89.5 Ų | 89.5 | 64% | 0.638 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -17.8 | 173.6 | 54.3 | 0 | 0 | 0 | 0 | 113 | R428 Y429 | R428-T431 PolarHBondContact O-OG1 2.89Å; Y429-T431 PolarHBondContact O-N 3.27Å |
| 432 | Y | 72.4 | Confident | 74.4 | Confident | 77 Ų | 77 | 91.8 Ų | 91.8 | 30% | 0.302 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -18.3 | -174.7 | -54 | -64.3 | 0 | 0 | 0 | 113.6 | P324 D325 R428 Y429 M430 | P324-Y432 WeakPolarHBondContact CD-O 3.48Å; P324-Y432 WeakPolarHBondContact CG-O 3.44Å; D325-Y432 HydrophobicContact CB-CD1 4.24Å; D325-Y432 VanDerWaalsContact CG-CD1 3.48Å; D325-Y432 VanDerWaalsContact OD2-CD1 3.24Å; D325-Y432 WeakPolarHBondContact OD2-CD1 3.45Å; R428-Y432 HydrophobicContact CG-CE2 4.36Å; R428-Y432 WeakPolarHBondContact O-CD2 3.26Å; R428-Y432 WeakPolarHBondContact O-CE2 3.5Å; Y429-Y432 PolarHBondContact O-N 2.91Å; M430-Y432 VanDerWaalsContact C-N 3.26Å |
| 433 | N | 64.1 | Low | 74.2 | Confident | 58 Ų | 58 | 83.5 Ų | 83.5 | 31% | 0.31 | 42% | 0.418 | S | S | . | . | trans | -106.4 | 0 | 177.5 | -62.4 | -72.8 | 0 | 0 | 0 | 108 | G216 N322 P324 Y429 M430 | G216-N433 VanDerWaalsContact C-CG 3.47Å; G216-N433 VanDerWaalsContact C-ND2 3.28Å; G216-N433 VanDerWaalsContact CA-CG 3.45Å; G216-N433 WeakPolarHBondContact CA-OD1 3.26Å; G216-N433 PolarHBondContact N-OD1 3.44Å; N322-N433 PolarHBondContact O-ND2 3.14Å; N322-N433 VanDerWaalsContact O-ND2 3.15Å; N322-N433 PolarHBondContact O-OD1 3.27Å; P324-N433 WeakPolarHBondContact CD-OD1 3.2Å; Y429-N433 PolarHBondContact O-N 3.16Å; Y429-N433 PolarHBondContact O-ND2 3.5Å; M430-N433 VanDerWaalsContact O-OXT 3.1Å |
Retrieved 433 of 433 residues in 613.8 ms
(Link to these results)