| 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 | 31.1 | Very low | 34.9 | Very low | 241 Ų | 241 | 158.8 Ų | 158.8 | 100% | 1.187 | 86% | 0.862 | S | S | * | * | 0 | 111.5 | 0 | -159.4 | 174.9 | 109.4 | 0 | 0 | 105.6 | |||||
| 2 | V | 29.7 | Very low | 35.1 | Very low | 115 Ų | 115 | 155.5 Ų | 155.5 | 70% | 0.697 | 86% | 0.86 | S | S | * | * | cis | -162.9 | 130.5 | 19.4 | 137 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 3 | I | 31.6 | Very low | 35.2 | Very low | 154 Ų | 154 | 152.5 Ų | 152.5 | 79% | 0.79 | 86% | 0.857 | S | S | * | * | trans | 57.9 | 117.7 | 135 | -51.2 | 178 | 0 | 0 | 0 | 120.5 | ||||
| 4 | L | 35 | Very low | 36 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 82% | 0.822 | 85% | 0.85 | S | S | * | * | trans | -68.2 | 158.1 | 158.2 | -82.9 | 156.3 | 0 | 0 | 0 | 111.6 | ||||
| 5 | P | 40.2 | Very low | 37.1 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 84% | 0.838 | 84% | 0.844 | S | S | * | * | -148.8 | 172.2 | 99 | 32.5 | -11.5 | 0 | 0 | 0 | 116.6 | |||||
| 6 | A | 37.5 | Very low | 38.1 | Very low | 92 Ų | 92 | 145 Ų | 145 | 76% | 0.76 | 84% | 0.836 | S | S | * | * | trans | -72.4 | 155.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 7 | V | 35.2 | Very low | 39.1 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 87% | 0.873 | 83% | 0.832 | S | S | * | * | trans | -147.5 | 118.5 | 150.9 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 8 | S | 33 | Very low | 39.8 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 23.3 | 141 | 142.3 | -146.2 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 9 | M | 38.3 | Very low | 40.9 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -58.1 | 153 | 167.9 | -72.9 | 173.1 | 158.8 | 0 | 0 | 115.8 | ||||
| 10 | R | 32.8 | Very low | 41.6 | Very low | 253 Ų | 253 | 134.9 Ų | 134.9 | 96% | 0.955 | 79% | 0.793 | S | S | * | * | -167.3 | 139.6 | 126.4 | -103.4 | 173.3 | -159 | -152.9 | 5.4 | 112.5 | |||||
| 11 | L | 39.8 | Very low | 42.3 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -84.3 | 157.3 | 170 | -93.5 | 145.9 | 0 | 0 | 0 | 111.5 | ||||
| 12 | S | 36.9 | Very low | 43.2 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | 88.8 | 120.9 | 159.4 | 86.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 13 | S | 36.8 | Very low | 44.1 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | -163 | 128.5 | 128.6 | 57.4 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 14 | S | 46.2 | Very low | 45.2 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 154 | 175 | 29.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 15 | P | 51.9 | Low | 46 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 75% | 0.747 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 152.7 | 173.8 | 28.4 | -32 | 0 | 0 | 0 | 111.1 | ||
| 16 | P | 54.5 | Low | 46.4 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -68 | 152.5 | -175.2 | 29.5 | -34.2 | 0 | 0 | 0 | 111.3 | ||
| 17 | P | 54.7 | Low | 46.8 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 76% | 0.76 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 143.5 | 174 | 27.6 | -32.2 | 0 | 0 | 0 | 110.3 | ||
| 18 | P | 52.2 | Low | 47.6 | Very low | 80 Ų | 80 | 122.3 Ų | 122.3 | 52% | 0.519 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -65 | 147.5 | 176.3 | 25.9 | -32 | 0 | 0 | 0 | 111.2 | L22 | P18-L22 HydrophobicContact CB-CD2 4.41Š|
| 19 | S | 59.4 | Low | 48.4 | Very low | 68 Ų | 68 | 121.2 Ų | 121.2 | 48% | 0.476 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 149 | -178 | 57.9 | 0 | 0 | 0 | 0 | 112.8 | E21 L22 | S19-E21 PolarHBondContact O-N 3.2Å; S19-L22 PolarHBondContact O-N 3.02Å |
| 20 | P | 55.3 | Low | 48.6 | Very low | 113 Ų | 113 | 118.1 Ų | 118.1 | 73% | 0.734 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -59.2 | -17 | -178.8 | -0.7 | -2 | 0 | 0 | 0 | 114.9 | ||
| 21 | E | 57 | Low | 48.9 | Very low | 150 Ų | 150 | 112.3 Ų | 112.3 | 70% | 0.701 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -75.6 | -26.3 | -179.4 | -63.9 | -175.7 | 161.2 | 0 | 0 | 113.5 | S19 A24 L25 | S19-E21 PolarHBondContact O-N 3.2Å; E21-A24 PolarHBondContact O-N 3.48Å; E21-L25 PolarHBondContact O-N 3.29Å |
| 22 | L | 50.2 | Low | 48.9 | Very low | 97 Ų | 97 | 112.5 Ų | 112.5 | 51% | 0.508 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -74.3 | -31.6 | 179.4 | -155.2 | 77.7 | 0 | 0 | 0 | 111.8 | P18 S19 L26 | P18-L22 HydrophobicContact CB-CD2 4.41Å; S19-L22 PolarHBondContact O-N 3.02Å; L22-L26 PolarHBondContact O-N 3.12Å; L22-L26 VanDerWaalsContact O-N 3.12Å |
| 23 | W | 48.8 | Very low | 49.2 | Very low | 152 Ų | 152 | 111.4 Ų | 111.4 | 58% | 0.576 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.9 | -34.7 | 174.6 | -75 | 101.1 | 0 | 0 | 0 | 112.4 | L26 W27 | W23-L26 PolarHBondContact O-N 2.96Å; W23-W27 VanDerWaalsContact O-CD1 3.29Å; W23-W27 PolarHBondContact O-N 3.36Å |
| 24 | A | 53.9 | Low | 49.6 | Very low | 52 Ų | 52 | 109.8 Ų | 109.8 | 43% | 0.43 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.7 | -41.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E21 W27 I28 | E21-A24 PolarHBondContact O-N 3.48Å; A24-W27 PolarHBondContact O-N 2.97Å; A24-I28 WeakPolarHBondContact O-CD1 3.35Å; A24-I28 VanDerWaalsContact O-CG1 3.24Å; A24-I28 WeakPolarHBondContact O-CG1 3.47Å; A24-I28 PolarHBondContact O-N 3.03Å |
| 25 | L | 51.5 | Low | 49.4 | Very low | 108 Ų | 108 | 111.4 Ų | 111.4 | 57% | 0.565 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68 | -38.7 | 175.6 | -84.3 | 156.1 | 0 | 0 | 0 | 112.8 | E21 I28 V29 | E21-L25 PolarHBondContact O-N 3.29Å; L25-I28 PolarHBondContact O-N 3.46Å; L25-V29 WeakPolarHBondContact O-CG2 3.34Å; L25-V29 PolarHBondContact O-N 3.43Å |
| 26 | L | 48.8 | Very low | 48.7 | Very low | 89 Ų | 89 | 109.3 Ų | 109.3 | 47% | 0.466 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.5 | -37.4 | 174.8 | -103.3 | 142.8 | 0 | 0 | 0 | 112.6 | L22 W23 V29 L30 | L22-L26 PolarHBondContact O-N 3.12Å; L22-L26 VanDerWaalsContact O-N 3.12Å; W23-L26 PolarHBondContact O-N 2.96Å; L26-V29 PolarHBondContact O-N 2.92Å; L26-L30 HydrophobicContact CD2-CD1 4.21Å; L26-L30 WeakPolarHBondContact O-CB 3.46Å; L26-L30 PolarHBondContact O-N 3.48Å |
| 27 | W | 45.2 | Very low | 48 | Very low | 163 Ų | 163 | 107.8 Ų | 107.8 | 62% | 0.617 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.4 | -36.2 | 173.1 | -90.6 | 94.1 | 0 | 0 | 0 | 112.9 | W23 A24 Q31 | W23-W27 VanDerWaalsContact O-CD1 3.29Å; W23-W27 PolarHBondContact O-N 3.36Å; A24-W27 PolarHBondContact O-N 2.97Å; W27-Q31 HydrophobicContact CE3-CG 4.39Å; W27-Q31 WeakPolarHBondContact O-CB 3.24Å; W27-Q31 WeakPolarHBondContact O-CG 3.18Å; W27-Q31 PolarHBondContact O-N 2.94Å |
| 28 | I | 52 | Low | 47.8 | Very low | 92 Ų | 92 | 109.7 Ų | 109.7 | 47% | 0.472 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.3 | -47.6 | 173.6 | -70.1 | 165.6 | 0 | 0 | 0 | 109.8 | A24 L25 L30 Q31 F32 | A24-I28 WeakPolarHBondContact O-CD1 3.35Å; A24-I28 VanDerWaalsContact O-CG1 3.24Å; A24-I28 WeakPolarHBondContact O-CG1 3.47Å; A24-I28 PolarHBondContact O-N 3.03Å; L25-I28 PolarHBondContact O-N 3.46Å; I28-L30 PolarHBondContact O-N 3.3Å; I28-Q31 PolarHBondContact O-N 3.44Å; I28-F32 HydrophobicContact CG2-CD2 3.7Å; I28-F32 HydrophobicContact CG2-CE2 3.81Å; I28-F32 WeakPolarHBondContact O-CD2 3.34Å; I28-F32 PolarHBondContact O-N 2.89Å |
| 29 | V | 49.6 | Very low | 47.3 | Very low | 92 Ų | 92 | 114 Ų | 114 | 56% | 0.558 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.3 | -34.4 | 179.7 | 176.4 | 0 | 0 | 0 | 0 | 112.6 | L25 L26 S33 | L25-V29 WeakPolarHBondContact O-CG2 3.34Å; L25-V29 PolarHBondContact O-N 3.43Å; L26-V29 PolarHBondContact O-N 2.92Å; V29-S33 WeakPolarHBondContact O-CB 3.36Å; V29-S33 PolarHBondContact O-N 3.19Å; V29-S33 PolarHBondContact O-OG 2.8Å |
| 30 | L | 42.8 | Very low | 46.5 | Very low | 113 Ų | 113 | 114.5 Ų | 114.5 | 59% | 0.592 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.9 | -34.6 | 173.8 | -96.3 | 139 | 0 | 0 | 0 | 113.2 | L26 I28 S33 A34 | L26-L30 HydrophobicContact CD2-CD1 4.21Å; L26-L30 WeakPolarHBondContact O-CB 3.46Å; L26-L30 PolarHBondContact O-N 3.48Å; I28-L30 PolarHBondContact O-N 3.3Å; L30-S33 PolarHBondContact O-N 3.45Å; L30-A34 PolarHBondContact O-N 3.35Å |
| 31 | Q | 40 | Very low | 45.8 | Very low | 130 Ų | 130 | 116.2 Ų | 116.2 | 61% | 0.607 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.5 | -30.1 | 173 | -73.9 | -158.9 | -2.1 | 0 | 0 | 112.7 | W27 I28 S33 | W27-Q31 HydrophobicContact CE3-CG 4.39Å; W27-Q31 WeakPolarHBondContact O-CB 3.24Å; W27-Q31 WeakPolarHBondContact O-CG 3.18Å; W27-Q31 PolarHBondContact O-N 2.94Å; I28-Q31 PolarHBondContact O-N 3.44Å; Q31-S33 VanDerWaalsContact C-N 3.3Å; Q31-S33 PolarHBondContact O-N 3.49Å |
| 32 | F | 39.9 | Very low | 45.1 | Very low | 173 Ų | 173 | 118 Ų | 118 | 76% | 0.759 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.6 | -10.7 | 172.2 | -82.4 | -72.2 | 0 | 0 | 0 | 114.2 | I28 | I28-F32 HydrophobicContact CG2-CD2 3.7Å; I28-F32 HydrophobicContact CG2-CE2 3.81Å; I28-F32 WeakPolarHBondContact O-CD2 3.34Å; I28-F32 PolarHBondContact O-N 2.89Å |
| 33 | S | 43.7 | Very low | 44.9 | Very low | 96 Ų | 96 | 118.4 Ų | 118.4 | 67% | 0.671 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -1.6 | 177.4 | -55.5 | 0 | 0 | 0 | 0 | 114 | V29 L30 Q31 | V29-S33 WeakPolarHBondContact O-CB 3.36Å; V29-S33 PolarHBondContact O-N 3.19Å; V29-S33 PolarHBondContact O-OG 2.8Å; L30-S33 PolarHBondContact O-N 3.45Å; Q31-S33 VanDerWaalsContact C-N 3.3Å; Q31-S33 PolarHBondContact O-N 3.49Å |
| 34 | A | 44.8 | Very low | 44.7 | Very low | 83 Ų | 83 | 119.9 Ų | 119.9 | 69% | 0.686 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -110.4 | 18.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L30 | L30-A34 PolarHBondContact O-N 3.35Š|
| 35 | M | 40.7 | Very low | 44.8 | Very low | 145 Ų | 145 | 123.2 Ų | 123.2 | 71% | 0.714 | 67% | 0.668 | S | S | * | * | trans | -117.1 | 60 | 165.6 | -69.1 | -171.5 | 68 | 0 | 0 | 109.5 | C37 | M35-C37 PolarHBondContact O-N 2.78Š| ||
| 36 | G | 37.8 | Very low | 45.1 | Very low | 71 Ų | 71 | 126 Ų | 126 | 73% | 0.732 | 68% | 0.675 | S | S | * | * | trans | -62.7 | 69.6 | 147.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | I38 | G36-I38 PolarHBondContact O-N 2.71Š| ||
| 37 | C | 39.7 | Very low | 46.1 | Very low | 80 Ų | 80 | 123.9 Ų | 123.9 | 54% | 0.541 | 67% | 0.668 | S | S | . | * | trans | -65.5 | 90.5 | 158.1 | -74.1 | 0 | 0 | 0 | 0 | 105 | M35 Q39 | M35-C37 PolarHBondContact O-N 2.78Å; C37-Q39 HydrophobicContact CB-CG 4.02Å; C37-Q39 PolarHBondContact O-N 2.82Å | ||
| 38 | I | 50.4 | Low | 47.5 | Very low | 157 Ų | 157 | 117.3 Ų | 117.3 | 81% | 0.805 | 64% | 0.644 | S | S | * | * | trans | -56.4 | 78.6 | 141 | -56.3 | 172.5 | 0 | 0 | 0 | 103.9 | G36 S40 | G36-I38 PolarHBondContact O-N 2.71Å; I38-S40 PolarHBondContact O-N 2.76Å | ||
| 39 | Q | 42.3 | Very low | 48.4 | Very low | 170 Ų | 170 | 120.6 Ų | 120.6 | 79% | 0.794 | 65% | 0.65 | S | S | * | * | trans | -63 | 82.8 | 150 | -69.1 | -172.3 | -7.9 | 0 | 0 | 102.5 | C37 L41 | C37-Q39 HydrophobicContact CB-CG 4.02Å; C37-Q39 PolarHBondContact O-N 2.82Å; Q39-L41 PolarHBondContact O-N 2.85Å | ||
| 40 | S | 41.2 | Very low | 49.5 | Very low | 78 Ų | 78 | 121.5 Ų | 121.5 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | trans | -35.6 | 109.6 | 145.1 | 153.9 | 0 | 0 | 0 | 0 | 103.4 | I38 K42 | I38-S40 PolarHBondContact O-N 2.76Å; S40-K42 PolarHBondContact O-N 2.79Å | ||
| 41 | L | 42.3 | Very low | 51.5 | Low | 150 Ų | 150 | 117.3 Ų | 117.3 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | trans | -46 | 97.8 | 149.7 | -71.3 | 158.3 | 0 | 0 | 0 | 102.3 | Q39 C43 | Q39-L41 PolarHBondContact O-N 2.85Å; L41-C43 PolarHBondContact O-N 2.69Å | ||
| 42 | K | 42 | Very low | 54.1 | Low | 187 Ų | 187 | 111.9 Ų | 111.9 | 81% | 0.813 | 61% | 0.608 | S | S | * | * | trans | -64.7 | 78.6 | 161.6 | -88.8 | -177.1 | 176 | 176.6 | 0 | 102.2 | S40 K44 | S40-K42 PolarHBondContact O-N 2.79Å; K42-K44 PolarHBondContact O-N 2.68Å | ||
| 43 | C | 45.8 | Very low | 56.7 | Low | 105 Ų | 105 | 107.9 Ų | 107.9 | 71% | 0.709 | 59% | 0.594 | S | S | * | * | trans | -50 | 99.7 | 154 | -67 | 0 | 0 | 0 | 0 | 102 | L41 P45 | L41-C43 PolarHBondContact O-N 2.69Å; C43-P45 WeakPolarHBondContact O-CD 3.5Å | ||
| 44 | K | 45.3 | Very low | 59.3 | Low | 183 Ų | 183 | 104.8 Ų | 104.8 | 80% | 0.796 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 123.2 | 168.5 | -75.1 | -178.1 | 176.7 | 179.8 | 0 | 104.2 | K42 K46 | K42-K44 PolarHBondContact O-N 2.68Å; K44-K46 PolarHBondContact O-N 2.97Å |
| 45 | P | 54.8 | Low | 61.8 | Low | 123 Ų | 123 | 104.3 Ų | 104.3 | 80% | 0.799 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 122.4 | 177.6 | 18.1 | -28.2 | 0 | 0 | 0 | 105.7 | C43 S47 | C43-P45 WeakPolarHBondContact O-CD 3.5Å; P45-S47 PolarHBondContact O-N 2.67Å; P45-S47 VanDerWaalsContact O-N 3.14Å |
| 46 | K | 58.7 | Low | 64.5 | Low | 165 Ų | 165 | 100.9 Ų | 100.9 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 129.2 | -179.6 | -77.2 | -175.6 | 175.9 | -178.5 | 0 | 106.2 | K44 S51 | K44-K46 PolarHBondContact O-N 2.97Å; K46-S51 VanDerWaalsContact CB-OG 3.22Å; K46-S51 WeakPolarHBondContact CB-OG 3.44Å |
| 47 | S | 69.1 | Low | 67.4 | Low | 45 Ų | 45 | 99.2 Ų | 99.2 | 32% | 0.315 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 149 | 175.4 | 70.8 | 0 | 0 | 0 | 0 | 108.3 | P45 R49 D50 S51 | P45-S47 PolarHBondContact O-N 2.67Å; P45-S47 VanDerWaalsContact O-N 3.14Å; S47-R49 PolarHBondContact O-N 3.26Å; S47-R49 VanDerWaalsContact O-N 3.11Å; S47-R49 WeakPolarHBondContact OG-CB 3.22Å; S47-D50 PolarHBondContact O-N 3.14Å; S47-D50 PolarHBondContact OG-N 3.36Å; S47-D50 PolarHBondContact OG-OD2 2.67Å; S47-S51 PolarHBondContact O-N 2.92Å; S47-S51 PolarHBondContact O-OG 3.36Å |
| 48 | F | 74.9 | Confident | 70.2 | Confident | 25 Ų | 25 | 97.8 Ų | 97.8 | 11% | 0.11 | 50% | 0.504 | C | S | . | . | G | 310 helix | trans | -50.6 | -38.2 | 175.3 | 179.3 | -92 | 0 | 0 | 0 | 110.4 | D50 S51 V52 V91 P92 V94 W100 A209 | F48-D50 PolarHBondContact O-N 3.47Å; F48-S51 PolarHBondContact O-N 3.11Å; F48-S51 VanDerWaalsContact O-N 3.07Å; F48-V52 HydrophobicContact CD1-CG2 3.97Å; F48-V52 HydrophobicContact CE1-CG2 3.42Å; F48-V52 VanDerWaalsContact CE1-CG2 3.42Å; F48-V52 HydrophobicContact CE2-CG2 4.08Å; F48-V52 HydrophobicContact CZ-CG2 3.5Å; F48-V52 VanDerWaalsContact CZ-CG2 3.5Å; F48-V52 PolarHBondContact O-N 2.91Å; F48-V91 HydrophobicContact CE2-CG1 3.86Å; F48-V91 HydrophobicContact CZ-CG1 3.94Å; F48-P92 HydrophobicContact CD2-CG 4.04Å; F48-P92 HydrophobicContact CE2-CG 4.1Å; F48-V94 HydrophobicContact CE2-CG2 3.96Å; F48-W100 HydrophobicContact CB-CH2 4.12Å; F48-W100 HydrophobicContact CB-CZ2 3.64Å; F48-W100 AromaticContact CD1-CD2 3.57Å; F48-W100 HydrophobicContact CD1-CD2 3.57Å; F48-W100 AromaticContact CD1-CE2 3.45Å; F48-W100 VanDerWaalsContact CD1-CE2 3.45Å; F48-W100 AromaticContact CD1-CE3 3.57Å; F48-W100 HydrophobicContact CD1-CE3 3.57Å; F48-W100 HydrophobicContact CD1-CG 4.39Å; F48-W100 AromaticContact CD1-CH2 3.37Å; F48-W100 HydrophobicContact CD1-CH2 3.37Å; F48-W100 AromaticContact CD1-CZ2 3.37Å; F48-W100 HydrophobicContact CD1-CZ2 3.37Å; F48-W100 AromaticContact CD1-CZ3 3.48Å; F48-W100 HydrophobicContact CD1-CZ3 3.48Å; F48-W100 VanDerWaalsContact CD1-CZ3 3.48Å; F48-W100 HydrophobicContact CD2-CD2 4.34Å; F48-W100 AromaticContact CD2-CE2 3.89Å; F48-W100 HydrophobicContact CD2-CZ2 4.26Å; F48-W100 AromaticContact CD2-NE1 3.81Å; F48-W100 HydrophobicContact CE1-CB 4.38Å; F48-W100 AromaticContact CE1-CD2 3.29Å; F48-W100 HydrophobicContact CE1-CD2 3.29Å; F48-W100 AromaticContact CE1-CE2 3.69Å; F48-W100 AromaticContact CE1-CE3 3.27Å; F48-W100 HydrophobicContact CE1-CE3 3.27Å; F48-W100 AromaticContact CE1-CG 3.82Å; F48-W100 HydrophobicContact CE1-CG 3.82Å; F48-W100 HydrophobicContact CE1-CH2 4.02Å; F48-W100 HydrophobicContact CE1-CZ2 4.05Å; F48-W100 AromaticContact CE1-CZ3 3.65Å; F48-W100 HydrophobicContact CE1-CZ3 3.65Å; F48-W100 AromaticContact CE2-CD1 3.89Å; F48-W100 HydrophobicContact CE2-CD2 4.13Å; F48-W100 AromaticContact CE2-CG 3.98Å; F48-W100 HydrophobicContact CE2-CG 3.98Å; F48-W100 AromaticContact CE2-NE1 3.97Å; F48-W100 HydrophobicContact CG-CD2 4.08Å; F48-W100 AromaticContact CG-CE2 3.55Å; F48-W100 HydrophobicContact CG-CE3 4.49Å; F48-W100 AromaticContact CG-CH2 3.95Å; F48-W100 HydrophobicContact CG-CH2 3.95Å; F48-W100 AromaticContact CG-CZ2 3.49Å; F48-W100 HydrophobicContact CG-CZ2 3.49Å; F48-W100 VanDerWaalsContact CG-CZ2 3.49Å; F48-W100 HydrophobicContact CG-CZ3 4.43Å; F48-W100 AromaticContact CG-NE1 3.94Å; F48-W100 HydrophobicContact CZ-CB 3.96Å; F48-W100 AromaticContact CZ-CD1 3.98Å; F48-W100 AromaticContact CZ-CD2 3.6Å; F48-W100 HydrophobicContact CZ-CD2 3.6Å; F48-W100 HydrophobicContact CZ-CE3 4.01Å; F48-W100 AromaticContact CZ-CG 3.58Å; F48-W100 HydrophobicContact CZ-CG 3.58Å; F48-A209 HydrophobicContact CE1-CB 4Å |
| 49 | R | 69.9 | Low | 72.5 | Confident | 161 Ų | 161 | 91.7 Ų | 91.7 | 61% | 0.608 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -50.4 | -45.4 | 171.7 | 169.2 | 172.1 | -172.7 | -177.5 | 3.2 | 114.9 | S47 S51 V218 | S47-R49 PolarHBondContact O-N 3.26Å; S47-R49 VanDerWaalsContact O-N 3.11Å; S47-R49 WeakPolarHBondContact OG-CB 3.22Å; R49-S51 PolarHBondContact O-N 3.43Å; R49-V218 HydrophobicContact CB-CG1 3.99Å; R49-V218 HydrophobicContact CB-CG2 3.72Å; R49-V218 HydrophobicContact CG-CG1 3.72Å; R49-V218 HydrophobicContact CG-CG2 4.18Å |
| 50 | D | 73.9 | Confident | 75.2 | Confident | 111 Ų | 111 | 85.8 Ų | 85.8 | 59% | 0.594 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -83 | 0.2 | -177.1 | -57.5 | -44 | 0 | 0 | 0 | 113 | S47 F48 | S47-D50 PolarHBondContact O-N 3.14Å; S47-D50 PolarHBondContact OG-N 3.36Å; S47-D50 PolarHBondContact OG-OD2 2.67Å; F48-D50 PolarHBondContact O-N 3.47Å |
| 51 | S | 84.8 | Confident | 77.9 | Confident | 26 Ų | 26 | 82.2 Ų | 82.2 | 18% | 0.182 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -22 | -166.4 | -56.5 | 0 | 0 | 0 | 0 | 113.5 | K46 S47 F48 R49 I53 | K46-S51 VanDerWaalsContact CB-OG 3.22Å; K46-S51 WeakPolarHBondContact CB-OG 3.44Å; S47-S51 PolarHBondContact O-N 2.92Å; S47-S51 PolarHBondContact O-OG 3.36Å; F48-S51 PolarHBondContact O-N 3.11Å; F48-S51 VanDerWaalsContact O-N 3.07Å; R49-S51 PolarHBondContact O-N 3.43Å; S51-I53 PolarHBondContact O-N 3.08Å |
| 52 | V | 93.8 | Very high | 80.5 | Confident | 16 Ų | 16 | 76.7 Ų | 76.7 | 10% | 0.097 | 40% | 0.397 | C | S | . | . | trans | -73.3 | 124.6 | 171.4 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | F48 L89 L220 | F48-V52 HydrophobicContact CD1-CG2 3.97Å; F48-V52 HydrophobicContact CE1-CG2 3.42Å; F48-V52 VanDerWaalsContact CE1-CG2 3.42Å; F48-V52 HydrophobicContact CE2-CG2 4.08Å; F48-V52 HydrophobicContact CZ-CG2 3.5Å; F48-V52 VanDerWaalsContact CZ-CG2 3.5Å; F48-V52 PolarHBondContact O-N 2.91Å; V52-L89 HydrophobicContact CG1-CD2 4.36Å; V52-L220 HydrophobicContact CB-CD2 4.03Å; V52-L220 HydrophobicContact CG1-CD1 3.81Å; V52-L220 HydrophobicContact CG1-CD2 3.97Å | ||
| 53 | I | 95.6 | Very high | 83 | Confident | 88 Ų | 88 | 73 Ų | 73 | 45% | 0.451 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.8 | -178.7 | -60.1 | 168 | 0 | 0 | 0 | 109.4 | S51 L55 L89 L90 | S51-I53 PolarHBondContact O-N 3.08Å; I53-L55 HydrophobicContact CG2-CD2 4.1Å; I53-L55 PolarHBondContact O-N 2.88Å; I53-L89 CarbonylContact O-C 3.57Å; I53-L89 WeakPolarHBondContact O-CA 3.34Å; I53-L90 HydrophobicContact CB-CB 4.23Å; I53-L90 HydrophobicContact CD1-CD2 4.37Å; I53-L90 PolarHBondContact N-O 2.97Å; I53-L90 PolarHBondContact O-N 3.37Å |
| 54 | V | 97.2 | Very high | 85.2 | Confident | 31 Ų | 31 | 72 Ų | 72 | 19% | 0.188 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 103.8 | 168.7 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | E56 L57 L89 L207 L220 R221 | V54-E56 WeakPolarHBondContact CG1-O 3.38Å; V54-L57 HydrophobicContact CG1-CB 4.08Å; V54-L89 HydrophobicContact CB-CD2 4.41Å; V54-L89 HydrophobicContact CG2-CD2 3.86Å; V54-L207 HydrophobicContact CG1-CD2 4.39Å; V54-L207 HydrophobicContact CG2-CD2 4.09Å; V54-L220 HydrophobicContact CG2-CB 4.02Å; V54-R221 HydrophobicContact CG2-CG 4.23Å |
| 55 | L | 97.6 | Very high | 87.5 | Confident | 74 Ų | 74 | 66.8 Ų | 66.8 | 39% | 0.387 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | -39.4 | -178.7 | -63.1 | 175.8 | 0 | 0 | 0 | 112 | I53 R88 L90 K167 | I53-L55 HydrophobicContact CG2-CD2 4.1Å; I53-L55 PolarHBondContact O-N 2.88Å; L55-R88 HydrophobicContact CB-CB 4.29Å; L55-R88 WeakPolarHBondContact CB-O 3.14Å; L55-R88 PolarHBondContact N-O 2.99Å; L55-L90 HydrophobicContact CD1-CB 4.03Å; L55-L90 HydrophobicContact CD2-CB 4.07Å; L55-L90 HydrophobicContact CG-CB 3.99Å; L55-K167 HydrophobicContact CD1-CD 4.39Å; L55-K167 HydrophobicContact CD1-CG 4.36Å |
| 56 | E | 97.9 | Very high | 89.5 | Confident | 73 Ų | 73 | 61.3 Ų | 61.3 | 34% | 0.341 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 141.8 | 178 | -176.4 | 179.3 | 168.7 | 0 | 0 | 108.6 | V54 A87 R88 | V54-E56 WeakPolarHBondContact CG1-O 3.38Å; E56-A87 CarbonylContact O-C 3.58Å; E56-A87 VanDerWaalsContact O-CA 3.24Å; E56-A87 WeakPolarHBondContact O-CA 3.43Å; E56-R88 HydrophobicContact CB-CB 4.08Å; E56-R88 HydrophobicContact CB-CG 4.42Å; E56-R88 PolarHBondContact N-O 3.22Å; E56-R88 PolarHBondContact O-N 3.07Å; E56-R88 IonicContact OE2-CZ 2.8Å; E56-R88 IonicContact OE2-NE 3.93Å; E56-R88 PolarHBondContact OE2-NE 2.93Å; E56-R88 IonicContact OE2-NH2 3.75Å; E56-R88 PolarHBondContact OE2-NH2 3.28Å |
| 57 | L | 98.4 | Very high | 91.3 | Very high | 35 Ų | 35 | 56.6 Ų | 56.6 | 18% | 0.183 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 124.3 | 168.9 | 176.5 | 65.5 | 0 | 0 | 0 | 107.9 | V54 H86 A87 W104 R221 I223 I256 | V54-L57 HydrophobicContact CG1-CB 4.08Å; L57-H86 WeakPolarHBondContact CA-O 3.26Å; L57-A87 HydrophobicContact CD1-CB 4.19Å; L57-W104 HydrophobicContact CD1-CH2 3.67Å; L57-W104 HydrophobicContact CD1-CZ3 4.48Å; L57-R221 HydrophobicContact CD2-CB 3.88Å; L57-R221 HydrophobicContact CD2-CG 3.72Å; L57-I223 HydrophobicContact CD1-CD1 4.27Å; L57-I256 HydrophobicContact CD2-CB 4.46Å; L57-I256 HydrophobicContact CD2-CD1 3.65Å; L57-I256 HydrophobicContact CD2-CG1 3.91Å; L57-I256 HydrophobicContact CD2-CG2 3.69Å; L57-I256 HydrophobicContact CG-CD1 3.85Å; L57-I256 HydrophobicContact CG-CG1 4.47Å |
| 58 | S | 98.3 | Very high | 92.7 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 36% | 0.357 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.5 | 172.7 | 59.4 | 0 | 0 | 0 | 0 | 110.2 | A85 H86 | S58-A85 WeakPolarHBondContact O-CA 3.39Å; S58-H86 PolarHBondContact N-O 3.35Å; S58-H86 PolarHBondContact O-N 2.8Å |
| 59 | T | 98.6 | Very high | 93.8 | Very high | 29 Ų | 29 | 58.6 Ų | 58.6 | 18% | 0.178 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 143.3 | 176.3 | -176 | 0 | 0 | 0 | 0 | 109.9 | F83 R84 I223 P254 I256 | T59-F83 WeakPolarHBondContact OG1-CE2 3.42Å; T59-R84 CarbonylContact C-O 3.34Å; T59-R84 WeakPolarHBondContact CA-O 3.35Å; T59-R84 PolarHBondContact OG1-O 3.26Å; T59-I223 HydrophobicContact CG2-CD1 4.4Å; T59-I223 HydrophobicContact CG2-CG2 4.17Å; T59-P254 HydrophobicContact CG2-CB 4.03Å; T59-P254 HydrophobicContact CG2-CG 3.75Å; T59-P254 WeakPolarHBondContact OG1-CB 3.4Å; T59-P254 WeakPolarHBondContact OG1-CG 3.45Å; T59-I256 HydrophobicContact CG2-CD1 3.96Å; T59-I256 HydrophobicContact CG2-CG1 3.61Å |
| 60 | S | 98.6 | Very high | 95.1 | Very high | 45 Ų | 45 | 51.8 Ų | 51.8 | 32% | 0.315 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 160.3 | -177.4 | 58.7 | 0 | 0 | 0 | 0 | 111 | F83 R84 | S60-F83 CarbonylContact O-C 3.59Å; S60-F83 WeakPolarHBondContact O-CA 3.43Å; S60-R84 PolarHBondContact N-O 3.38Å; S60-R84 PolarHBondContact O-N 3.35Å |
| 61 | I | 98.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 131.1 | 156.9 | -71.5 | 163.9 | 0 | 0 | 0 | 107.8 | P81 H82 F83 W225 Q251 E252 Q253 | I61-P81 HydrophobicContact CG2-CB 3.85Å; I61-H82 WeakPolarHBondContact CA-O 3.25Å; I61-F83 HydrophobicContact CG1-CB 4.05Å; I61-F83 HydrophobicContact CG1-CD2 4.13Å; I61-W225 HydrophobicContact CD1-CE3 4.24Å; I61-Q251 HydrophobicContact CB-CB 4.41Å; I61-Q251 HydrophobicContact CD1-CB 4.13Å; I61-Q251 HydrophobicContact CG2-CB 3.78Å; I61-Q251 HydrophobicContact CG2-CG 4.07Å; I61-E252 WeakPolarHBondContact CD1-O 3.45Å; I61-Q253 PolarHBondContact O-NE2 2.82Å |
| 62 | D | 97.2 | Very high | 96.7 | Very high | 34 Ų | 34 | 50.5 Ų | 50.5 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | trans | -52.6 | 141 | 178.9 | -69 | -12.9 | 0 | 0 | 0 | 110.7 | N64 P81 H82 R84 | D62-N64 VanDerWaalsContact C-N 3.31Å; D62-N64 WeakPolarHBondContact CB-OD1 3.24Å; D62-N64 PolarHBondContact O-N 2.81Å; D62-P81 HydrophobicContact CB-CB 4.09Å; D62-P81 VanDerWaalsContact O-CB 3.29Å; D62-P81 WeakPolarHBondContact O-CB 3.39Å; D62-H82 PolarHBondContact N-O 2.89Å; D62-H82 WeakPolarHBondContact OD2-CB 3.32Å; D62-H82 IonicContact OD2-CD2 2.65Å; D62-R84 WeakPolarHBondContact OD1-CD 3.24Å; D62-R84 IonicContact OD1-CZ 2.66Å; D62-R84 IonicContact OD1-NE 2.61Å; D62-R84 PolarHBondContact OD1-NE 3.42Å; D62-R84 IonicContact OD1-NH2 3.42Å; D62-R84 IonicContact OD2-CZ 3.65Å; D62-R84 IonicContact OD2-NE 3.28Å; D62-R84 PolarHBondContact OD2-NE 2.7Å; D62-R84 IonicContact OD2-NH2 3.82Å; D62-R84 PolarHBondContact OD2-NH2 2.71Å | ||
| 63 | S | 93.6 | Very high | 96.6 | Very high | 110 Ų | 110 | 54.4 Ų | 54.4 | 77% | 0.769 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -78.5 | -13.6 | -172 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 64 | N | 92.9 | Very high | 96.5 | Very high | 83 Ų | 83 | 54.3 Ų | 54.3 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -60.6 | 142.8 | 174.7 | 33.8 | -92 | 0 | 0 | 0 | 110.7 | D62 P81 | D62-N64 VanDerWaalsContact C-N 3.31Å; D62-N64 WeakPolarHBondContact CB-OD1 3.24Å; D62-N64 PolarHBondContact O-N 2.81Å; N64-P81 WeakPolarHBondContact O-CB 3.32Å; N64-P81 WeakPolarHBondContact O-CG 3.5Å |
| 65 | P | 93.2 | Very high | 96.4 | Very high | 73 Ų | 73 | 53.7 Ų | 53.7 | 47% | 0.474 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 167.1 | 174.9 | 30.6 | -35.2 | 0 | 0 | 0 | 111.5 | S67 L245 | P65-S67 PolarHBondContact O-N 2.92Å; P65-L245 HydrophobicContact CB-CD2 4.29Å |
| 66 | T | 96.9 | Very high | 96.5 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -59 | 124.1 | 169.6 | -63.5 | 0 | 0 | 0 | 0 | 110.1 | Y78 R79 T80 | T66-Y78 HydrophobicContact CG2-CD2 4.01Å; T66-Y78 HydrophobicContact CG2-CG 4.43Å; T66-R79 CarbonylContact C-O 3.58Å; T66-R79 VanDerWaalsContact CA-O 3.3Å; T66-R79 WeakPolarHBondContact CA-O 3.48Å; T66-R79 WeakPolarHBondContact CG2-O 3.33Å; T66-T80 HydrophobicContact CG2-CG2 4.41Å |
| 67 | S | 96.8 | Very high | 96.5 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 138.9 | 175 | 65.2 | 0 | 0 | 0 | 0 | 110.7 | P65 Y78 R79 | P65-S67 PolarHBondContact O-N 2.92Å; S67-Y78 CarbonylContact O-C 3.48Å; S67-Y78 WeakPolarHBondContact O-CA 3.28Å; S67-Y78 WeakPolarHBondContact O-CB 3.35Å; S67-R79 PolarHBondContact N-O 3.18Å; S67-R79 PolarHBondContact O-N 2.67Å; S67-R79 WeakPolarHBondContact OG-CB 3.48Å |
| 68 | I | 97.9 | Very high | 96.4 | Very high | 52 Ų | 52 | 48.6 Ų | 48.6 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.3 | 177.1 | -59.7 | 169.7 | 0 | 0 | 0 | 108.7 | E70 L76 I231 A243 L245 | I68-E70 HydrophobicContact CG2-CG 4.17Å; I68-L76 HydrophobicContact CG2-CD1 4.11Å; I68-L76 HydrophobicContact CG2-CD2 4.28Å; I68-L76 HydrophobicContact CG2-CG 4.15Å; I68-I231 HydrophobicContact CD1-CD1 4.1Å; I68-I231 HydrophobicContact CD1-CG1 4.04Å; I68-I231 HydrophobicContact CD1-CG2 3.85Å; I68-I231 HydrophobicContact CG1-CD1 4.1Å; I68-A243 HydrophobicContact CD1-CB 4.32Å; I68-A243 HydrophobicContact CG2-CB 3.87Å; I68-L245 HydrophobicContact CD1-CB 4.11Å |
| 69 | D | 97.6 | Very high | 96.4 | Very high | 60 Ų | 60 | 51.3 Ų | 51.3 | 32% | 0.321 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 115.9 | 176.7 | 169.8 | 27.1 | 0 | 0 | 0 | 109.7 | A71 R77 | D69-A71 WeakPolarHBondContact OD1-CB 3.46Å; D69-A71 PolarHBondContact OD1-N 2.83Å; D69-R77 HydrophobicContact CB-CB 4.17Å; D69-R77 PolarHBondContact N-O 2.69Å; D69-R77 PolarHBondContact O-N 2.78Å |
| 70 | E | 97.5 | Very high | 96.3 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | trans | -107 | 14.2 | 177.8 | -56.1 | -172.3 | -143.9 | 0 | 0 | 112.5 | I68 S72 W182 L239 G240 Q241 R242 A243 | I68-E70 HydrophobicContact CG2-CG 4.17Å; E70-S72 PolarHBondContact O-N 3.43Å; E70-S72 VanDerWaalsContact O-N 3.08Å; E70-W182 HydrophobicContact CB-CH2 4.22Å; E70-W182 HydrophobicContact CB-CZ2 4.08Å; E70-W182 HydrophobicContact CG-CH2 3.87Å; E70-W182 HydrophobicContact CG-CZ2 4.22Å; E70-L239 HydrophobicContact CB-CD1 4.29Å; E70-L239 WeakPolarHBondContact O-CD1 3.45Å; E70-L239 WeakPolarHBondContact O-CD2 3.16Å; E70-L239 WeakPolarHBondContact O-CG 3.37Å; E70-G240 WeakPolarHBondContact OE2-CA 3.4Å; E70-G240 PolarHBondContact OE2-N 2.85Å; E70-Q241 PolarHBondContact OE2-N 2.88Å; E70-R242 PolarHBondContact OE1-N 2.87Å; E70-R242 VanDerWaalsContact OE1-N 3.11Å; E70-R242 VanDerWaalsContact OE2-CB 3.3Å; E70-R242 WeakPolarHBondContact OE2-CB 3.16Å; E70-R242 PolarHBondContact OE2-N 2.95Å; E70-A243 HydrophobicContact CG-CB 4.45Å; E70-A243 WeakPolarHBondContact OE1-CB 3.14Å; E70-A243 PolarHBondContact OE1-N 2.83Å | ||
| 71 | A | 96.3 | Very high | 96.3 | Very high | 84 Ų | 84 | 48.1 Ų | 48.1 | 69% | 0.694 | 29% | 0.285 | S | S | * | . | trans | -63 | -20.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D69 | D69-A71 WeakPolarHBondContact OD1-CB 3.46Å; D69-A71 PolarHBondContact OD1-N 2.83Å | ||
| 72 | S | 95.6 | Very high | 96.3 | Very high | 27 Ų | 27 | 50 Ų | 50 | 19% | 0.189 | 29% | 0.294 | C | S | . | . | trans | -91.6 | 132.9 | 178.8 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | E70 V74 V75 W182 | E70-S72 PolarHBondContact O-N 3.43Å; E70-S72 VanDerWaalsContact O-N 3.08Å; S72-V74 PolarHBondContact O-N 3.35Å; S72-V74 PolarHBondContact OG-N 2.94Å; S72-V75 WeakPolarHBondContact CB-O 3.48Å; S72-V75 PolarHBondContact OG-N 3.28Å; S72-W182 PolarHBondContact O-NE1 3.31Å | ||
| 73 | S | 92.9 | Very high | 96.3 | Very high | 97 Ų | 97 | 48.4 Ų | 48.4 | 68% | 0.678 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -71.6 | -7 | 172.2 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | W182 | S73-W182 VanDerWaalsContact C-CD1 3.47Å; S73-W182 VanDerWaalsContact O-CD1 3.26Å |
| 74 | V | 93.3 | Very high | 96.6 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 52% | 0.521 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -109.5 | -35.8 | -175.8 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | S72 W182 | S72-V74 PolarHBondContact O-N 3.35Å; S72-V74 PolarHBondContact OG-N 2.94Å; V74-W182 VanDerWaalsContact O-CD1 3.28Å; V74-W182 PolarHBondContact O-N 2.77Å |
| 75 | V | 96.1 | Very high | 96.8 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 11% | 0.109 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 149 | -176.1 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | S72 R77 V180 T181 W182 | S72-V75 WeakPolarHBondContact CB-O 3.48Å; S72-V75 PolarHBondContact OG-N 3.28Å; V75-R77 HydrophobicContact CG2-CG 4.26Å; V75-V180 CarbonylContact C-O 3.16Å; V75-V180 WeakPolarHBondContact CA-O 3.48Å; V75-V180 WeakPolarHBondContact CB-O 3.34Å; V75-T181 HydrophobicContact CG1-CG2 4.27Å; V75-W182 VanDerWaalsContact C-NE1 3.33Å; V75-W182 PolarHBondContact O-NE1 3.48Å |
| 76 | L | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 133.8 | 158.1 | -176.9 | 153 | 0 | 0 | 0 | 108.6 | I68 Y78 V180 W182 L194 I197 V233 A243 | I68-L76 HydrophobicContact CG2-CD1 4.11Å; I68-L76 HydrophobicContact CG2-CD2 4.28Å; I68-L76 HydrophobicContact CG2-CG 4.15Å; L76-Y78 HydrophobicContact CD2-CD1 3.91Å; L76-V180 PolarHBondContact N-O 2.78Å; L76-V180 PolarHBondContact O-N 3.09Å; L76-W182 HydrophobicContact CB-CD2 4.49Å; L76-W182 HydrophobicContact CB-CE3 4.28Å; L76-W182 HydrophobicContact CB-CH2 3.61Å; L76-W182 HydrophobicContact CB-CZ2 3.79Å; L76-W182 HydrophobicContact CB-CZ3 3.84Å; L76-W182 HydrophobicContact CD1-CH2 3.66Å; L76-W182 HydrophobicContact CD1-CZ3 3.75Å; L76-W182 HydrophobicContact CG-CH2 3.99Å; L76-W182 HydrophobicContact CG-CZ2 4.49Å; L76-W182 HydrophobicContact CG-CZ3 4.35Å; L76-L194 HydrophobicContact CB-CD2 4.39Å; L76-I197 HydrophobicContact CD1-CD1 4.42Å; L76-I197 HydrophobicContact CD2-CD1 3.75Å; L76-V233 HydrophobicContact CD1-CG2 4.14Å; L76-A243 HydrophobicContact CD1-CB 3.49Å; L76-A243 VanDerWaalsContact CD1-CB 3.49Å |
| 77 | R | 98.3 | Very high | 97.2 | Very high | 75 Ų | 75 | 42.9 Ų | 42.9 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 146.9 | 168.4 | -64.2 | -173.7 | -177.9 | 89.5 | 3 | 109.8 | D69 V75 S179 | D69-R77 HydrophobicContact CB-CB 4.17Å; D69-R77 PolarHBondContact N-O 2.69Å; D69-R77 PolarHBondContact O-N 2.78Å; V75-R77 HydrophobicContact CG2-CG 4.26Å; R77-S179 PolarHBondContact NE-OG 2.98Å |
| 78 | Y | 97.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 151.9 | 168.2 | 66.5 | -97.5 | 0 | 0 | 0 | 110 | T66 S67 L76 T80 F113 Y177 P178 V180 I197 L229 I231 | T66-Y78 HydrophobicContact CG2-CD2 4.01Å; T66-Y78 HydrophobicContact CG2-CG 4.43Å; S67-Y78 CarbonylContact O-C 3.48Å; S67-Y78 WeakPolarHBondContact O-CA 3.28Å; S67-Y78 WeakPolarHBondContact O-CB 3.35Å; L76-Y78 HydrophobicContact CD2-CD1 3.91Å; Y78-T80 HydrophobicContact CD2-CG2 4.16Å; Y78-T80 HydrophobicContact CE2-CG2 4.03Å; Y78-F113 WeakPolarHBondContact OH-CZ 3.2Å; Y78-Y177 WeakPolarHBondContact O-CA 3.47Å; Y78-Y177 WeakPolarHBondContact O-CD2 3.27Å; Y78-P178 HydrophobicContact CD1-CG 4.08Å; Y78-P178 HydrophobicContact CD2-CG 4.25Å; Y78-P178 HydrophobicContact CE1-CG 3.43Å; Y78-P178 VanDerWaalsContact CE1-CG 3.43Å; Y78-P178 HydrophobicContact CE2-CG 3.62Å; Y78-P178 HydrophobicContact CG-CG 4.46Å; Y78-P178 WeakPolarHBondContact O-CD 3.18Å; Y78-P178 WeakPolarHBondContact OH-CG 3.28Å; Y78-V180 HydrophobicContact CE1-CG2 4.25Å; Y78-I197 HydrophobicContact CD1-CD1 4.31Å; Y78-I197 HydrophobicContact CE1-CD1 4.24Å; Y78-I197 HydrophobicContact CE1-CG2 4.07Å; Y78-L229 HydrophobicContact CD2-CD2 4.12Å; Y78-L229 HydrophobicContact CE2-CD1 4.3Å; Y78-L229 HydrophobicContact CE2-CD2 3.4Å; Y78-L229 VanDerWaalsContact CE2-CD2 3.4Å; Y78-I231 HydrophobicContact CD1-CD1 3.78Å; Y78-I231 HydrophobicContact CE1-CD1 4.4Å; Y78-I231 HydrophobicContact CG-CD1 3.86Å |
| 79 | R | 97.6 | Very high | 97.2 | Very high | 108 Ų | 108 | 42.2 Ų | 42.2 | 41% | 0.408 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 119.7 | 176.1 | -167.3 | -179.3 | -67.2 | 156.5 | 2 | 109.4 | T66 S67 N175 F176 Y177 | T66-R79 CarbonylContact C-O 3.58Å; T66-R79 VanDerWaalsContact CA-O 3.3Å; T66-R79 WeakPolarHBondContact CA-O 3.48Å; T66-R79 WeakPolarHBondContact CG2-O 3.33Å; S67-R79 PolarHBondContact N-O 3.18Å; S67-R79 PolarHBondContact O-N 2.67Å; S67-R79 WeakPolarHBondContact OG-CB 3.48Å; R79-N175 VanDerWaalsContact CG-ND2 3.31Å; R79-N175 WeakPolarHBondContact CG-ND2 2.89Å; R79-F176 VanDerWaalsContact CA-O 3.3Å; R79-F176 WeakPolarHBondContact CA-O 3.29Å; R79-Y177 HydrophobicContact CB-CD2 3.64Å; R79-Y177 HydrophobicContact CB-CE2 4.09Å; R79-Y177 HydrophobicContact CG-CD2 3.89Å |
| 80 | T | 97.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -78.3 | 161.8 | 173.5 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | T66 Y78 F176 M227 L229 | T66-T80 HydrophobicContact CG2-CG2 4.41Å; Y78-T80 HydrophobicContact CD2-CG2 4.16Å; Y78-T80 HydrophobicContact CE2-CG2 4.03Å; T80-F176 HydrophobicContact CG2-CB 3.98Å; T80-F176 HydrophobicContact CG2-CD2 4.07Å; T80-F176 PolarHBondContact N-O 2.77Å; T80-F176 PolarHBondContact OG1-N 2.71Å; T80-M227 HydrophobicContact CG2-CG 4.18Å; T80-M227 HydrophobicContact CG2-SD 4.05Å; T80-L229 HydrophobicContact CG2-CD2 3.79Å |
| 81 | P | 97.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 154.2 | 174 | -17.2 | 34.7 | 0 | 0 | 0 | 110.1 | I61 D62 N64 Q251 | I61-P81 HydrophobicContact CG2-CB 3.85Å; D62-P81 HydrophobicContact CB-CB 4.09Å; D62-P81 VanDerWaalsContact O-CB 3.29Å; D62-P81 WeakPolarHBondContact O-CB 3.39Å; N64-P81 WeakPolarHBondContact O-CB 3.32Å; N64-P81 WeakPolarHBondContact O-CG 3.5Å; P81-Q251 HydrophobicContact CG-CG 4.43Å |
| 82 | H | 97.7 | Very high | 97.1 | Very high | 45 Ų | 45 | 36.8 Ų | 36.8 | 21% | 0.208 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 128.8 | 178.2 | -69 | -96 | 0 | 0 | 0 | 110.6 | I61 D62 R84 N173 D174 N175 | I61-H82 WeakPolarHBondContact CA-O 3.25Å; D62-H82 PolarHBondContact N-O 2.89Å; D62-H82 WeakPolarHBondContact OD2-CB 3.32Å; D62-H82 IonicContact OD2-CD2 2.65Å; H82-R84 HydrophobicContact CB-CG 4.33Å; H82-N173 PolarHBondContact ND1-OD1 3.28Å; H82-D174 CarbonylContact C-O 3.57Å; H82-D174 VanDerWaalsContact CA-O 3.28Å; H82-D174 WeakPolarHBondContact CA-O 3.29Å; H82-N175 PolarHBondContact CE1-ND2 2.88Å; H82-N175 VanDerWaalsContact CE1-ND2 3.34Å; H82-N175 PolarHBondContact CE1-OD1 2.86Å; H82-N175 PolarHBondContact NE2-ND2 2.92Å |
| 83 | F | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 138.4 | 152.4 | 168.2 | -107.8 | 0 | 0 | 0 | 108.6 | T59 S60 I61 A85 M172 N173 D174 I223 W225 P254 | T59-F83 WeakPolarHBondContact OG1-CE2 3.42Å; S60-F83 CarbonylContact O-C 3.59Å; S60-F83 WeakPolarHBondContact O-CA 3.43Å; I61-F83 HydrophobicContact CG1-CB 4.05Å; I61-F83 HydrophobicContact CG1-CD2 4.13Å; F83-A85 HydrophobicContact CE1-CB 4.21Å; F83-A85 HydrophobicContact CZ-CB 3.94Å; F83-M172 HydrophobicContact CD1-CE 4.27Å; F83-M172 HydrophobicContact CE1-CE 3.94Å; F83-M172 HydrophobicContact CE1-CG 4.47Å; F83-M172 HydrophobicContact CE1-SD 4.14Å; F83-N173 CarbonylContact O-C 3.57Å; F83-N173 WeakPolarHBondContact O-CA 3.34Å; F83-D174 HydrophobicContact CB-CB 4.48Å; F83-D174 HydrophobicContact CD1-CB 4.26Å; F83-D174 PolarHBondContact N-O 2.8Å; F83-D174 PolarHBondContact O-N 2.91Å; F83-I223 HydrophobicContact CE2-CG2 4.3Å; F83-I223 HydrophobicContact CZ-CG2 4.26Å; F83-W225 HydrophobicContact CB-CD2 4.11Å; F83-W225 HydrophobicContact CB-CE3 3.96Å; F83-W225 HydrophobicContact CB-CH2 4.05Å; F83-W225 HydrophobicContact CB-CZ2 4.19Å; F83-W225 HydrophobicContact CB-CZ3 3.92Å; F83-W225 HydrophobicContact CD1-CD2 4.16Å; F83-W225 AromaticContact CD1-CE2 3.65Å; F83-W225 HydrophobicContact CD1-CG 4.48Å; F83-W225 AromaticContact CD1-CZ2 3.91Å; F83-W225 HydrophobicContact CD1-CZ2 3.91Å; F83-W225 AromaticContact CD1-NE1 3.67Å; F83-W225 HydrophobicContact CD2-CB 4.09Å; F83-W225 AromaticContact CD2-CD2 3.86Å; F83-W225 HydrophobicContact CD2-CD2 3.86Å; F83-W225 HydrophobicContact CD2-CE3 4.33Å; F83-W225 AromaticContact CD2-CG 3.75Å; F83-W225 HydrophobicContact CD2-CG 3.75Å; F83-W225 AromaticContact CE1-CD1 3.88Å; F83-W225 HydrophobicContact CE1-CG 4.5Å; F83-W225 AromaticContact CE1-NE1 3.53Å; F83-W225 HydrophobicContact CE2-CB 4.03Å; F83-W225 AromaticContact CE2-CD1 3.66Å; F83-W225 HydrophobicContact CE2-CD2 4.29Å; F83-W225 AromaticContact CE2-CG 3.75Å; F83-W225 HydrophobicContact CE2-CG 3.75Å; F83-W225 AromaticContact CG-CD2 3.77Å; F83-W225 HydrophobicContact CG-CD2 3.77Å; F83-W225 AromaticContact CG-CE2 3.75Å; F83-W225 HydrophobicContact CG-CE3 4.13Å; F83-W225 HydrophobicContact CG-CG 4.12Å; F83-W225 HydrophobicContact CG-CH2 4.46Å; F83-W225 HydrophobicContact CG-CZ2 4.12Å; F83-W225 HydrophobicContact CG-CZ3 4.46Å; F83-W225 AromaticContact CZ-CD1 3.59Å; F83-W225 HydrophobicContact CZ-CG 4.15Å; F83-W225 AromaticContact CZ-NE1 3.77Å; F83-P254 HydrophobicContact CD2-CB 4.2Å; F83-P254 HydrophobicContact CD2-CG 4.2Å; F83-P254 HydrophobicContact CE2-CB 3.72Å; F83-P254 HydrophobicContact CE2-CG 3.96Å |
| 84 | R | 98.6 | Very high | 97 | Very high | 99 Ų | 99 | 34 Ų | 34 | 37% | 0.374 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 139.5 | 177.5 | -59.4 | -176.8 | -173.5 | -80.2 | -7.5 | 109.3 | T59 S60 D62 H82 M172 N173 | T59-R84 CarbonylContact C-O 3.34Å; T59-R84 WeakPolarHBondContact CA-O 3.35Å; T59-R84 PolarHBondContact OG1-O 3.26Å; S60-R84 PolarHBondContact N-O 3.38Å; S60-R84 PolarHBondContact O-N 3.35Å; D62-R84 WeakPolarHBondContact OD1-CD 3.24Å; D62-R84 IonicContact OD1-CZ 2.66Å; D62-R84 IonicContact OD1-NE 2.61Å; D62-R84 PolarHBondContact OD1-NE 3.42Å; D62-R84 IonicContact OD1-NH2 3.42Å; D62-R84 IonicContact OD2-CZ 3.65Å; D62-R84 IonicContact OD2-NE 3.28Å; D62-R84 PolarHBondContact OD2-NE 2.7Å; D62-R84 IonicContact OD2-NH2 3.82Å; D62-R84 PolarHBondContact OD2-NH2 2.71Å; H82-R84 HydrophobicContact CB-CG 4.33Å; R84-M172 WeakPolarHBondContact CA-O 3.4Å; R84-N173 HydrophobicContact CG-CB 4.45Å |
| 85 | A | 98.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 3% | 0.025 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 137.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S58 F83 W104 S171 M172 I223 | S58-A85 WeakPolarHBondContact O-CA 3.39Å; F83-A85 HydrophobicContact CE1-CB 4.21Å; F83-A85 HydrophobicContact CZ-CB 3.94Å; A85-W104 HydrophobicContact CB-CE3 4.5Å; A85-W104 HydrophobicContact CB-CH2 3.92Å; A85-W104 HydrophobicContact CB-CZ2 4.01Å; A85-W104 HydrophobicContact CB-CZ3 4.16Å; A85-S171 CarbonylContact O-C 3.58Å; A85-S171 WeakPolarHBondContact O-CA 3.44Å; A85-M172 HydrophobicContact CB-CG 3.89Å; A85-M172 PolarHBondContact N-O 3.09Å; A85-M172 VanDerWaalsContact N-O 3.08Å; A85-M172 PolarHBondContact O-N 2.9Å; A85-I223 HydrophobicContact CB-CD1 4.04Å |
| 86 | H | 98.8 | Very high | 96.7 | Very high | 57 Ų | 57 | 34.6 Ų | 34.6 | 26% | 0.264 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 139.1 | 179.1 | 176.6 | 83.2 | 0 | 0 | 0 | 110 | L57 S58 V170 | L57-H86 WeakPolarHBondContact CA-O 3.26Å; S58-H86 PolarHBondContact N-O 3.35Å; S58-H86 PolarHBondContact O-N 2.8Å; H86-V170 WeakPolarHBondContact CA-O 3.28Å |
| 87 | A | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 138.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E56 L57 W104 A169 V170 L207 | E56-A87 CarbonylContact O-C 3.58Å; E56-A87 VanDerWaalsContact O-CA 3.24Å; E56-A87 WeakPolarHBondContact O-CA 3.43Å; L57-A87 HydrophobicContact CD1-CB 4.19Å; A87-W104 HydrophobicContact CB-CH2 3.99Å; A87-W104 HydrophobicContact CB-CZ2 3.74Å; A87-A169 WeakPolarHBondContact O-CA 3.46Å; A87-V170 HydrophobicContact CB-CG2 4.14Å; A87-V170 PolarHBondContact N-O 3.45Å; A87-V170 PolarHBondContact O-N 2.81Å; A87-L207 HydrophobicContact CB-CD1 4.26Å; A87-L207 HydrophobicContact CB-CD2 3.53Å |
| 88 | R | 98.5 | Very high | 96.1 | Very high | 102 Ų | 102 | 43.6 Ų | 43.6 | 39% | 0.385 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 131.3 | 164.3 | -65.2 | -169.7 | -66.7 | 113.6 | -0.6 | 109.5 | L55 E56 F168 A169 | L55-R88 HydrophobicContact CB-CB 4.29Å; L55-R88 WeakPolarHBondContact CB-O 3.14Å; L55-R88 PolarHBondContact N-O 2.99Å; E56-R88 HydrophobicContact CB-CB 4.08Å; E56-R88 HydrophobicContact CB-CG 4.42Å; E56-R88 PolarHBondContact N-O 3.22Å; E56-R88 PolarHBondContact O-N 3.07Å; E56-R88 IonicContact OE2-CZ 2.8Å; E56-R88 IonicContact OE2-NE 3.93Å; E56-R88 PolarHBondContact OE2-NE 2.93Å; E56-R88 IonicContact OE2-NH2 3.75Å; E56-R88 PolarHBondContact OE2-NH2 3.28Å; R88-F168 CarbonylContact C-O 3.54Å; R88-F168 WeakPolarHBondContact CA-O 3.38Å; R88-A169 HydrophobicContact CG-CB 4.42Å |
| 89 | L | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144.7 | -172 | -63.8 | 166.8 | 0 | 0 | 0 | 109.9 | V52 I53 V54 V91 I102 K167 F168 V170 L207 L220 | V52-L89 HydrophobicContact CG1-CD2 4.36Å; I53-L89 CarbonylContact O-C 3.57Å; I53-L89 WeakPolarHBondContact O-CA 3.34Å; V54-L89 HydrophobicContact CB-CD2 4.41Å; V54-L89 HydrophobicContact CG2-CD2 3.86Å; L89-V91 HydrophobicContact CB-CG2 4.46Å; L89-I102 HydrophobicContact CD1-CB 4.26Å; L89-I102 HydrophobicContact CD1-CG2 3.46Å; L89-I102 VanDerWaalsContact CD1-CG2 3.46Å; L89-K167 VanDerWaalsContact O-CA 3.25Å; L89-K167 WeakPolarHBondContact O-CA 3.46Å; L89-F168 PolarHBondContact N-O 2.9Å; L89-F168 PolarHBondContact O-N 3.29Å; L89-V170 HydrophobicContact CD1-CG2 4.21Å; L89-L207 HydrophobicContact CD2-CD2 3.98Å; L89-L220 HydrophobicContact CD2-CD1 4.05Å |
| 90 | L | 97.4 | Very high | 96 | Very high | 30 Ų | 30 | 39.8 Ų | 39.8 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 112.5 | 162.6 | -169.8 | 71.3 | 0 | 0 | 0 | 107.4 | I53 L55 D165 K167 | I53-L90 HydrophobicContact CB-CB 4.23Å; I53-L90 HydrophobicContact CD1-CD2 4.37Å; I53-L90 PolarHBondContact N-O 2.97Å; I53-L90 PolarHBondContact O-N 3.37Å; L55-L90 HydrophobicContact CD1-CB 4.03Å; L55-L90 HydrophobicContact CD2-CB 4.07Å; L55-L90 HydrophobicContact CG-CB 3.99Å; L90-D165 HydrophobicContact CD1-CB 3.71Å; L90-D165 HydrophobicContact CD2-CB 4.41Å; L90-D165 HydrophobicContact CG-CB 3.99Å; L90-K167 HydrophobicContact CD1-CD 4.43Å; L90-K167 HydrophobicContact CD1-CG 3.56Å |
| 91 | V | 96.2 | Very high | 96 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 129.6 | -179.3 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | F48 L89 V94 I102 V158 D165 S166 F168 | F48-V91 HydrophobicContact CE2-CG1 3.86Å; F48-V91 HydrophobicContact CZ-CG1 3.94Å; L89-V91 HydrophobicContact CB-CG2 4.46Å; V91-V94 HydrophobicContact CG1-CG2 4.23Å; V91-I102 HydrophobicContact CG1-CD1 4.31Å; V91-I102 HydrophobicContact CG2-CD1 3.39Å; V91-V158 HydrophobicContact CG1-CG2 4.3Å; V91-D165 CarbonylContact O-C 3.54Å; V91-D165 VanDerWaalsContact O-CA 3.25Å; V91-D165 WeakPolarHBondContact O-CA 3.39Å; V91-S166 PolarHBondContact N-O 3.3Å; V91-S166 PolarHBondContact O-N 2.8Å; V91-F168 HydrophobicContact CB-CD2 4.18Å; V91-F168 HydrophobicContact CB-CE2 3.98Å; V91-F168 HydrophobicContact CG2-CD2 3.59Å; V91-F168 HydrophobicContact CG2-CE2 3.84Å |
| 92 | P | 94.3 | Very high | 96 | Very high | 18 Ų | 18 | 39.9 Ų | 39.9 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 172 | 179.2 | 34.5 | -41.7 | 0 | 0 | 0 | 111.4 | F48 V94 | F48-P92 HydrophobicContact CD2-CG 4.04Å; F48-P92 HydrophobicContact CE2-CG 4.1Å; P92-V94 PolarHBondContact O-N 3.26Å |
| 93 | P | 93.9 | Very high | 96 | Very high | 64 Ų | 64 | 37.8 Ų | 37.8 | 42% | 0.416 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -52.4 | 127.2 | 168 | -26.7 | 37.1 | 0 | 0 | 0 | 111.1 | T162 D165 | P93-T162 WeakPolarHBondContact CA-OG1 3.1Å; P93-T162 WeakPolarHBondContact CB-O 3.48Å; P93-D165 WeakPolarHBondContact CD-OD1 3.17Å |
| 94 | V | 92.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -96.4 | 135.7 | -179.9 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | F48 V91 P92 E98 V158 P161 T162 | F48-V94 HydrophobicContact CE2-CG2 3.96Å; V91-V94 HydrophobicContact CG1-CG2 4.23Å; P92-V94 PolarHBondContact O-N 3.26Å; V94-E98 HydrophobicContact CG1-CB 3.59Å; V94-V158 HydrophobicContact CB-CG1 4.46Å; V94-V158 HydrophobicContact CG2-CB 4.4Å; V94-V158 HydrophobicContact CG2-CG1 3.7Å; V94-P161 CarbonylContact O-C 3.55Å; V94-P161 VanDerWaalsContact O-CA 3.24Å; V94-P161 WeakPolarHBondContact O-CA 3.43Å; V94-T162 PolarHBondContact N-OG1 3.44Å; V94-T162 PolarHBondContact O-N 2.97Å |
| 95 | A | 91.4 | Very high | 96.1 | Very high | 51 Ų | 51 | 33 Ų | 33 | 42% | 0.421 | 18% | 0.178 | S | C | . | . | P | Polyproline II helix | trans | -68.7 | 161.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K97 E98 G160 | A95-K97 PolarHBondContact O-N 2.87Å; A95-E98 HydrophobicContact CB-CG 4.29Å; A95-E98 PolarHBondContact O-N 2.84Å; A95-G160 WeakPolarHBondContact O-CA 3.19Å |
| 96 | A | 91 | Very high | 96.1 | Very high | 65 Ų | 65 | 32.9 Ų | 32.9 | 54% | 0.537 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 138.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | E98 P161 | A96-E98 PolarHBondContact O-N 2.79Å; A96-P161 HydrophobicContact CB-CB 4.1Å; A96-P161 HydrophobicContact CB-CG 4.22Å |
| 97 | K | 89.5 | Confident | 96.1 | Very high | 197 Ų | 197 | 30.2 Ų | 30.2 | 86% | 0.857 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 9.1 | -179.5 | -48.1 | 177.3 | 179.1 | -179.9 | 0 | 115.3 | A95 | A95-K97 PolarHBondContact O-N 2.87Š|
| 98 | E | 93.4 | Very high | 96 | Very high | 66 Ų | 66 | 30.3 Ų | 30.3 | 31% | 0.308 | 17% | 0.165 | S | C | . | . | trans | -93 | 136.2 | 166.6 | -72.3 | -174.5 | -168.3 | 0 | 0 | 110.4 | V94 A95 A96 W100 G160 | V94-E98 HydrophobicContact CG1-CB 3.59Å; A95-E98 HydrophobicContact CB-CG 4.29Å; A95-E98 PolarHBondContact O-N 2.84Å; A96-E98 PolarHBondContact O-N 2.79Å; E98-W100 PolarHBondContact OE2-NE1 2.93Å; E98-G160 PolarHBondContact O-N 2.9Å | ||
| 99 | T | 96.3 | Very high | 96 | Very high | 28 Ų | 28 | 27.9 Ų | 27.9 | 17% | 0.172 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 125 | 170.5 | -57.4 | 0 | 0 | 0 | 0 | 108.5 | T157 V158 V159 Q212 | T99-T157 HydrophobicContact CG2-CG2 3.5Å; T99-V158 WeakPolarHBondContact CA-O 3.42Å; T99-V159 HydrophobicContact CG2-CG2 3.93Å; T99-Q212 HydrophobicContact CG2-CB 4.49Å; T99-Q212 VanDerWaalsContact CG2-CD 3.45Å; T99-Q212 HydrophobicContact CG2-CG 4.03Å; T99-Q212 PolarHBondContact O-N 2.9Å |
| 100 | W | 97.2 | Very high | 96 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.7 | 179.6 | -71.9 | 87.1 | 0 | 0 | 0 | 109.9 | F48 E98 T157 V158 A209 I210 N211 E216 V218 | F48-W100 HydrophobicContact CB-CH2 4.12Å; F48-W100 HydrophobicContact CB-CZ2 3.64Å; F48-W100 AromaticContact CD1-CD2 3.57Å; F48-W100 HydrophobicContact CD1-CD2 3.57Å; F48-W100 AromaticContact CD1-CE2 3.45Å; F48-W100 VanDerWaalsContact CD1-CE2 3.45Å; F48-W100 AromaticContact CD1-CE3 3.57Å; F48-W100 HydrophobicContact CD1-CE3 3.57Å; F48-W100 HydrophobicContact CD1-CG 4.39Å; F48-W100 AromaticContact CD1-CH2 3.37Å; F48-W100 HydrophobicContact CD1-CH2 3.37Å; F48-W100 AromaticContact CD1-CZ2 3.37Å; F48-W100 HydrophobicContact CD1-CZ2 3.37Å; F48-W100 AromaticContact CD1-CZ3 3.48Å; F48-W100 HydrophobicContact CD1-CZ3 3.48Å; F48-W100 VanDerWaalsContact CD1-CZ3 3.48Å; F48-W100 HydrophobicContact CD2-CD2 4.34Å; F48-W100 AromaticContact CD2-CE2 3.89Å; F48-W100 HydrophobicContact CD2-CZ2 4.26Å; F48-W100 AromaticContact CD2-NE1 3.81Å; F48-W100 HydrophobicContact CE1-CB 4.38Å; F48-W100 AromaticContact CE1-CD2 3.29Å; F48-W100 HydrophobicContact CE1-CD2 3.29Å; F48-W100 AromaticContact CE1-CE2 3.69Å; F48-W100 AromaticContact CE1-CE3 3.27Å; F48-W100 HydrophobicContact CE1-CE3 3.27Å; F48-W100 AromaticContact CE1-CG 3.82Å; F48-W100 HydrophobicContact CE1-CG 3.82Å; F48-W100 HydrophobicContact CE1-CH2 4.02Å; F48-W100 HydrophobicContact CE1-CZ2 4.05Å; F48-W100 AromaticContact CE1-CZ3 3.65Å; F48-W100 HydrophobicContact CE1-CZ3 3.65Å; F48-W100 AromaticContact CE2-CD1 3.89Å; F48-W100 HydrophobicContact CE2-CD2 4.13Å; F48-W100 AromaticContact CE2-CG 3.98Å; F48-W100 HydrophobicContact CE2-CG 3.98Å; F48-W100 AromaticContact CE2-NE1 3.97Å; F48-W100 HydrophobicContact CG-CD2 4.08Å; F48-W100 AromaticContact CG-CE2 3.55Å; F48-W100 HydrophobicContact CG-CE3 4.49Å; F48-W100 AromaticContact CG-CH2 3.95Å; F48-W100 HydrophobicContact CG-CH2 3.95Å; F48-W100 AromaticContact CG-CZ2 3.49Å; F48-W100 HydrophobicContact CG-CZ2 3.49Å; F48-W100 VanDerWaalsContact CG-CZ2 3.49Å; F48-W100 HydrophobicContact CG-CZ3 4.43Å; F48-W100 AromaticContact CG-NE1 3.94Å; F48-W100 HydrophobicContact CZ-CB 3.96Å; F48-W100 AromaticContact CZ-CD1 3.98Å; F48-W100 AromaticContact CZ-CD2 3.6Å; F48-W100 HydrophobicContact CZ-CD2 3.6Å; F48-W100 HydrophobicContact CZ-CE3 4.01Å; F48-W100 AromaticContact CZ-CG 3.58Å; F48-W100 HydrophobicContact CZ-CG 3.58Å; E98-W100 PolarHBondContact OE2-NE1 2.93Å; W100-T157 CarbonylContact O-C 3.52Å; W100-T157 WeakPolarHBondContact O-CA 3.46Å; W100-V158 PolarHBondContact N-O 2.88Å; W100-V158 PolarHBondContact O-N 2.84Å; W100-A209 HydrophobicContact CE3-CB 4.08Å; W100-A209 HydrophobicContact CZ3-CB 4.36Å; W100-I210 WeakPolarHBondContact CA-O 3.37Å; W100-I210 VanDerWaalsContact CE3-C 3.44Å; W100-N211 HydrophobicContact CD2-CB 3.95Å; W100-N211 HydrophobicContact CE3-CB 3.9Å; W100-N211 VanDerWaalsContact CE3-N 3.28Å; W100-N211 HydrophobicContact CH2-CB 3.74Å; W100-N211 HydrophobicContact CZ2-CB 3.77Å; W100-N211 WeakPolarHBondContact CZ2-ND2 3.34Å; W100-N211 HydrophobicContact CZ3-CB 3.8Å; W100-N211 PolarHBondContact NE1-ND2 2.92Å; W100-E216 HydrophobicContact CH2-CB 4.17Å; W100-E216 HydrophobicContact CH2-CG 4.06Å; W100-V218 HydrophobicContact CH2-CG2 4.49Å; W100-V218 HydrophobicContact CZ3-CG2 4.29Å |
| 101 | T | 97.8 | Very high | 96 | Very high | 8 Ų | 8 | 31.3 Ų | 31.3 | 5% | 0.049 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 130.9 | 167.1 | -61 | 0 | 0 | 0 | 0 | 108.7 | W148 T155 C156 T157 A209 I210 Q212 | T101-W148 HydrophobicContact CG2-CD2 4.35Å; T101-W148 HydrophobicContact CG2-CH2 3.91Å; T101-W148 HydrophobicContact CG2-CZ2 3.37Å; T101-W148 WeakPolarHBondContact O-CH2 3.38Å; T101-T155 HydrophobicContact CG2-CG2 4.31Å; T101-C156 CarbonylContact C-O 3.59Å; T101-C156 WeakPolarHBondContact CA-O 3.27Å; T101-T157 PolarHBondContact OG1-OG1 3.3Å; T101-T157 VanDerWaalsContact OG1-OG1 3.09Å; T101-A209 CarbonylContact O-C 3.53Å; T101-A209 WeakPolarHBondContact O-CA 3.5Å; T101-I210 PolarHBondContact N-O 3.12Å; T101-I210 PolarHBondContact O-N 2.84Å; T101-Q212 PolarHBondContact OG1-NE2 3.46Å |
| 102 | I | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 129.9 | -178.5 | -46.3 | 169.2 | 0 | 0 | 0 | 108.1 | L89 V91 T155 C156 V208 A209 L220 | L89-I102 HydrophobicContact CD1-CB 4.26Å; L89-I102 HydrophobicContact CD1-CG2 3.46Å; L89-I102 VanDerWaalsContact CD1-CG2 3.46Å; V91-I102 HydrophobicContact CG1-CD1 4.31Å; V91-I102 HydrophobicContact CG2-CD1 3.39Å; I102-T155 CarbonylContact O-C 3.55Å; I102-T155 VanDerWaalsContact O-CA 3.27Å; I102-T155 WeakPolarHBondContact O-CA 3.33Å; I102-C156 PolarHBondContact N-O 2.66Å; I102-C156 PolarHBondContact O-N 2.83Å; I102-V208 CarbonylContact C-O 3.56Å; I102-V208 WeakPolarHBondContact CA-O 3.3Å; I102-V208 WeakPolarHBondContact CG2-O 3.34Å; I102-A209 HydrophobicContact CB-CB 4.46Å; I102-A209 HydrophobicContact CG1-CB 3.82Å; I102-A209 HydrophobicContact CG2-CB 4.21Å; I102-L220 HydrophobicContact CG2-CD1 3.93Å |
| 103 | G | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.3 | -162.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E154 V208 | G103-E154 CarbonylContact C-O 3.57Å; G103-E154 WeakPolarHBondContact CA-O 3.25Å; G103-V208 PolarHBondContact N-O 3.08Å; G103-V208 PolarHBondContact O-N 3.13Å |
| 104 | W | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132 | -173.9 | -56.8 | 105.6 | 0 | 0 | 0 | 112.9 | L57 A85 A87 Y149 E154 V170 M172 T205 W206 L207 I223 | L57-W104 HydrophobicContact CD1-CH2 3.67Å; L57-W104 HydrophobicContact CD1-CZ3 4.48Å; A85-W104 HydrophobicContact CB-CE3 4.5Å; A85-W104 HydrophobicContact CB-CH2 3.92Å; A85-W104 HydrophobicContact CB-CZ2 4.01Å; A85-W104 HydrophobicContact CB-CZ3 4.16Å; A87-W104 HydrophobicContact CB-CH2 3.99Å; A87-W104 HydrophobicContact CB-CZ2 3.74Å; W104-Y149 PolarHBondContact O-N 2.85Å; W104-E154 VanDerWaalsContact CD1-O 3.31Å; W104-E154 PolarHBondContact N-O 2.99Å; W104-V170 HydrophobicContact CZ2-CG2 4.25Å; W104-M172 HydrophobicContact CB-CB 4.32Å; W104-M172 HydrophobicContact CB-CG 4.17Å; W104-M172 HydrophobicContact CB-SD 3.49Å; W104-M172 WeakPolarHBondContact CB-SD 3.46Å; W104-M172 HydrophobicContact CD2-CG 4.12Å; W104-M172 HydrophobicContact CD2-SD 4.02Å; W104-M172 HydrophobicContact CE3-SD 4.34Å; W104-M172 HydrophobicContact CG-CB 4.04Å; W104-M172 HydrophobicContact CG-CG 3.78Å; W104-M172 HydrophobicContact CG-SD 3.65Å; W104-T205 HydrophobicContact CE3-CG2 3.9Å; W104-W206 WeakPolarHBondContact CA-O 3.3Å; W104-L207 HydrophobicContact CD2-CD1 4.14Å; W104-L207 HydrophobicContact CE3-CB 3.98Å; W104-L207 HydrophobicContact CE3-CD1 4.13Å; W104-L207 HydrophobicContact CH2-CB 4.06Å; W104-L207 HydrophobicContact CH2-CD1 4.02Å; W104-L207 HydrophobicContact CH2-CD2 4.27Å; W104-L207 HydrophobicContact CH2-CG 4.34Å; W104-L207 HydrophobicContact CZ2-CD1 4.01Å; W104-L207 HydrophobicContact CZ3-CB 3.57Å; W104-L207 HydrophobicContact CZ3-CD1 4.09Å; W104-L207 HydrophobicContact CZ3-CG 4.28Å; W104-I223 HydrophobicContact CH2-CD1 4.26Å; W104-I223 HydrophobicContact CZ3-CD1 3.88Å |
| 105 | I | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 135.4 | 168 | -61.4 | 179.6 | 0 | 0 | 0 | 106.9 | P147 W148 T205 W206 V208 I210 I263 M268 | I105-P147 HydrophobicContact CD1-CB 3.88Å; I105-P147 HydrophobicContact CD1-CG 3.34Å; I105-P147 HydrophobicContact CG1-CB 4.24Å; I105-P147 HydrophobicContact CG1-CG 3.94Å; I105-P147 HydrophobicContact CG2-CB 4.33Å; I105-W148 HydrophobicContact CD1-CE3 4.45Å; I105-W148 HydrophobicContact CD1-CZ3 4.26Å; I105-W148 HydrophobicContact CG1-CE3 3.89Å; I105-W148 HydrophobicContact CG1-CZ3 4.03Å; I105-T205 CarbonylContact O-C 3.57Å; I105-T205 VanDerWaalsContact O-CA 3.32Å; I105-T205 WeakPolarHBondContact O-CA 3.48Å; I105-W206 HydrophobicContact CB-CE3 4.46Å; I105-W206 HydrophobicContact CG2-CE3 4.13Å; I105-W206 PolarHBondContact N-O 3.46Å; I105-W206 PolarHBondContact O-N 3.41Å; I105-V208 HydrophobicContact CB-CG2 4.41Å; I105-V208 HydrophobicContact CD1-CB 4.03Å; I105-V208 HydrophobicContact CD1-CG1 4.13Å; I105-V208 HydrophobicContact CD1-CG2 3.9Å; I105-V208 HydrophobicContact CG1-CB 4.45Å; I105-V208 HydrophobicContact CG1-CG2 4.2Å; I105-I210 HydrophobicContact CD1-CD1 4.13Å; I105-I263 HydrophobicContact CD1-CD1 4.04Å; I105-M268 HydrophobicContact CD1-CE 4.28Å; I105-M268 HydrophobicContact CD1-SD 3.85Å |
| 106 | Q | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 146.9 | 176.4 | -178.6 | 165.7 | -81.4 | 0 | 0 | 110.2 | D140 Y149 M172 D174 F203 T204 T205 | Q106-D140 HydrophobicContact CB-CB 4.19Å; Q106-D140 HydrophobicContact CG-CB 4.04Å; Q106-D140 PolarHBondContact NE2-OD2 2.79Å; Q106-D140 PolarHBondContact O-N 2.82Å; Q106-Y149 HydrophobicContact CB-CD2 3.93Å; Q106-M172 HydrophobicContact CB-CE 4.4Å; Q106-M172 VanDerWaalsContact OE1-CE 3.31Å; Q106-D174 PolarHBondContact NE2-OD2 2.92Å; Q106-F203 HydrophobicContact CG-CB 4.35Å; Q106-F203 HydrophobicContact CG-CD1 4.06Å; Q106-T204 WeakPolarHBondContact CA-O 3.34Å; Q106-T205 PolarHBondContact OE1-OG1 3.29Å |
| 107 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 144.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A137 I138 F203 T204 W206 A267 | A107-A137 HydrophobicContact CB-CB 3.78Å; A107-I138 CarbonylContact C-O 3.51Å; A107-I138 WeakPolarHBondContact CA-O 3.4Å; A107-I138 VanDerWaalsContact CB-O 3.22Å; A107-I138 WeakPolarHBondContact CB-O 3.38Å; A107-F203 VanDerWaalsContact O-CA 3.3Å; A107-F203 WeakPolarHBondContact O-CA 3.35Å; A107-T204 PolarHBondContact N-O 2.8Å; A107-T204 PolarHBondContact O-N 2.87Å; A107-W206 HydrophobicContact CB-CH2 4.03Å; A107-W206 HydrophobicContact CB-CZ3 3.73Å; A107-A267 HydrophobicContact CB-CB 3.61Å |
| 108 | C | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 123.5 | 171.6 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | H110 L127 A137 I138 F203 | C108-H110 PolarHBondContact SG-O 2.88Å; C108-L127 HydrophobicContact CB-CD1 4.47Å; C108-A137 CarbonylContact O-C 3.56Å; C108-A137 VanDerWaalsContact O-CA 3.23Å; C108-A137 WeakPolarHBondContact O-CA 3.42Å; C108-I138 HydrophobicContact CB-CG2 3.9Å; C108-I138 PolarHBondContact N-O 3.02Å; C108-I138 PolarHBondContact O-N 2.95Å; C108-F203 HydrophobicContact CB-CD1 4.03Å; C108-F203 HydrophobicContact CB-CE1 3.72Å |
| 109 | N | 97.7 | Very high | 97.6 | Very high | 51 Ų | 51 | 26.4 Ų | 26.4 | 27% | 0.273 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -24.7 | 179.9 | -59.5 | 103.1 | 0 | 0 | 0 | 112.9 | A137 S202 F203 T204 | N109-A137 WeakPolarHBondContact ND2-CB 3.49Å; N109-S202 PolarHBondContact N-O 2.77Å; N109-F203 VanDerWaalsContact OD1-C 3.28Å; N109-T204 WeakPolarHBondContact OD1-CB 3.22Å; N109-T204 PolarHBondContact OD1-N 3Å; N109-T204 PolarHBondContact OD1-OG1 2.84Å |
| 110 | H | 97.8 | Very high | 97.5 | Very high | 72 Ų | 72 | 31.2 Ų | 31.2 | 33% | 0.333 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 136.7 | -179.1 | 177 | 74.4 | 0 | 0 | 0 | 109.3 | C108 M112 Q201 S202 | C108-H110 PolarHBondContact SG-O 2.88Å; H110-M112 WeakPolarHBondContact NE2-CG 3.46Å; H110-Q201 VanDerWaalsContact O-CA 3.23Å; H110-Q201 WeakPolarHBondContact O-CA 3.39Å; H110-S202 PolarHBondContact N-O 2.86Å; H110-S202 PolarHBondContact O-N 2.91Å |
| 111 | M | 97.3 | Very high | 97.5 | Very high | 31 Ų | 31 | 31.7 Ų | 31.7 | 15% | 0.153 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 121 | 176.3 | 173.9 | 162.8 | 176.9 | 0 | 0 | 112.8 | F113 W125 L127 Q201 | M111-F113 HydrophobicContact CE-CB 4.12Å; M111-F113 HydrophobicContact CE-CD1 4.4Å; M111-W125 HydrophobicContact CE-CB 3.43Å; M111-W125 VanDerWaalsContact CE-CB 3.43Å; M111-L127 HydrophobicContact CB-CD1 4.03Å; M111-L127 HydrophobicContact CG-CD1 4.43Å; M111-L127 HydrophobicContact SD-CD1 3.58Å; M111-L127 VanDerWaalsContact SD-CD1 3.58Å; M111-L127 HydrophobicContact SD-CG 3.79Å; M111-Q201 HydrophobicContact CB-CG 4.26Å; M111-Q201 HydrophobicContact CG-CG 4.14Å; M111-Q201 VanDerWaalsContact CG-NE2 3.35Å; M111-Q201 PolarHBondContact SD-NE2 2.98Å |
| 112 | M | 97.4 | Very high | 97.5 | Very high | 64 Ų | 64 | 34.1 Ų | 34.1 | 32% | 0.315 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 128.3 | 159.7 | -64 | 171.7 | 66.9 | 0 | 0 | 108.1 | H110 Y114 R199 D200 | H110-M112 WeakPolarHBondContact NE2-CG 3.46Å; M112-Y114 HydrophobicContact CB-CE2 4.41Å; M112-Y114 HydrophobicContact CE-CD2 4.22Å; M112-Y114 HydrophobicContact CE-CE2 3.41Å; M112-Y114 VanDerWaalsContact CE-CE2 3.41Å; M112-R199 CarbonylContact O-C 3.54Å; M112-R199 VanDerWaalsContact O-CA 3.31Å; M112-R199 WeakPolarHBondContact O-CA 3.31Å; M112-R199 WeakPolarHBondContact O-CG 3.47Å; M112-D200 HydrophobicContact CB-CB 4.14Å; M112-D200 PolarHBondContact N-O 2.89Å; M112-D200 PolarHBondContact O-N 2.89Å |
| 113 | F | 97.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 34.1 Ų | 34.1 | 4% | 0.044 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 101.3 | 172.2 | -177 | -173.1 | 0 | 0 | 0 | 108.7 | Y78 M111 N115 S124 W125 P178 V180 I197 Q198 R199 | Y78-F113 WeakPolarHBondContact OH-CZ 3.2Å; M111-F113 HydrophobicContact CE-CB 4.12Å; M111-F113 HydrophobicContact CE-CD1 4.4Å; F113-N115 WeakPolarHBondContact CE2-OD1 3.4Å; F113-S124 CarbonylContact O-C 3.49Å; F113-S124 WeakPolarHBondContact O-CA 3.49Å; F113-W125 HydrophobicContact CB-CB 4.15Å; F113-W125 HydrophobicContact CD1-CB 3.75Å; F113-W125 AromaticContact CD1-CD1 3.45Å; F113-W125 VanDerWaalsContact CD1-CD1 3.45Å; F113-W125 AromaticContact CD1-CG 3.88Å; F113-W125 HydrophobicContact CD1-CG 3.88Å; F113-W125 AromaticContact CE1-CD1 3.38Å; F113-W125 HydrophobicContact CE1-CG 4.17Å; F113-W125 HydrophobicContact CG-CB 4.23Å; F113-W125 PolarHBondContact O-N 2.85Å; F113-P178 HydrophobicContact CE1-CB 4.38Å; F113-P178 HydrophobicContact CZ-CB 4.29Å; F113-P178 HydrophobicContact CZ-CG 4.21Å; F113-V180 HydrophobicContact CE2-CG2 4.42Å; F113-V180 HydrophobicContact CZ-CG2 4.12Å; F113-I197 HydrophobicContact CD2-CG2 4.39Å; F113-I197 HydrophobicContact CE2-CG2 3.82Å; F113-Q198 CarbonylContact C-O 3.55Å; F113-Q198 WeakPolarHBondContact CA-O 3.39Å; F113-R199 HydrophobicContact CB-CG 4.21Å; F113-R199 HydrophobicContact CD2-CB 4.37Å; F113-R199 HydrophobicContact CD2-CG 4.4Å; F113-R199 HydrophobicContact CG-CG 4.27Å |
| 114 | Y | 98.2 | Very high | 97.5 | Very high | 68 Ų | 68 | 34.1 Ų | 34.1 | 27% | 0.267 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 138.5 | -173.5 | -58.1 | -30.9 | 0 | 0 | 0 | 111.5 | M112 M122 S123 S124 I197 Q198 | M112-Y114 HydrophobicContact CB-CE2 4.41Å; M112-Y114 HydrophobicContact CE-CD2 4.22Å; M112-Y114 HydrophobicContact CE-CE2 3.41Å; M112-Y114 VanDerWaalsContact CE-CE2 3.41Å; Y114-M122 HydrophobicContact CD1-SD 3.96Å; Y114-M122 HydrophobicContact CD2-SD 4.17Å; Y114-M122 HydrophobicContact CG-SD 3.72Å; Y114-S123 WeakPolarHBondContact CA-O 3.32Å; Y114-S124 VanDerWaalsContact CD1-CB 3.41Å; Y114-I197 CarbonylContact O-C 3.47Å; Y114-I197 WeakPolarHBondContact O-CA 3.46Å; Y114-Q198 PolarHBondContact N-O 2.89Å; Y114-Q198 PolarHBondContact O-N 3.29Å |
| 115 | N | 98.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120 | 170.9 | -44.2 | -64.1 | 0 | 0 | 0 | 108 | F113 Y117 M122 S123 V180 L194 S196 | F113-N115 WeakPolarHBondContact CE2-OD1 3.4Å; N115-Y117 HydrophobicContact CB-CE2 3.81Å; N115-Y117 WeakPolarHBondContact O-CD2 3.3Å; N115-Y117 WeakPolarHBondContact O-CE2 3.48Å; N115-M122 CarbonylContact O-C 3.47Å; N115-M122 WeakPolarHBondContact O-CA 3.41Å; N115-S123 WeakPolarHBondContact CB-OG 3.41Å; N115-S123 PolarHBondContact N-O 3.39Å; N115-S123 PolarHBondContact ND2-OG 2.86Å; N115-S123 PolarHBondContact O-N 2.91Å; N115-V180 HydrophobicContact CB-CG1 4.03Å; N115-L194 HydrophobicContact CB-CD1 3.88Å; N115-S196 CarbonylContact C-O 3.57Å; N115-S196 WeakPolarHBondContact CA-O 3.34Å |
| 116 | T | 98.5 | Very high | 97.4 | Very high | 45 Ų | 45 | 37.3 Ų | 37.3 | 28% | 0.276 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 136.9 | -179.6 | -56.4 | 0 | 0 | 0 | 0 | 109.9 | L194 S195 S196 | T116-L194 WeakPolarHBondContact O-CA 3.4Å; T116-S195 PolarHBondContact O-N 3.01Å; T116-S195 PolarHBondContact O-OG 3.3Å; T116-S196 PolarHBondContact N-O 3.3Å; T116-S196 PolarHBondContact O-N 3.11Å |
| 117 | Y | 97.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | trans | -117.2 | 66 | -178.1 | -62.7 | -95.1 | 0 | 0 | 0 | 110.9 | N115 N119 K120 G121 T181 G183 V184 L193 L194 W281 | N115-Y117 HydrophobicContact CB-CE2 3.81Å; N115-Y117 WeakPolarHBondContact O-CD2 3.3Å; N115-Y117 WeakPolarHBondContact O-CE2 3.48Å; Y117-N119 PolarHBondContact O-N 2.9Å; Y117-K120 WeakPolarHBondContact O-CB 3.26Å; Y117-K120 PolarHBondContact O-N 3.05Å; Y117-G121 PolarHBondContact N-O 3.36Å; Y117-T181 WeakPolarHBondContact CE1-O 3.49Å; Y117-T181 PolarHBondContact OH-O 2.96Å; Y117-T181 PolarHBondContact OH-OG1 3.1Å; Y117-G183 VanDerWaalsContact CE1-C 3.5Å; Y117-G183 WeakPolarHBondContact CE1-O 3.26Å; Y117-V184 HydrophobicContact CD1-CG2 4.26Å; Y117-V184 HydrophobicContact CG-CG2 4.14Å; Y117-L193 CarbonylContact C-O 3.54Å; Y117-L193 WeakPolarHBondContact CA-O 3.49Å; Y117-L193 HydrophobicContact CD1-CB 4.34Å; Y117-L194 HydrophobicContact CD1-CB 4.18Å; Y117-L194 HydrophobicContact CE1-CB 4.07Å; Y117-L194 HydrophobicContact CE1-CD1 4.08Å; Y117-W281 HydrophobicContact CD2-CH2 4.15Å; Y117-W281 AromaticContact CD2-CZ3 3.53Å; Y117-W281 HydrophobicContact CD2-CZ3 3.53Å; Y117-W281 AromaticContact CE2-CZ3 3.99Å; Y117-W281 HydrophobicContact CE2-CZ3 3.99Å; Y117-W281 HydrophobicContact CG-CH2 4.44Å; Y117-W281 HydrophobicContact CG-CZ3 4.21Å | ||
| 118 | G | 94.4 | Very high | 97.2 | Very high | 40 Ų | 40 | 39.2 Ų | 39.2 | 41% | 0.412 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | -125.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L193 S195 | G118-L193 PolarHBondContact N-O 2.8Å; G118-L193 VanDerWaalsContact N-O 3.15Å; G118-S195 PolarHBondContact N-OG 2.95Å |
| 119 | N | 93.4 | Very high | 97.1 | Very high | 128 Ų | 128 | 41.6 Ų | 41.6 | 68% | 0.684 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 3 | 179 | -82 | -48.2 | 0 | 0 | 0 | 114.7 | Y117 K284 | Y117-N119 PolarHBondContact O-N 2.9Å; N119-K284 WeakPolarHBondContact O-CD 3.2Å; N119-K284 PolarHBondContact OD1-NZ 3.17Å |
| 120 | K | 95.5 | Very high | 97.1 | Very high | 129 Ų | 129 | 40.1 Ų | 40.1 | 56% | 0.561 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -83.1 | -34.1 | -177.4 | -64.1 | -59.7 | -173 | 173.6 | 0 | 113.1 | Y117 V184 L193 W281 P283 K284 | Y117-K120 WeakPolarHBondContact O-CB 3.26Å; Y117-K120 PolarHBondContact O-N 3.05Å; K120-V184 HydrophobicContact CB-CG2 4.04Å; K120-V184 HydrophobicContact CG-CG2 4.34Å; K120-L193 HydrophobicContact CG-CD1 3.9Å; K120-W281 HydrophobicContact CB-CH2 4.31Å; K120-W281 HydrophobicContact CB-CZ2 4.48Å; K120-P283 WeakPolarHBondContact O-CA 3.42Å; K120-K284 PolarHBondContact O-N 3.08Å |
| 121 | G | 96.9 | Very high | 97 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 13% | 0.134 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.8 | -159.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y117 R282 | Y117-G121 PolarHBondContact N-O 3.36Å; G121-R282 VanDerWaalsContact CA-O 3.28Å; G121-R282 WeakPolarHBondContact CA-O 3.43Å |
| 122 | M | 97.9 | Very high | 96.9 | Very high | 58 Ų | 58 | 45.5 Ų | 45.5 | 29% | 0.286 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.4 | -175.1 | 158.4 | 172.8 | 55 | 0 | 0 | 110.5 | Y114 N115 W281 R282 | Y114-M122 HydrophobicContact CD1-SD 3.96Å; Y114-M122 HydrophobicContact CD2-SD 4.17Å; Y114-M122 HydrophobicContact CG-SD 3.72Å; N115-M122 CarbonylContact O-C 3.47Å; N115-M122 WeakPolarHBondContact O-CA 3.41Å; M122-W281 VanDerWaalsContact O-CE3 3.28Å; M122-R282 PolarHBondContact N-O 3.33Å; M122-R282 PolarHBondContact O-N 2.87Å |
| 123 | S | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 153.8 | 161.4 | 76 | 0 | 0 | 0 | 0 | 110.8 | Y114 N115 M280 | Y114-S123 WeakPolarHBondContact CA-O 3.32Å; N115-S123 WeakPolarHBondContact CB-OG 3.41Å; N115-S123 PolarHBondContact N-O 3.39Å; N115-S123 PolarHBondContact ND2-OG 2.86Å; N115-S123 PolarHBondContact O-N 2.91Å; S123-M280 CarbonylContact C-O 3.43Å; S123-M280 WeakPolarHBondContact CA-O 3.42Å; S123-M280 WeakPolarHBondContact CB-O 3.34Å |
| 124 | S | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 133.5 | 178.9 | 57.7 | 0 | 0 | 0 | 0 | 112.1 | F113 Y114 E126 M280 R282 | F113-S124 CarbonylContact O-C 3.49Å; F113-S124 WeakPolarHBondContact O-CA 3.49Å; Y114-S124 VanDerWaalsContact CD1-CB 3.41Å; S124-E126 PolarHBondContact OG-OE1 2.92Å; S124-M280 PolarHBondContact N-O 3.46Å; S124-M280 PolarHBondContact O-N 3.5Å; S124-R282 PolarHBondContact OG-NH1 2.83Å |
| 125 | W | 97.8 | Very high | 96.8 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 20% | 0.197 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 130.1 | 163.9 | -73.5 | 100.2 | 0 | 0 | 0 | 108.7 | M111 F113 Q277 V278 L279 I292 | M111-W125 HydrophobicContact CE-CB 3.43Å; M111-W125 VanDerWaalsContact CE-CB 3.43Å; F113-W125 HydrophobicContact CB-CB 4.15Å; F113-W125 HydrophobicContact CD1-CB 3.75Å; F113-W125 AromaticContact CD1-CD1 3.45Å; F113-W125 VanDerWaalsContact CD1-CD1 3.45Å; F113-W125 AromaticContact CD1-CG 3.88Å; F113-W125 HydrophobicContact CD1-CG 3.88Å; F113-W125 AromaticContact CE1-CD1 3.38Å; F113-W125 HydrophobicContact CE1-CG 4.17Å; F113-W125 HydrophobicContact CG-CB 4.23Å; F113-W125 PolarHBondContact O-N 2.85Å; W125-Q277 HydrophobicContact CE3-CB 4.04Å; W125-Q277 HydrophobicContact CE3-CG 3.74Å; W125-Q277 HydrophobicContact CZ3-CB 4.47Å; W125-Q277 HydrophobicContact CZ3-CG 3.77Å; W125-V278 CarbonylContact C-O 3.52Å; W125-V278 WeakPolarHBondContact CA-O 3.4Å; W125-L279 HydrophobicContact CD2-CB 4.18Å; W125-L279 HydrophobicContact CD2-CD1 4.09Å; W125-L279 HydrophobicContact CE3-CB 4.01Å; W125-L279 HydrophobicContact CG-CD1 4.21Å; W125-L279 HydrophobicContact CH2-CB 3.92Å; W125-L279 HydrophobicContact CZ2-CB 4.07Å; W125-L279 HydrophobicContact CZ2-CD1 4.42Å; W125-L279 HydrophobicContact CZ2-CD2 4.27Å; W125-L279 HydrophobicContact CZ2-CG 4.48Å; W125-L279 HydrophobicContact CZ3-CB 3.87Å; W125-I292 HydrophobicContact CH2-CB 4.31Å; W125-I292 HydrophobicContact CH2-CD1 3.69Å; W125-I292 HydrophobicContact CH2-CG2 4.32Å; W125-I292 HydrophobicContact CZ2-CD1 4.05Å |
| 126 | E | 97.3 | Very high | 96.7 | Very high | 14 Ų | 14 | 56.7 Ų | 56.7 | 7% | 0.065 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 150.7 | -173.8 | -60.3 | -175.2 | -176.1 | 0 | 0 | 111.6 | S124 P128 R131 Q277 V278 M280 R282 | S124-E126 PolarHBondContact OG-OE1 2.92Å; E126-P128 WeakPolarHBondContact O-CD 3.22Å; E126-R131 IonicContact OE2-CZ 3.56Å; E126-R131 IonicContact OE2-NH1 2.7Å; E126-R131 PolarHBondContact OE2-NH1 2.92Å; E126-Q277 CarbonylContact O-C 3.59Å; E126-Q277 WeakPolarHBondContact O-CA 3.48Å; E126-V278 HydrophobicContact CB-CG2 3.94Å; E126-V278 PolarHBondContact N-O 2.82Å; E126-V278 PolarHBondContact O-N 2.76Å; E126-M280 HydrophobicContact CG-CG 4.4Å; E126-R282 VanDerWaalsContact CD-NH2 3.35Å; E126-R282 IonicContact OE1-CZ 3.46Å; E126-R282 IonicContact OE1-NH1 3.79Å; E126-R282 PolarHBondContact OE1-NH1 3.26Å; E126-R282 IonicContact OE1-NH2 3.74Å; E126-R282 PolarHBondContact OE1-NH2 3.23Å; E126-R282 IonicContact OE2-NH2 2.8Å; E126-R282 PolarHBondContact OE2-NH2 3.43Å |
| 127 | L | 97.6 | Very high | 96.6 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | trans | -111.8 | 92.8 | 168.2 | -69.2 | 166 | 0 | 0 | 0 | 106.9 | C108 M111 D129 L130 R131 I138 A273 A276 Q277 | C108-L127 HydrophobicContact CB-CD1 4.47Å; M111-L127 HydrophobicContact CB-CD1 4.03Å; M111-L127 HydrophobicContact CG-CD1 4.43Å; M111-L127 HydrophobicContact SD-CD1 3.58Å; M111-L127 VanDerWaalsContact SD-CD1 3.58Å; M111-L127 HydrophobicContact SD-CG 3.79Å; L127-D129 PolarHBondContact O-N 2.95Å; L127-L130 HydrophobicContact CB-CB 3.8Å; L127-L130 HydrophobicContact CB-CD2 4.28Å; L127-L130 HydrophobicContact CD1-CD2 3.75Å; L127-L130 PolarHBondContact O-N 3.04Å; L127-L130 VanDerWaalsContact O-N 3.1Å; L127-R131 WeakPolarHBondContact O-CB 3.03Å; L127-R131 PolarHBondContact O-N 2.84Å; L127-I138 HydrophobicContact CD1-CG2 3.66Å; L127-I138 HydrophobicContact CD2-CD1 4.07Å; L127-I138 HydrophobicContact CD2-CG2 4.29Å; L127-A273 HydrophobicContact CD2-CB 4.43Å; L127-A276 HydrophobicContact CD2-CB 4.01Å; L127-Q277 HydrophobicContact CD2-CB 4.04Å | ||
| 128 | P | 95.8 | Very high | 96.6 | Very high | 34 Ų | 34 | 54.9 Ų | 54.9 | 22% | 0.221 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.6 | -45.4 | -166.9 | -29 | 36.4 | 0 | 0 | 0 | 113.9 | E126 L130 R131 D132 V278 | E126-P128 WeakPolarHBondContact O-CD 3.22Å; P128-L130 VanDerWaalsContact C-N 3.31Å; P128-L130 PolarHBondContact O-N 2.79Å; P128-R131 PolarHBondContact O-N 2.89Å; P128-D132 VanDerWaalsContact O-CB 3.28Å; P128-D132 WeakPolarHBondContact O-CB 3.27Å; P128-D132 PolarHBondContact O-N 2.81Å; P128-V278 HydrophobicContact CG-CG1 4.15Å; P128-V278 HydrophobicContact CG-CG2 3.77Å |
| 129 | D | 96.2 | Very high | 96.8 | Very high | 52 Ų | 52 | 53 Ų | 53 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.4 | -30.8 | -179.3 | -72.1 | -17.1 | 0 | 0 | 0 | 113 | L127 G133 K134 I135 | L127-D129 PolarHBondContact O-N 2.95Å; D129-G133 PolarHBondContact O-N 2.7Å; D129-K134 HydrophobicContact CB-CB 4.25Å; D129-K134 PolarHBondContact O-N 3.16Å; D129-K134 WeakPolarHBondContact OD1-CD 3.38Å; D129-K134 IonicContact OD1-NZ 3.08Å; D129-K134 PolarHBondContact OD1-NZ 2.91Å; D129-I135 HydrophobicContact CB-CD1 4.04Å; D129-I135 HydrophobicContact CB-CG1 4.09Å; D129-I135 HydrophobicContact CB-CG2 4.43Å; D129-I135 PolarHBondContact O-N 2.78Å |
| 130 | L | 97.2 | Very high | 97 | Very high | 20 Ų | 20 | 47.7 Ų | 47.7 | 11% | 0.105 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.8 | -45.3 | 173.5 | -174.3 | 67.9 | 0 | 0 | 0 | 110.7 | L127 P128 D132 G133 I135 | L127-L130 HydrophobicContact CB-CB 3.8Å; L127-L130 HydrophobicContact CB-CD2 4.28Å; L127-L130 HydrophobicContact CD1-CD2 3.75Å; L127-L130 PolarHBondContact O-N 3.04Å; L127-L130 VanDerWaalsContact O-N 3.1Å; P128-L130 VanDerWaalsContact C-N 3.31Å; P128-L130 PolarHBondContact O-N 2.79Å; L130-D132 VanDerWaalsContact C-N 3.33Å; L130-D132 PolarHBondContact O-N 2.61Å; L130-G133 PolarHBondContact O-N 2.84Å; L130-I135 HydrophobicContact CB-CD1 4.39Å; L130-I135 HydrophobicContact CB-CG1 4.17Å; L130-I135 HydrophobicContact CD1-CG1 4.24Å |
| 131 | R | 95.9 | Very high | 97.1 | Very high | 134 Ų | 134 | 41.8 Ų | 41.8 | 51% | 0.506 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.6 | -43 | 177.4 | -178.6 | -160.2 | 69 | -160 | -3.2 | 111.6 | E126 L127 P128 G133 | E126-R131 IonicContact OE2-CZ 3.56Å; E126-R131 IonicContact OE2-NH1 2.7Å; E126-R131 PolarHBondContact OE2-NH1 2.92Å; L127-R131 WeakPolarHBondContact O-CB 3.03Å; L127-R131 PolarHBondContact O-N 2.84Å; P128-R131 PolarHBondContact O-N 2.89Å; R131-G133 PolarHBondContact O-N 3.11Å |
| 132 | D | 96.1 | Very high | 96.8 | Very high | 82 Ų | 82 | 43.8 Ų | 43.8 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 1 | -177.8 | -62 | -12.5 | 0 | 0 | 0 | 112.4 | P128 L130 K134 | P128-D132 VanDerWaalsContact O-CB 3.28Å; P128-D132 WeakPolarHBondContact O-CB 3.27Å; P128-D132 PolarHBondContact O-N 2.81Å; L130-D132 VanDerWaalsContact C-N 3.33Å; L130-D132 PolarHBondContact O-N 2.61Å; D132-K134 HydrophobicContact CB-CG 4.22Å; D132-K134 PolarHBondContact O-N 3.08Å |
| 133 | G | 95.9 | Very high | 96.6 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 63% | 0.629 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 16 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D129 L130 R131 I135 | D129-G133 PolarHBondContact O-N 2.7Å; L130-G133 PolarHBondContact O-N 2.84Å; R131-G133 PolarHBondContact O-N 3.11Å; G133-I135 VanDerWaalsContact C-N 3.28Å |
| 134 | K | 97 | Very high | 96.3 | Very high | 140 Ų | 140 | 47.2 Ų | 47.2 | 61% | 0.609 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -70.8 | -29.7 | 175.7 | -57.2 | -173.4 | -154.6 | 150.3 | 0 | 111.7 | D129 D132 | D129-K134 HydrophobicContact CB-CB 4.25Å; D129-K134 PolarHBondContact O-N 3.16Å; D129-K134 WeakPolarHBondContact OD1-CD 3.38Å; D129-K134 IonicContact OD1-NZ 3.08Å; D129-K134 PolarHBondContact OD1-NZ 2.91Å; D132-K134 HydrophobicContact CB-CG 4.22Å; D132-K134 PolarHBondContact O-N 3.08Å |
| 135 | I | 97.1 | Very high | 96 | Very high | 21 Ų | 21 | 50.1 Ų | 50.1 | 11% | 0.108 | 27% | 0.267 | C | S | . | . | trans | -127 | 149.9 | 174 | 66.7 | 179.4 | 0 | 0 | 0 | 109.6 | D129 L130 G133 I138 N266 | D129-I135 HydrophobicContact CB-CD1 4.04Å; D129-I135 HydrophobicContact CB-CG1 4.09Å; D129-I135 HydrophobicContact CB-CG2 4.43Å; D129-I135 PolarHBondContact O-N 2.78Å; L130-I135 HydrophobicContact CB-CD1 4.39Å; L130-I135 HydrophobicContact CB-CG1 4.17Å; L130-I135 HydrophobicContact CD1-CG1 4.24Å; G133-I135 VanDerWaalsContact C-N 3.28Å; I135-I138 HydrophobicContact CD1-CB 3.92Å; I135-I138 HydrophobicContact CD1-CD1 4.36Å; I135-I138 HydrophobicContact CD1-CG1 4.36Å; I135-N266 HydrophobicContact CB-CB 4.32Å; I135-N266 HydrophobicContact CG2-CB 4.3Å; I135-N266 VanDerWaalsContact CG2-ND2 3.34Å; I135-N266 WeakPolarHBondContact CG2-ND2 3.29Å | ||
| 136 | Q | 96.1 | Very high | 95.9 | Very high | 157 Ų | 157 | 49.8 Ų | 49.8 | 73% | 0.734 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -87.1 | -22.8 | 178.8 | -64.6 | 179.3 | -4 | 0 | 0 | 113.2 | ||
| 137 | A | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -158.6 | 154.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | A107 C108 N109 P264 N266 | A107-A137 HydrophobicContact CB-CB 3.78Å; C108-A137 CarbonylContact O-C 3.56Å; C108-A137 VanDerWaalsContact O-CA 3.23Å; C108-A137 WeakPolarHBondContact O-CA 3.42Å; N109-A137 WeakPolarHBondContact ND2-CB 3.49Å; A137-P264 HydrophobicContact CB-CB 4.37Å; A137-P264 HydrophobicContact CB-CG 4.03Å; A137-N266 VanDerWaalsContact O-CB 3.26Å; A137-N266 WeakPolarHBondContact O-CB 3.41Å | ||
| 138 | I | 97.9 | Very high | 95.9 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 5% | 0.046 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 141 | 170.4 | -168.1 | 162.1 | 0 | 0 | 0 | 110.5 | A107 C108 L127 I135 D140 P271 A273 A276 | A107-I138 CarbonylContact C-O 3.51Å; A107-I138 WeakPolarHBondContact CA-O 3.4Å; A107-I138 VanDerWaalsContact CB-O 3.22Å; A107-I138 WeakPolarHBondContact CB-O 3.38Å; C108-I138 HydrophobicContact CB-CG2 3.9Å; C108-I138 PolarHBondContact N-O 3.02Å; C108-I138 PolarHBondContact O-N 2.95Å; L127-I138 HydrophobicContact CD1-CG2 3.66Å; L127-I138 HydrophobicContact CD2-CD1 4.07Å; L127-I138 HydrophobicContact CD2-CG2 4.29Å; I135-I138 HydrophobicContact CD1-CB 3.92Å; I135-I138 HydrophobicContact CD1-CD1 4.36Å; I135-I138 HydrophobicContact CD1-CG1 4.36Å; I138-D140 PolarHBondContact O-N 2.9Å; I138-P271 HydrophobicContact CD1-CG 4.39Å; I138-A273 HydrophobicContact CG2-CB 3.93Å; I138-A276 HydrophobicContact CD1-CB 3.23Å |
| 139 | S | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 137.4 | 177.7 | -169.3 | 0 | 0 | 0 | 0 | 111.3 | S141 N266 A267 N272 A273 | S139-S141 WeakPolarHBondContact OG-CB 3.5Å; S139-S141 PolarHBondContact OG-N 2.83Å; S139-N266 PolarHBondContact N-O 2.79Å; S139-A267 VanDerWaalsContact CB-O 3.32Å; S139-A267 WeakPolarHBondContact CB-O 3.33Å; S139-A267 PolarHBondContact OG-O 3.22Å; S139-N272 CarbonylContact O-C 3.57Å; S139-N272 WeakPolarHBondContact O-CA 3.35Å; S139-A273 PolarHBondContact O-N 3.04Å |
| 140 | D | 97.5 | Very high | 96 | Very high | 18 Ų | 18 | 49 Ų | 49 | 10% | 0.096 | 26% | 0.259 | C | S | . | . | trans | -111.5 | 36.3 | 172.1 | -160.6 | 35.1 | 0 | 0 | 0 | 110.9 | Q106 I138 Y149 | Q106-D140 HydrophobicContact CB-CB 4.19Å; Q106-D140 HydrophobicContact CG-CB 4.04Å; Q106-D140 PolarHBondContact NE2-OD2 2.79Å; Q106-D140 PolarHBondContact O-N 2.82Å; I138-D140 PolarHBondContact O-N 2.9Å; D140-Y149 VanDerWaalsContact O-CD2 3.25Å; D140-Y149 WeakPolarHBondContact O-CD2 3.23Å | ||
| 141 | S | 96.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.028 | 28% | 0.277 | C | S | . | . | trans | -67.9 | 158.6 | 179.2 | 174 | 0 | 0 | 0 | 0 | 112.6 | S139 G143 W148 N272 | S139-S141 WeakPolarHBondContact OG-CB 3.5Å; S139-S141 PolarHBondContact OG-N 2.83Å; S141-G143 PolarHBondContact O-N 2.89Å; S141-W148 WeakPolarHBondContact CA-O 3.5Å; S141-W148 WeakPolarHBondContact CB-O 3.21Å; S141-W148 PolarHBondContact OG-O 3.42Å; S141-N272 PolarHBondContact O-ND2 3.08Å | ||
| 142 | D | 91.8 | Very high | 95.6 | Very high | 56 Ų | 56 | 50.8 Ų | 50.8 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | trans | -54.1 | -12.3 | 171.3 | 71.4 | -2.7 | 0 | 0 | 0 | 114.7 | V144 N145 W148 Y149 | D142-V144 VanDerWaalsContact C-N 3.29Å; D142-V144 WeakPolarHBondContact OD1-CA 3.41Å; D142-V144 PolarHBondContact OD1-N 3.18Å; D142-N145 PolarHBondContact OD1-N 3.37Å; D142-N145 PolarHBondContact OD2-ND2 3.38Å; D142-N145 VanDerWaalsContact OD2-ND2 3.13Å; D142-W148 PolarHBondContact N-O 3.3Å; D142-Y149 PolarHBondContact N-O 3.3Å | ||
| 143 | G | 92.3 | Very high | 95.6 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 24% | 0.237 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 85.9 | -1.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | S141 Y146 N272 | S141-G143 PolarHBondContact O-N 2.89Å; G143-Y146 WeakPolarHBondContact O-CE2 3.34Å; G143-N272 WeakPolarHBondContact CA-ND2 3.3Å; G143-N272 PolarHBondContact N-ND2 2.91Å |
| 144 | V | 92.4 | Very high | 95.7 | Very high | 108 Ų | 108 | 47.8 Ų | 47.8 | 66% | 0.655 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -116.1 | -55.3 | -177.1 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | D142 | D142-V144 VanDerWaalsContact C-N 3.29Å; D142-V144 WeakPolarHBondContact OD1-CA 3.41Å; D142-V144 PolarHBondContact OD1-N 3.18Å |
| 145 | N | 92.8 | Very high | 95.7 | Very high | 61 Ų | 61 | 42.4 Ų | 42.4 | 33% | 0.326 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -111.6 | 66.9 | -171.8 | -56.5 | -73.3 | 0 | 0 | 0 | 110.7 | D142 W148 N151 | D142-N145 PolarHBondContact OD1-N 3.37Å; D142-N145 PolarHBondContact OD2-ND2 3.38Å; D142-N145 VanDerWaalsContact OD2-ND2 3.13Å; N145-W148 WeakPolarHBondContact O-CB 3.47Å; N145-W148 VanDerWaalsContact O-CD1 3.24Å; N145-W148 PolarHBondContact O-N 3.45Å; N145-N151 PolarHBondContact ND2-ND2 3.21Å |
| 146 | Y | 95.2 | Very high | 95.7 | Very high | 44 Ų | 44 | 42.3 Ų | 42.3 | 17% | 0.173 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 140.5 | 175.3 | -71.6 | -98.8 | 0 | 0 | 0 | 111 | G143 V269 K270 N272 | G143-Y146 WeakPolarHBondContact O-CE2 3.34Å; Y146-V269 WeakPolarHBondContact CE1-O 3.48Å; Y146-K270 HydrophobicContact CD1-CG 4.31Å; Y146-K270 HydrophobicContact CD2-CG 3.79Å; Y146-K270 HydrophobicContact CE1-CB 4.39Å; Y146-K270 HydrophobicContact CE1-CG 3.93Å; Y146-K270 HydrophobicContact CE2-CD 4.15Å; Y146-K270 HydrophobicContact CE2-CG 3.38Å; Y146-K270 HydrophobicContact CG-CG 4.23Å; Y146-K270 VanDerWaalsContact CZ-CG 3.46Å; Y146-N272 HydrophobicContact CE1-CB 4.06Å; Y146-N272 VanDerWaalsContact OH-CB 3.32Å; Y146-N272 WeakPolarHBondContact OH-CB 3.26Å; Y146-N272 PolarHBondContact OH-N 3.26Å |
| 147 | P | 97.3 | Very high | 95.8 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 8% | 0.078 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -95.4 | 12.8 | 3.8 | 40.2 | -40.3 | 0 | 0 | 0 | 114.3 | I105 I210 M268 | I105-P147 HydrophobicContact CD1-CB 3.88Å; I105-P147 HydrophobicContact CD1-CG 3.34Å; I105-P147 HydrophobicContact CG1-CB 4.24Å; I105-P147 HydrophobicContact CG1-CG 3.94Å; I105-P147 HydrophobicContact CG2-CB 4.33Å; P147-I210 HydrophobicContact CG-CD1 3.89Å; P147-M268 HydrophobicContact CB-CB 4.49Å; P147-M268 HydrophobicContact CB-CE 4.28Å; P147-M268 HydrophobicContact CB-SD 3.94Å; P147-M268 HydrophobicContact CG-CE 3.84Å; P147-M268 HydrophobicContact CG-SD 4.05Å |
| 148 | W | 98.1 | Very high | 95.7 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | trans | -72.5 | 140.6 | -167.7 | -51.3 | 110.8 | 0 | 0 | 0 | 111.5 | T101 I105 S141 D142 N145 G150 T155 V208 I210 | T101-W148 HydrophobicContact CG2-CD2 4.35Å; T101-W148 HydrophobicContact CG2-CH2 3.91Å; T101-W148 HydrophobicContact CG2-CZ2 3.37Å; T101-W148 WeakPolarHBondContact O-CH2 3.38Å; I105-W148 HydrophobicContact CD1-CE3 4.45Å; I105-W148 HydrophobicContact CD1-CZ3 4.26Å; I105-W148 HydrophobicContact CG1-CE3 3.89Å; I105-W148 HydrophobicContact CG1-CZ3 4.03Å; S141-W148 WeakPolarHBondContact CA-O 3.5Å; S141-W148 WeakPolarHBondContact CB-O 3.21Å; S141-W148 PolarHBondContact OG-O 3.42Å; D142-W148 PolarHBondContact N-O 3.3Å; N145-W148 WeakPolarHBondContact O-CB 3.47Å; N145-W148 VanDerWaalsContact O-CD1 3.24Å; N145-W148 PolarHBondContact O-N 3.45Å; W148-G150 VanDerWaalsContact C-N 3.26Å; W148-G150 WeakPolarHBondContact CB-O 3.32Å; W148-G150 PolarHBondContact O-N 2.84Å; W148-T155 HydrophobicContact CB-CG2 3.9Å; W148-T155 HydrophobicContact CD2-CG2 3.67Å; W148-T155 HydrophobicContact CE3-CG2 3.73Å; W148-T155 HydrophobicContact CG-CG2 3.75Å; W148-V208 HydrophobicContact CZ3-CB 4.47Å; W148-I210 HydrophobicContact CH2-CB 4.09Å; W148-I210 HydrophobicContact CH2-CD1 3.69Å; W148-I210 HydrophobicContact CH2-CG1 3.73Å; W148-I210 HydrophobicContact CZ2-CB 4.01Å; W148-I210 HydrophobicContact CZ2-CD1 3.71Å; W148-I210 HydrophobicContact CZ2-CG1 3.99Å; W148-I210 HydrophobicContact CZ3-CD1 4.49Å | ||
| 149 | Y | 97.8 | Very high | 95.7 | Very high | 44 Ų | 44 | 42.6 Ų | 42.6 | 17% | 0.173 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -61.8 | -38.2 | 174.5 | 178.9 | -99.6 | 0 | 0 | 0 | 111.3 | W104 Q106 D140 D142 E154 M172 N173 D174 | W104-Y149 PolarHBondContact O-N 2.85Å; Q106-Y149 HydrophobicContact CB-CD2 3.93Å; D140-Y149 VanDerWaalsContact O-CD2 3.25Å; D140-Y149 WeakPolarHBondContact O-CD2 3.23Å; D142-Y149 PolarHBondContact N-O 3.3Å; Y149-E154 HydrophobicContact CD1-CG 4.03Å; Y149-M172 HydrophobicContact CD1-CB 4.01Å; Y149-M172 HydrophobicContact CD1-CE 3.64Å; Y149-M172 HydrophobicContact CD2-CE 3.89Å; Y149-M172 HydrophobicContact CE1-CB 4.39Å; Y149-M172 HydrophobicContact CE1-CE 3.86Å; Y149-M172 HydrophobicContact CE2-CE 4.08Å; Y149-M172 HydrophobicContact CG-CE 3.67Å; Y149-N173 WeakPolarHBondContact CE1-O 3.42Å; Y149-N173 PolarHBondContact OH-O 3.45Å; Y149-D174 HydrophobicContact CE2-CB 4.36Å; Y149-D174 WeakPolarHBondContact OH-CA 3.37Å; Y149-D174 WeakPolarHBondContact OH-CB 3.17Å; Y149-D174 PolarHBondContact OH-OD1 2.87Å |
| 150 | G | 95.1 | Very high | 95.5 | Very high | 9 Ų | 9 | 43 Ų | 43 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | trans | -158.2 | -179.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | W148 E154 T155 | W148-G150 VanDerWaalsContact C-N 3.26Å; W148-G150 WeakPolarHBondContact CB-O 3.32Å; W148-G150 PolarHBondContact O-N 2.84Å; G150-E154 WeakPolarHBondContact O-CB 3.49Å; G150-T155 WeakPolarHBondContact O-CG2 3.23Å | ||
| 151 | N | 91.3 | Very high | 95.3 | Very high | 92 Ų | 92 | 46.8 Ų | 46.8 | 49% | 0.492 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -129.3 | 9.8 | -172.4 | 64.7 | 0.1 | 0 | 0 | 0 | 113.9 | N145 E154 | N145-N151 PolarHBondContact ND2-ND2 3.21Å; N151-E154 PolarHBondContact N-OE2 3.4Å |
| 152 | T | 93.1 | Very high | 95.2 | Very high | 99 Ų | 99 | 48.2 Ų | 48.2 | 61% | 0.607 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -99 | -90.9 | -178 | 63.3 | 0 | 0 | 0 | 0 | 110.2 | E154 | T152-E154 VanDerWaalsContact C-N 3.3Å; T152-E154 WeakPolarHBondContact CA-OE2 3.41Å; T152-E154 PolarHBondContact N-OE2 3.17Å; T152-E154 PolarHBondContact OG1-OE2 2.97Å |
| 153 | T | 96.6 | Very high | 95.1 | Very high | 68 Ų | 68 | 55.2 Ų | 55.2 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -84.6 | -12 | 175.5 | 71.9 | 0 | 0 | 0 | 0 | 112.3 | T155 V170 S171 | T153-T155 VanDerWaalsContact C-N 3.32Å; T153-T155 PolarHBondContact O-N 3.25Å; T153-V170 CarbonylContact O-C 3.6Å; T153-V170 VanDerWaalsContact O-CA 3.29Å; T153-V170 WeakPolarHBondContact O-CA 3.22Å; T153-S171 CarbonylContact C-O 3.55Å; T153-S171 WeakPolarHBondContact CB-OG 3.2Å; T153-S171 PolarHBondContact O-N 2.89Å; T153-S171 VanDerWaalsContact O-O 3.12Å; T153-S171 PolarHBondContact OG1-O 3.49Å; T153-S171 PolarHBondContact OG1-OG 2.88Å; T153-S171 VanDerWaalsContact OG1-OG 3.06Å |
| 154 | E | 97.8 | Very high | 95.2 | Very high | 13 Ų | 13 | 62 Ų | 62 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -78.1 | -20.4 | -170.5 | -60.8 | 66.1 | -137.7 | 0 | 0 | 112.7 | G103 W104 Y149 G150 N151 T152 S171 M172 | G103-E154 CarbonylContact C-O 3.57Å; G103-E154 WeakPolarHBondContact CA-O 3.25Å; W104-E154 VanDerWaalsContact CD1-O 3.31Å; W104-E154 PolarHBondContact N-O 2.99Å; Y149-E154 HydrophobicContact CD1-CG 4.03Å; G150-E154 WeakPolarHBondContact O-CB 3.49Å; N151-E154 PolarHBondContact N-OE2 3.4Å; T152-E154 VanDerWaalsContact C-N 3.3Å; T152-E154 WeakPolarHBondContact CA-OE2 3.41Å; T152-E154 PolarHBondContact N-OE2 3.17Å; T152-E154 PolarHBondContact OG1-OE2 2.97Å; E154-S171 WeakPolarHBondContact CA-O 3.1Å; E154-S171 PolarHBondContact N-O 3.1Å; E154-M172 HydrophobicContact CG-CB 3.98Å |
| 155 | T | 97.9 | Very high | 95.3 | Very high | 26 Ų | 26 | 61.3 Ų | 61.3 | 16% | 0.16 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 152 | -177.5 | 64.9 | 0 | 0 | 0 | 0 | 111.3 | T101 I102 W148 G150 T153 | T101-T155 HydrophobicContact CG2-CG2 4.31Å; I102-T155 CarbonylContact O-C 3.55Å; I102-T155 VanDerWaalsContact O-CA 3.27Å; I102-T155 WeakPolarHBondContact O-CA 3.33Å; W148-T155 HydrophobicContact CB-CG2 3.9Å; W148-T155 HydrophobicContact CD2-CG2 3.67Å; W148-T155 HydrophobicContact CE3-CG2 3.73Å; W148-T155 HydrophobicContact CG-CG2 3.75Å; G150-T155 WeakPolarHBondContact O-CG2 3.23Å; T153-T155 VanDerWaalsContact C-N 3.32Å; T153-T155 PolarHBondContact O-N 3.25Å |
| 156 | C | 97.3 | Very high | 95.4 | Very high | 20 Ų | 20 | 60 Ų | 60 | 14% | 0.135 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 150.2 | 163.6 | 66.8 | 0 | 0 | 0 | 0 | 109.5 | T101 I102 F168 V170 | T101-C156 CarbonylContact C-O 3.59Å; T101-C156 WeakPolarHBondContact CA-O 3.27Å; I102-C156 PolarHBondContact N-O 2.66Å; I102-C156 PolarHBondContact O-N 2.83Å; C156-F168 HydrophobicContact CB-CB 4.39Å; C156-F168 HydrophobicContact CB-CD1 4.06Å; C156-F168 HydrophobicContact CB-CG 4.38Å; C156-V170 HydrophobicContact CB-CG1 4.12Å |
| 157 | T | 97.1 | Very high | 95.5 | Very high | 71 Ų | 71 | 65.4 Ų | 65.4 | 44% | 0.436 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.4 | 177.5 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | T99 W100 T101 V159 | T99-T157 HydrophobicContact CG2-CG2 3.5Å; W100-T157 CarbonylContact O-C 3.52Å; W100-T157 WeakPolarHBondContact O-CA 3.46Å; T101-T157 PolarHBondContact OG1-OG1 3.3Å; T101-T157 VanDerWaalsContact OG1-OG1 3.09Å; T157-V159 HydrophobicContact CG2-CG2 4.26Å |
| 158 | V | 95.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 67.5 Ų | 67.5 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 119.4 | 177.7 | -168.8 | 0 | 0 | 0 | 0 | 108.4 | V91 V94 T99 W100 T162 F168 | V91-V158 HydrophobicContact CG1-CG2 4.3Å; V94-V158 HydrophobicContact CB-CG1 4.46Å; V94-V158 HydrophobicContact CG2-CB 4.4Å; V94-V158 HydrophobicContact CG2-CG1 3.7Å; T99-V158 WeakPolarHBondContact CA-O 3.42Å; W100-V158 PolarHBondContact N-O 2.88Å; W100-V158 PolarHBondContact O-N 2.84Å; V158-T162 HydrophobicContact CG1-CG2 4.06Å; V158-F168 HydrophobicContact CB-CZ 4.48Å; V158-F168 HydrophobicContact CG1-CZ 4.38Å; V158-F168 HydrophobicContact CG2-CD2 4.19Å; V158-F168 HydrophobicContact CG2-CE1 4.21Å; V158-F168 HydrophobicContact CG2-CE2 3.42Å; V158-F168 VanDerWaalsContact CG2-CE2 3.42Å; V158-F168 HydrophobicContact CG2-CZ 3.44Å; V158-F168 VanDerWaalsContact CG2-CZ 3.44Å |
| 159 | V | 96.8 | Very high | 95.5 | Very high | 93 Ų | 93 | 69.2 Ų | 69.2 | 56% | 0.564 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.1 | 178.6 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | T99 T157 T162 | T99-V159 HydrophobicContact CG2-CG2 3.93Å; T157-V159 HydrophobicContact CG2-CG2 4.26Å; V159-T162 WeakPolarHBondContact O-CG2 3.25Å |
| 160 | G | 93.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 67.2 Ų | 67.2 | 10% | 0.103 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -81 | 162.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A95 E98 | A95-G160 WeakPolarHBondContact O-CA 3.19Å; E98-G160 PolarHBondContact O-N 2.9Å |
| 161 | P | 94.6 | Very high | 95.7 | Very high | 97 Ų | 97 | 68.6 Ų | 68.6 | 63% | 0.63 | 38% | 0.377 | S | S | * | . | cis | -80.1 | 137.4 | 3.2 | 30.6 | -32.7 | 0 | 0 | 0 | 112.7 | V94 A96 | V94-P161 CarbonylContact O-C 3.55Å; V94-P161 VanDerWaalsContact O-CA 3.24Å; V94-P161 WeakPolarHBondContact O-CA 3.43Å; A96-P161 HydrophobicContact CB-CB 4.1Å; A96-P161 HydrophobicContact CB-CG 4.22Å | ||
| 162 | T | 93.9 | Very high | 96 | Very high | 34 Ų | 34 | 64.4 Ų | 64.4 | 21% | 0.209 | 35% | 0.354 | C | S | . | . | trans | -112.3 | 149.4 | 166.1 | 68.5 | 0 | 0 | 0 | 0 | 109.8 | P93 V94 V158 V159 | P93-T162 WeakPolarHBondContact CA-OG1 3.1Å; P93-T162 WeakPolarHBondContact CB-O 3.48Å; V94-T162 PolarHBondContact N-OG1 3.44Å; V94-T162 PolarHBondContact O-N 2.97Å; V158-T162 HydrophobicContact CG1-CG2 4.06Å; V159-T162 WeakPolarHBondContact O-CG2 3.25Å | ||
| 163 | K | 90.9 | Very high | 96.1 | Very high | 202 Ų | 202 | 62.8 Ų | 62.8 | 88% | 0.878 | 34% | 0.342 | S | S | * | . | trans | -102.5 | -16 | -172.9 | -65.2 | -176.1 | -179.5 | 179.1 | 0 | 114.1 | ||||
| 164 | K | 92.9 | Very high | 96.2 | Very high | 167 Ų | 167 | 60.1 Ų | 60.1 | 73% | 0.726 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -141.6 | 156.4 | -172.6 | -63.9 | -175.4 | -179.8 | -179 | 0 | 109.4 | S166 | K164-S166 PolarHBondContact O-N 3.04Å; K164-S166 PolarHBondContact O-OG 3.02Å |
| 165 | D | 94.6 | Very high | 96.1 | Very high | 93 Ų | 93 | 61.3 Ų | 61.3 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | trans | -53.6 | 136.5 | 169.3 | -61 | 8.2 | 0 | 0 | 0 | 110.1 | L90 V91 P93 | L90-D165 HydrophobicContact CD1-CB 3.71Å; L90-D165 HydrophobicContact CD2-CB 4.41Å; L90-D165 HydrophobicContact CG-CB 3.99Å; V91-D165 CarbonylContact O-C 3.54Å; V91-D165 VanDerWaalsContact O-CA 3.25Å; V91-D165 WeakPolarHBondContact O-CA 3.39Å; P93-D165 WeakPolarHBondContact CD-OD1 3.17Å | ||
| 166 | S | 94.4 | Very high | 96 | Very high | 34 Ų | 34 | 61 Ų | 61 | 24% | 0.238 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.4 | -176.8 | -64.8 | 0 | 0 | 0 | 0 | 109.5 | V91 K164 | V91-S166 PolarHBondContact N-O 3.3Å; V91-S166 PolarHBondContact O-N 2.8Å; K164-S166 PolarHBondContact O-N 3.04Å; K164-S166 PolarHBondContact O-OG 3.02Å |
| 167 | K | 97.3 | Very high | 96 | Very high | 157 Ų | 157 | 65.7 Ų | 65.7 | 68% | 0.683 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 132.7 | 179.9 | -70.2 | 179.9 | -176.9 | 174.8 | 0 | 110.3 | L55 L89 L90 | L55-K167 HydrophobicContact CD1-CD 4.39Å; L55-K167 HydrophobicContact CD1-CG 4.36Å; L89-K167 VanDerWaalsContact O-CA 3.25Å; L89-K167 WeakPolarHBondContact O-CA 3.46Å; L90-K167 HydrophobicContact CD1-CD 4.43Å; L90-K167 HydrophobicContact CD1-CG 3.56Å |
| 168 | F | 97.3 | Very high | 95.9 | Very high | 56 Ų | 56 | 63.5 Ų | 63.5 | 25% | 0.246 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 157.1 | 177.2 | -59.1 | -82.8 | 0 | 0 | 0 | 110.7 | R88 L89 V91 C156 V158 | R88-F168 CarbonylContact C-O 3.54Å; R88-F168 WeakPolarHBondContact CA-O 3.38Å; L89-F168 PolarHBondContact N-O 2.9Å; L89-F168 PolarHBondContact O-N 3.29Å; V91-F168 HydrophobicContact CB-CD2 4.18Å; V91-F168 HydrophobicContact CB-CE2 3.98Å; V91-F168 HydrophobicContact CG2-CD2 3.59Å; V91-F168 HydrophobicContact CG2-CE2 3.84Å; C156-F168 HydrophobicContact CB-CB 4.39Å; C156-F168 HydrophobicContact CB-CD1 4.06Å; C156-F168 HydrophobicContact CB-CG 4.38Å; V158-F168 HydrophobicContact CB-CZ 4.48Å; V158-F168 HydrophobicContact CG1-CZ 4.38Å; V158-F168 HydrophobicContact CG2-CD2 4.19Å; V158-F168 HydrophobicContact CG2-CE1 4.21Å; V158-F168 HydrophobicContact CG2-CE2 3.42Å; V158-F168 VanDerWaalsContact CG2-CE2 3.42Å; V158-F168 HydrophobicContact CG2-CZ 3.44Å; V158-F168 VanDerWaalsContact CG2-CZ 3.44Å |
| 169 | A | 98.3 | Very high | 96 | Very high | 62 Ų | 62 | 66.4 Ų | 66.4 | 51% | 0.512 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 132.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | A87 R88 | A87-A169 WeakPolarHBondContact O-CA 3.46Å; R88-A169 HydrophobicContact CG-CB 4.42Å |
| 170 | V | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 142.5 | 172.7 | -67.3 | 0 | 0 | 0 | 0 | 109 | H86 A87 L89 W104 T153 C156 L207 | H86-V170 WeakPolarHBondContact CA-O 3.28Å; A87-V170 HydrophobicContact CB-CG2 4.14Å; A87-V170 PolarHBondContact N-O 3.45Å; A87-V170 PolarHBondContact O-N 2.81Å; L89-V170 HydrophobicContact CD1-CG2 4.21Å; W104-V170 HydrophobicContact CZ2-CG2 4.25Å; T153-V170 CarbonylContact O-C 3.6Å; T153-V170 VanDerWaalsContact O-CA 3.29Å; T153-V170 WeakPolarHBondContact O-CA 3.22Å; C156-V170 HydrophobicContact CB-CG1 4.12Å; V170-L207 HydrophobicContact CG2-CD1 3.7Å |
| 171 | S | 98.4 | Very high | 96.1 | Very high | 38 Ų | 38 | 64 Ų | 64 | 27% | 0.266 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 148.3 | 179 | 52 | 0 | 0 | 0 | 0 | 111 | A85 T153 E154 | A85-S171 CarbonylContact O-C 3.58Å; A85-S171 WeakPolarHBondContact O-CA 3.44Å; T153-S171 CarbonylContact C-O 3.55Å; T153-S171 WeakPolarHBondContact CB-OG 3.2Å; T153-S171 PolarHBondContact O-N 2.89Å; T153-S171 VanDerWaalsContact O-O 3.12Å; T153-S171 PolarHBondContact OG1-O 3.49Å; T153-S171 PolarHBondContact OG1-OG 2.88Å; T153-S171 VanDerWaalsContact OG1-OG 3.06Å; E154-S171 WeakPolarHBondContact CA-O 3.1Å; E154-S171 PolarHBondContact N-O 3.1Å |
| 172 | M | 97.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.02 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 156.8 | 167.5 | 63.9 | 175 | -69.6 | 0 | 0 | 109.6 | F83 R84 A85 W104 Q106 Y149 E154 T205 | F83-M172 HydrophobicContact CD1-CE 4.27Å; F83-M172 HydrophobicContact CE1-CE 3.94Å; F83-M172 HydrophobicContact CE1-CG 4.47Å; F83-M172 HydrophobicContact CE1-SD 4.14Å; R84-M172 WeakPolarHBondContact CA-O 3.4Å; A85-M172 HydrophobicContact CB-CG 3.89Å; A85-M172 PolarHBondContact N-O 3.09Å; A85-M172 VanDerWaalsContact N-O 3.08Å; A85-M172 PolarHBondContact O-N 2.9Å; W104-M172 HydrophobicContact CB-CB 4.32Å; W104-M172 HydrophobicContact CB-CG 4.17Å; W104-M172 HydrophobicContact CB-SD 3.49Å; W104-M172 WeakPolarHBondContact CB-SD 3.46Å; W104-M172 HydrophobicContact CD2-CG 4.12Å; W104-M172 HydrophobicContact CD2-SD 4.02Å; W104-M172 HydrophobicContact CE3-SD 4.34Å; W104-M172 HydrophobicContact CG-CB 4.04Å; W104-M172 HydrophobicContact CG-CG 3.78Å; W104-M172 HydrophobicContact CG-SD 3.65Å; Q106-M172 HydrophobicContact CB-CE 4.4Å; Q106-M172 VanDerWaalsContact OE1-CE 3.31Å; Y149-M172 HydrophobicContact CD1-CB 4.01Å; Y149-M172 HydrophobicContact CD1-CE 3.64Å; Y149-M172 HydrophobicContact CD2-CE 3.89Å; Y149-M172 HydrophobicContact CE1-CB 4.39Å; Y149-M172 HydrophobicContact CE1-CE 3.86Å; Y149-M172 HydrophobicContact CE2-CE 4.08Å; Y149-M172 HydrophobicContact CG-CE 3.67Å; E154-M172 HydrophobicContact CG-CB 3.98Å; M172-T205 HydrophobicContact CE-CG2 4.27Å; M172-T205 HydrophobicContact SD-CG2 3.41Å; M172-T205 WeakPolarHBondContact SD-CG2 3.46Å |
| 173 | N | 96.6 | Very high | 96.2 | Very high | 65 Ų | 65 | 58.6 Ų | 58.6 | 35% | 0.348 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 142.8 | 167.9 | 70.1 | 99.8 | 0 | 0 | 0 | 109.1 | H82 F83 R84 Y149 | H82-N173 PolarHBondContact ND1-OD1 3.28Å; F83-N173 CarbonylContact O-C 3.57Å; F83-N173 WeakPolarHBondContact O-CA 3.34Å; R84-N173 HydrophobicContact CG-CB 4.45Å; Y149-N173 WeakPolarHBondContact CE1-O 3.42Å; Y149-N173 PolarHBondContact OH-O 3.45Å |
| 174 | D | 97.2 | Very high | 96.4 | Very high | 12 Ų | 12 | 49.7 Ų | 49.7 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 141.2 | 179.9 | -170 | 14.2 | 0 | 0 | 0 | 110.1 | H82 F83 Q106 Y149 W225 | H82-D174 CarbonylContact C-O 3.57Å; H82-D174 VanDerWaalsContact CA-O 3.28Å; H82-D174 WeakPolarHBondContact CA-O 3.29Å; F83-D174 HydrophobicContact CB-CB 4.48Å; F83-D174 HydrophobicContact CD1-CB 4.26Å; F83-D174 PolarHBondContact N-O 2.8Å; F83-D174 PolarHBondContact O-N 2.91Å; Q106-D174 PolarHBondContact NE2-OD2 2.92Å; Y149-D174 HydrophobicContact CE2-CB 4.36Å; Y149-D174 WeakPolarHBondContact OH-CA 3.37Å; Y149-D174 WeakPolarHBondContact OH-CB 3.17Å; Y149-D174 PolarHBondContact OH-OD1 2.87Å; D174-W225 HydrophobicContact CB-CH2 4.26Å; D174-W225 HydrophobicContact CB-CZ2 4.18Å; D174-W225 WeakPolarHBondContact OD2-CH2 3.5Å; D174-W225 VanDerWaalsContact OD2-CZ2 3.28Å; D174-W225 WeakPolarHBondContact OD2-CZ2 3.36Å |
| 175 | N | 96.6 | Very high | 96.2 | Very high | 39 Ų | 39 | 43.5 Ų | 43.5 | 21% | 0.209 | 24% | 0.241 | C | C | . | . | trans | -156.8 | 167.6 | 171.6 | 77 | -36.6 | 0 | 0 | 0 | 110.9 | R79 H82 | R79-N175 VanDerWaalsContact CG-ND2 3.31Å; R79-N175 WeakPolarHBondContact CG-ND2 2.89Å; H82-N175 PolarHBondContact CE1-ND2 2.88Å; H82-N175 VanDerWaalsContact CE1-ND2 3.34Å; H82-N175 PolarHBondContact CE1-OD1 2.86Å; H82-N175 PolarHBondContact NE2-ND2 2.92Å | ||
| 176 | F | 95.8 | Very high | 96 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 8% | 0.083 | 24% | 0.235 | C | C | . | . | trans | -106.7 | 132 | 176.6 | -55.1 | -47.9 | 0 | 0 | 0 | 112.3 | R79 T80 F203 W225 M227 | R79-F176 VanDerWaalsContact CA-O 3.3Å; R79-F176 WeakPolarHBondContact CA-O 3.29Å; T80-F176 HydrophobicContact CG2-CB 3.98Å; T80-F176 HydrophobicContact CG2-CD2 4.07Å; T80-F176 PolarHBondContact N-O 2.77Å; T80-F176 PolarHBondContact OG1-N 2.71Å; F176-F203 HydrophobicContact CE1-CZ 4.12Å; F176-F203 HydrophobicContact CE2-CE2 4.32Å; F176-F203 AromaticContact CZ-CE2 3.6Å; F176-F203 HydrophobicContact CZ-CE2 3.6Å; F176-F203 AromaticContact CZ-CZ 3.51Å; F176-F203 HydrophobicContact CZ-CZ 3.51Å; F176-W225 HydrophobicContact CZ-CH2 4.26Å; F176-M227 HydrophobicContact CD2-CB 4.3Å; F176-M227 HydrophobicContact CD2-CG 3.77Å; F176-M227 HydrophobicContact CE2-CB 3.63Å; F176-M227 HydrophobicContact CE2-CG 3.63Å | ||
| 177 | Y | 96.8 | Very high | 95.5 | Very high | 119 Ų | 119 | 43.1 Ų | 43.1 | 47% | 0.467 | 24% | 0.243 | S | C | . | . | trans | -136.5 | 61.1 | 177.3 | -168.7 | -128.3 | 0 | 0 | 0 | 112.6 | Y78 R79 | Y78-Y177 WeakPolarHBondContact O-CA 3.47Å; Y78-Y177 WeakPolarHBondContact O-CD2 3.27Å; R79-Y177 HydrophobicContact CB-CD2 3.64Å; R79-Y177 HydrophobicContact CB-CE2 4.09Å; R79-Y177 HydrophobicContact CG-CD2 3.89Å | ||
| 178 | P | 96.1 | Very high | 94.6 | Very high | 25 Ų | 25 | 43.8 Ų | 43.8 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | trans | -82.8 | 165.2 | -177.6 | 35.3 | -35.3 | 0 | 0 | 0 | 112.6 | Y78 F113 | Y78-P178 HydrophobicContact CD1-CG 4.08Å; Y78-P178 HydrophobicContact CD2-CG 4.25Å; Y78-P178 HydrophobicContact CE1-CG 3.43Å; Y78-P178 VanDerWaalsContact CE1-CG 3.43Å; Y78-P178 HydrophobicContact CE2-CG 3.62Å; Y78-P178 HydrophobicContact CG-CG 4.46Å; Y78-P178 WeakPolarHBondContact O-CD 3.18Å; Y78-P178 WeakPolarHBondContact OH-CG 3.28Å; F113-P178 HydrophobicContact CE1-CB 4.38Å; F113-P178 HydrophobicContact CZ-CB 4.29Å; F113-P178 HydrophobicContact CZ-CG 4.21Å | ||
| 179 | S | 96.6 | Very high | 93.8 | Very high | 67 Ų | 67 | 43.7 Ų | 43.7 | 47% | 0.469 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.9 | 166.1 | -59.9 | 0 | 0 | 0 | 0 | 109.3 | R77 | R77-S179 PolarHBondContact NE-OG 2.98Å |
| 180 | V | 97.1 | Very high | 92.8 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.9 | 179 | -178 | 0 | 0 | 0 | 0 | 108.9 | V75 L76 Y78 F113 N115 L194 I197 | V75-V180 CarbonylContact C-O 3.16Å; V75-V180 WeakPolarHBondContact CA-O 3.48Å; V75-V180 WeakPolarHBondContact CB-O 3.34Å; L76-V180 PolarHBondContact N-O 2.78Å; L76-V180 PolarHBondContact O-N 3.09Å; Y78-V180 HydrophobicContact CE1-CG2 4.25Å; F113-V180 HydrophobicContact CE2-CG2 4.42Å; F113-V180 HydrophobicContact CZ-CG2 4.12Å; N115-V180 HydrophobicContact CB-CG1 4.03Å; V180-L194 HydrophobicContact CG1-CD1 3.98Å; V180-L194 HydrophobicContact CG1-CD2 3.92Å; V180-I197 HydrophobicContact CB-CD1 4.04Å; V180-I197 HydrophobicContact CG1-CD1 4.15Å; V180-I197 HydrophobicContact CG1-CG1 4.33Å; V180-I197 HydrophobicContact CG2-CD1 3.92Å |
| 181 | T | 95.8 | Very high | 92.4 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 142.8 | -179.4 | 57.1 | 0 | 0 | 0 | 0 | 111.7 | V75 Y117 G183 | V75-T181 HydrophobicContact CG1-CG2 4.27Å; Y117-T181 WeakPolarHBondContact CE1-O 3.49Å; Y117-T181 PolarHBondContact OH-O 2.96Å; Y117-T181 PolarHBondContact OH-OG1 3.1Å; T181-G183 WeakPolarHBondContact CB-O 3.28Å; T181-G183 PolarHBondContact OG1-O 2.93Å |
| 182 | W | 96.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 2% | 0.019 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -68.6 | -39.1 | 171.2 | -61.8 | 119.3 | 0 | 0 | 0 | 111.9 | E70 S72 S73 V74 V75 L76 P192 L193 L194 V233 L239 R242 | E70-W182 HydrophobicContact CB-CH2 4.22Å; E70-W182 HydrophobicContact CB-CZ2 4.08Å; E70-W182 HydrophobicContact CG-CH2 3.87Å; E70-W182 HydrophobicContact CG-CZ2 4.22Å; S72-W182 PolarHBondContact O-NE1 3.31Å; S73-W182 VanDerWaalsContact C-CD1 3.47Å; S73-W182 VanDerWaalsContact O-CD1 3.26Å; V74-W182 VanDerWaalsContact O-CD1 3.28Å; V74-W182 PolarHBondContact O-N 2.77Å; V75-W182 VanDerWaalsContact C-NE1 3.33Å; V75-W182 PolarHBondContact O-NE1 3.48Å; L76-W182 HydrophobicContact CB-CD2 4.49Å; L76-W182 HydrophobicContact CB-CE3 4.28Å; L76-W182 HydrophobicContact CB-CH2 3.61Å; L76-W182 HydrophobicContact CB-CZ2 3.79Å; L76-W182 HydrophobicContact CB-CZ3 3.84Å; L76-W182 HydrophobicContact CD1-CH2 3.66Å; L76-W182 HydrophobicContact CD1-CZ3 3.75Å; L76-W182 HydrophobicContact CG-CH2 3.99Å; L76-W182 HydrophobicContact CG-CZ2 4.49Å; L76-W182 HydrophobicContact CG-CZ3 4.35Å; W182-P192 HydrophobicContact CB-CB 4.02Å; W182-L193 PolarHBondContact O-N 3.06Å; W182-L194 HydrophobicContact CE3-CB 4.42Å; W182-L194 HydrophobicContact CE3-CD2 4.09Å; W182-L194 HydrophobicContact CZ3-CD2 4.35Å; W182-L194 WeakPolarHBondContact O-CB 3.47Å; W182-L194 PolarHBondContact O-N 2.8Å; W182-V233 HydrophobicContact CE3-CG1 4.39Å; W182-V233 HydrophobicContact CZ3-CG1 3.82Å; W182-L239 HydrophobicContact CZ2-CD1 3.69Å; W182-R242 HydrophobicContact CH2-CB 4.47Å; W182-R242 HydrophobicContact CZ3-CB 4.35Å |
| 183 | G | 94.9 | Very high | 92.2 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 12% | 0.124 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -89.8 | 166 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y117 T181 V191 | Y117-G183 VanDerWaalsContact CE1-C 3.5Å; Y117-G183 WeakPolarHBondContact CE1-O 3.26Å; T181-G183 WeakPolarHBondContact CB-O 3.28Å; T181-G183 PolarHBondContact OG1-O 2.93Å; G183-V191 WeakPolarHBondContact CA-O 3.48Å |
| 184 | V | 94.2 | Very high | 92.3 | Very high | 16 Ų | 16 | 50.3 Ų | 50.3 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | trans | -59.3 | 128.3 | 175.5 | 170 | 0 | 0 | 0 | 0 | 109.4 | Y117 K120 V186 S187 L193 W281 | Y117-V184 HydrophobicContact CD1-CG2 4.26Å; Y117-V184 HydrophobicContact CG-CG2 4.14Å; K120-V184 HydrophobicContact CB-CG2 4.04Å; K120-V184 HydrophobicContact CG-CG2 4.34Å; V184-V186 HydrophobicContact CG1-CG2 3.74Å; V184-V186 PolarHBondContact O-N 3.25Å; V184-S187 PolarHBondContact O-N 3.2Å; V184-L193 HydrophobicContact CG2-CD1 4.1Å; V184-W281 HydrophobicContact CB-CH2 4.27Å; V184-W281 HydrophobicContact CB-CZ2 4.5Å; V184-W281 HydrophobicContact CG1-CD2 4.17Å; V184-W281 HydrophobicContact CG1-CE3 4.25Å; V184-W281 HydrophobicContact CG1-CH2 3.59Å; V184-W281 HydrophobicContact CG1-CZ2 3.46Å; V184-W281 VanDerWaalsContact CG1-CZ2 3.46Å; V184-W281 HydrophobicContact CG1-CZ3 3.98Å; V184-W281 HydrophobicContact CG2-CH2 3.79Å; V184-W281 HydrophobicContact CG2-CZ2 4.22Å; V184-W281 HydrophobicContact CG2-CZ3 4.46Å | ||
| 185 | P | 89.8 | Confident | 92.3 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 23% | 0.234 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -10.1 | -168.1 | 26.5 | -36.9 | 0 | 0 | 0 | 115.3 | W281 V291 | P185-W281 HydrophobicContact CG-CE3 3.97Å; P185-V291 HydrophobicContact CB-CG1 4.42Å |
| 186 | V | 89.6 | Confident | 92.4 | Very high | 59 Ų | 59 | 50 Ų | 50 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 6.6 | 178.5 | -60.9 | 0 | 0 | 0 | 0 | 113 | V184 W281 M289 V291 | V184-V186 HydrophobicContact CG1-CG2 3.74Å; V184-V186 PolarHBondContact O-N 3.25Å; V186-W281 HydrophobicContact CG1-CB 4.08Å; V186-W281 HydrophobicContact CG1-CG 4.21Å; V186-W281 HydrophobicContact CG2-CD2 4.25Å; V186-W281 HydrophobicContact CG2-CG 3.92Å; V186-M289 HydrophobicContact CB-SD 4.18Å; V186-M289 HydrophobicContact CG1-CE 4.4Å; V186-M289 HydrophobicContact CG1-CG 4.4Å; V186-M289 HydrophobicContact CG1-SD 3.81Å; V186-M289 HydrophobicContact CG2-SD 4.14Å; V186-V291 HydrophobicContact CG1-CB 4.3Å; V186-V291 HydrophobicContact CG1-CG1 4Å; V186-V291 HydrophobicContact CG1-CG2 3.45Å; V186-V291 VanDerWaalsContact CG1-CG2 3.45Å |
| 187 | S | 84.5 | Confident | 92.5 | Very high | 60 Ų | 60 | 49.1 Ų | 49.1 | 42% | 0.42 | 29% | 0.286 | S | S | . | . | trans | -105.7 | 141.2 | -177.5 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | V184 S189 | V184-S187 PolarHBondContact O-N 3.2Å; S187-S189 PolarHBondContact O-N 3.46Å; S187-S189 VanDerWaalsContact OG-CB 3.3Å; S187-S189 WeakPolarHBondContact OG-CB 3.39Å; S187-S189 PolarHBondContact OG-N 2.84Å | ||
| 188 | D | 77.4 | Confident | 92.6 | Very high | 172 Ų | 172 | 47.5 Ų | 47.5 | 92% | 0.92 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -74.3 | 2 | 168.9 | -57.3 | -42.5 | 0 | 0 | 0 | 113 | ||
| 189 | S | 80.9 | Confident | 92.7 | Very high | 53 Ų | 53 | 47.4 Ų | 47.4 | 37% | 0.371 | 28% | 0.28 | S | S | . | . | trans | -87.9 | 128.5 | -179.6 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | S187 V191 | S187-S189 PolarHBondContact O-N 3.46Å; S187-S189 VanDerWaalsContact OG-CB 3.3Å; S187-S189 WeakPolarHBondContact OG-CB 3.39Å; S187-S189 PolarHBondContact OG-N 2.84Å; S189-V191 PolarHBondContact O-N 2.8Å; S189-V191 WeakPolarHBondContact OG-CG2 3.4Å; S189-V191 PolarHBondContact OG-N 2.93Å | ||
| 190 | N | 77.5 | Confident | 92.7 | Very high | 150 Ų | 150 | 45.5 Ų | 45.5 | 80% | 0.802 | 26% | 0.264 | S | S | * | . | trans | -85.4 | 12.4 | 173.7 | -68.1 | -33.4 | 0 | 0 | 0 | 113.5 | P192 | N190-P192 WeakPolarHBondContact O-CD 3.22Š| ||
| 191 | V | 90.9 | Very high | 92.8 | Very high | 78 Ų | 78 | 45.6 Ų | 45.6 | 47% | 0.473 | 26% | 0.264 | S | S | . | . | trans | -67.7 | 124.6 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | G183 S189 L193 | G183-V191 WeakPolarHBondContact CA-O 3.48Å; S189-V191 PolarHBondContact O-N 2.8Å; S189-V191 WeakPolarHBondContact OG-CG2 3.4Å; S189-V191 PolarHBondContact OG-N 2.93Å; V191-L193 HydrophobicContact CG1-CD2 4.11Å; V191-L193 HydrophobicContact CG1-CG 4.12Å; V191-L193 PolarHBondContact O-N 2.97Å | ||
| 192 | P | 94.7 | Very high | 92.9 | Very high | 32 Ų | 32 | 44.7 Ų | 44.7 | 21% | 0.208 | 26% | 0.26 | C | S | . | . | trans | -68.6 | 123.5 | 176.7 | 29.8 | -34.6 | 0 | 0 | 0 | 109.5 | W182 N190 P235 R242 | W182-P192 HydrophobicContact CB-CB 4.02Å; N190-P192 WeakPolarHBondContact O-CD 3.22Å; P192-P235 HydrophobicContact CB-CB 4.21Å; P192-P235 WeakPolarHBondContact O-CB 3.42Å; P192-R242 VanDerWaalsContact CB-NH1 3.33Å | ||
| 193 | L | 96.9 | Very high | 93 | Very high | 49 Ų | 49 | 44.7 Ų | 44.7 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | trans | -133.2 | -11.4 | -178.1 | -68.3 | 173.7 | 0 | 0 | 0 | 113 | Y117 G118 K120 W182 V184 V191 S195 | Y117-L193 CarbonylContact C-O 3.54Å; Y117-L193 WeakPolarHBondContact CA-O 3.49Å; Y117-L193 HydrophobicContact CD1-CB 4.34Å; G118-L193 PolarHBondContact N-O 2.8Å; G118-L193 VanDerWaalsContact N-O 3.15Å; K120-L193 HydrophobicContact CG-CD1 3.9Å; W182-L193 PolarHBondContact O-N 3.06Å; V184-L193 HydrophobicContact CG2-CD1 4.1Å; V191-L193 HydrophobicContact CG1-CD2 4.11Å; V191-L193 HydrophobicContact CG1-CG 4.12Å; V191-L193 PolarHBondContact O-N 2.97Å; L193-S195 PolarHBondContact O-N 3.28Å | ||
| 194 | L | 98.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | trans | -54 | 125.2 | 175 | -178.2 | 69.5 | 0 | 0 | 0 | 109.6 | L76 N115 T116 Y117 V180 W182 I197 V233 | L76-L194 HydrophobicContact CB-CD2 4.39Å; N115-L194 HydrophobicContact CB-CD1 3.88Å; T116-L194 WeakPolarHBondContact O-CA 3.4Å; Y117-L194 HydrophobicContact CD1-CB 4.18Å; Y117-L194 HydrophobicContact CE1-CB 4.07Å; Y117-L194 HydrophobicContact CE1-CD1 4.08Å; V180-L194 HydrophobicContact CG1-CD1 3.98Å; V180-L194 HydrophobicContact CG1-CD2 3.92Å; W182-L194 HydrophobicContact CE3-CB 4.42Å; W182-L194 HydrophobicContact CE3-CD2 4.09Å; W182-L194 HydrophobicContact CZ3-CD2 4.35Å; W182-L194 WeakPolarHBondContact O-CB 3.47Å; W182-L194 PolarHBondContact O-N 2.8Å; L194-I197 HydrophobicContact CD1-CG1 4.09Å; L194-I197 HydrophobicContact CD2-CD1 4.07Å; L194-I197 HydrophobicContact CD2-CG1 4.2Å; L194-V233 HydrophobicContact CD2-CG2 4.11Å; L194-V233 HydrophobicContact CG-CB 4.4Å; L194-V233 HydrophobicContact CG-CG1 4.49Å; L194-V233 HydrophobicContact CG-CG2 4.15Å; L194-V233 WeakPolarHBondContact O-CB 3.33Å; L194-V233 WeakPolarHBondContact O-CG1 3.14Å | ||
| 195 | S | 98.3 | Very high | 93.4 | Very high | 29 Ų | 29 | 43.6 Ų | 43.6 | 20% | 0.203 | 25% | 0.251 | C | S | . | . | trans | -124.1 | -20.5 | -175.7 | 63.7 | 0 | 0 | 0 | 0 | 113.4 | T116 G118 L193 V233 | T116-S195 PolarHBondContact O-N 3.01Å; T116-S195 PolarHBondContact O-OG 3.3Å; G118-S195 PolarHBondContact N-OG 2.95Å; L193-S195 PolarHBondContact O-N 3.28Å; S195-V233 CarbonylContact C-O 3.52Å; S195-V233 VanDerWaalsContact CA-O 3.3Å; S195-V233 WeakPolarHBondContact CA-O 3.44Å; S195-V233 PolarHBondContact O-N 2.8Å; S195-V233 VanDerWaalsContact O-O 3.1Å | ||
| 196 | S | 98.4 | Very high | 93.8 | Very high | 15 Ų | 15 | 42 Ų | 42 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 144 | 175.9 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | N115 T116 H230 I231 | N115-S196 CarbonylContact C-O 3.57Å; N115-S196 WeakPolarHBondContact CA-O 3.34Å; T116-S196 PolarHBondContact N-O 3.3Å; T116-S196 PolarHBondContact O-N 3.11Å; S196-H230 PolarHBondContact OG-CD2 3.41Å; S196-H230 PolarHBondContact OG-NE2 3.34Å; S196-H230 VanDerWaalsContact OG-NE2 3.12Å; S196-I231 CarbonylContact C-O 3.59Å; S196-I231 VanDerWaalsContact CA-O 3.32Å; S196-I231 WeakPolarHBondContact CA-O 3.3Å |
| 197 | I | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.5 | 165 | -57.7 | 167.7 | 0 | 0 | 0 | 107.5 | L76 Y78 F113 Y114 V180 L194 L229 H230 I231 | L76-I197 HydrophobicContact CD1-CD1 4.42Å; L76-I197 HydrophobicContact CD2-CD1 3.75Å; Y78-I197 HydrophobicContact CD1-CD1 4.31Å; Y78-I197 HydrophobicContact CE1-CD1 4.24Å; Y78-I197 HydrophobicContact CE1-CG2 4.07Å; F113-I197 HydrophobicContact CD2-CG2 4.39Å; F113-I197 HydrophobicContact CE2-CG2 3.82Å; Y114-I197 CarbonylContact O-C 3.47Å; Y114-I197 WeakPolarHBondContact O-CA 3.46Å; V180-I197 HydrophobicContact CB-CD1 4.04Å; V180-I197 HydrophobicContact CG1-CD1 4.15Å; V180-I197 HydrophobicContact CG1-CG1 4.33Å; V180-I197 HydrophobicContact CG2-CD1 3.92Å; L194-I197 HydrophobicContact CD1-CG1 4.09Å; L194-I197 HydrophobicContact CD2-CD1 4.07Å; L194-I197 HydrophobicContact CD2-CG1 4.2Å; I197-L229 HydrophobicContact CG2-CD1 4.08Å; I197-H230 CarbonylContact O-C 3.49Å; I197-H230 WeakPolarHBondContact O-CA 3.46Å; I197-I231 HydrophobicContact CB-CB 4.21Å; I197-I231 HydrophobicContact CD1-CD1 4.36Å; I197-I231 PolarHBondContact N-O 3.06Å; I197-I231 PolarHBondContact O-N 2.8Å |
| 198 | Q | 98.3 | Very high | 94.9 | Very high | 85 Ų | 85 | 36.3 Ų | 36.3 | 40% | 0.397 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.2 | 173.1 | -69.4 | -176.4 | -14.4 | 0 | 0 | 109.4 | F113 Y114 L229 | F113-Q198 CarbonylContact C-O 3.55Å; F113-Q198 WeakPolarHBondContact CA-O 3.39Å; Y114-Q198 PolarHBondContact N-O 2.89Å; Y114-Q198 PolarHBondContact O-N 3.29Å; Q198-L229 WeakPolarHBondContact CA-O 3.33Å |
| 199 | R | 97.7 | Very high | 95.9 | Very high | 23 Ų | 23 | 28.1 Ų | 28.1 | 9% | 0.087 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 140.1 | 173.8 | -166 | 175.7 | 178.9 | 179.6 | -4.7 | 111 | M112 F113 Q201 R228 L229 | M112-R199 CarbonylContact O-C 3.54Å; M112-R199 VanDerWaalsContact O-CA 3.31Å; M112-R199 WeakPolarHBondContact O-CA 3.31Å; M112-R199 WeakPolarHBondContact O-CG 3.47Å; F113-R199 HydrophobicContact CB-CG 4.21Å; F113-R199 HydrophobicContact CD2-CB 4.37Å; F113-R199 HydrophobicContact CD2-CG 4.4Å; F113-R199 HydrophobicContact CG-CG 4.27Å; R199-Q201 HydrophobicContact CG-CG 4.11Å; R199-Q201 VanDerWaalsContact NE-NE2 3.13Å; R199-Q201 VanDerWaalsContact NH2-CD 3.27Å; R199-R228 CarbonylContact O-C 3.52Å; R199-R228 VanDerWaalsContact O-CA 3.27Å; R199-R228 WeakPolarHBondContact O-CA 3.38Å; R199-L229 HydrophobicContact CB-CD1 4.34Å; R199-L229 HydrophobicContact CB-CD2 3.84Å; R199-L229 HydrophobicContact CB-CG 3.74Å; R199-L229 PolarHBondContact N-O 3.33Å; R199-L229 PolarHBondContact O-N 2.75Å |
| 200 | D | 97.8 | Very high | 96.7 | Very high | 27 Ų | 27 | 26.6 Ų | 26.6 | 14% | 0.144 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 111.8 | 175.7 | -165.3 | -29 | 0 | 0 | 0 | 108.7 | M112 R226 M227 R228 | M112-D200 HydrophobicContact CB-CB 4.14Å; M112-D200 PolarHBondContact N-O 2.89Å; M112-D200 PolarHBondContact O-N 2.89Å; D200-R226 IonicContact OD1-CZ 2.67Å; D200-R226 VanDerWaalsContact OD1-CZ 3.28Å; D200-R226 IonicContact OD1-NE 3.51Å; D200-R226 PolarHBondContact OD1-NE 2.88Å; D200-R226 IonicContact OD1-NH2 2.7Å; D200-R226 PolarHBondContact OD1-NH2 2.83Å; D200-R226 VanDerWaalsContact OD1-NH2 3.08Å; D200-R226 IonicContact OD2-CZ 3.08Å; D200-R226 IonicContact OD2-NE 3.18Å; D200-R226 IonicContact OD2-NH2 3.44Å; D200-R226 PolarHBondContact OD2-NH2 3.01Å; D200-M227 WeakPolarHBondContact CA-O 3.36Å; D200-R228 HydrophobicContact CB-CG 4.3Å |
| 201 | Q | 97.7 | Very high | 97.6 | Very high | 7 Ų | 7 | 19.7 Ų | 19.7 | 3% | 0.033 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 135.1 | -179.2 | -63 | -170.1 | -12.6 | 0 | 0 | 111 | H110 M111 R199 F203 R226 M227 | H110-Q201 VanDerWaalsContact O-CA 3.23Å; H110-Q201 WeakPolarHBondContact O-CA 3.39Å; M111-Q201 HydrophobicContact CB-CG 4.26Å; M111-Q201 HydrophobicContact CG-CG 4.14Å; M111-Q201 VanDerWaalsContact CG-NE2 3.35Å; M111-Q201 PolarHBondContact SD-NE2 2.98Å; R199-Q201 HydrophobicContact CG-CG 4.11Å; R199-Q201 VanDerWaalsContact NE-NE2 3.13Å; R199-Q201 VanDerWaalsContact NH2-CD 3.27Å; Q201-F203 HydrophobicContact CB-CE2 3.54Å; Q201-F203 HydrophobicContact CB-CZ 3.87Å; Q201-R226 CarbonylContact O-C 3.52Å; Q201-R226 VanDerWaalsContact O-CA 3.26Å; Q201-R226 WeakPolarHBondContact O-CA 3.41Å; Q201-R226 VanDerWaalsContact O-CG 3.26Å; Q201-R226 WeakPolarHBondContact O-CG 3.44Å; Q201-M227 PolarHBondContact N-O 3.3Å; Q201-M227 PolarHBondContact O-N 2.93Å |
| 202 | S | 98.4 | Very high | 97.8 | Very high | 30 Ų | 30 | 21.2 Ų | 21.2 | 21% | 0.21 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 141.1 | 177.9 | -55.4 | 0 | 0 | 0 | 0 | 110.4 | N109 H110 R226 | N109-S202 PolarHBondContact N-O 2.77Å; H110-S202 PolarHBondContact N-O 2.86Å; H110-S202 PolarHBondContact O-N 2.91Å; S202-R226 WeakPolarHBondContact OG-CG 3.36Å |
| 203 | F | 98.7 | Very high | 97.8 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 2% | 0.022 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 149.7 | -175.1 | -61.2 | -91.4 | 0 | 0 | 0 | 111 | Q106 A107 C108 N109 F176 Q201 R224 W225 | Q106-F203 HydrophobicContact CG-CB 4.35Å; Q106-F203 HydrophobicContact CG-CD1 4.06Å; A107-F203 VanDerWaalsContact O-CA 3.3Å; A107-F203 WeakPolarHBondContact O-CA 3.35Å; C108-F203 HydrophobicContact CB-CD1 4.03Å; C108-F203 HydrophobicContact CB-CE1 3.72Å; N109-F203 VanDerWaalsContact OD1-C 3.28Å; F176-F203 HydrophobicContact CE1-CZ 4.12Å; F176-F203 HydrophobicContact CE2-CE2 4.32Å; F176-F203 AromaticContact CZ-CE2 3.6Å; F176-F203 HydrophobicContact CZ-CE2 3.6Å; F176-F203 AromaticContact CZ-CZ 3.51Å; F176-F203 HydrophobicContact CZ-CZ 3.51Å; Q201-F203 HydrophobicContact CB-CE2 3.54Å; Q201-F203 HydrophobicContact CB-CZ 3.87Å; F203-R224 WeakPolarHBondContact O-CA 3.22Å; F203-W225 HydrophobicContact CB-CD2 4.08Å; F203-W225 HydrophobicContact CB-CG 4.23Å; F203-W225 HydrophobicContact CB-CZ2 3.96Å; F203-W225 VanDerWaalsContact CB-NE1 3.35Å; F203-W225 HydrophobicContact CD1-CZ2 4.22Å; F203-W225 HydrophobicContact CD2-CD2 4Å; F203-W225 AromaticContact CD2-CE2 3.73Å; F203-W225 HydrophobicContact CD2-CE3 4.07Å; F203-W225 AromaticContact CD2-CH2 3.63Å; F203-W225 HydrophobicContact CD2-CH2 3.63Å; F203-W225 AromaticContact CD2-CZ2 3.55Å; F203-W225 HydrophobicContact CD2-CZ2 3.55Å; F203-W225 AromaticContact CD2-CZ3 3.9Å; F203-W225 HydrophobicContact CD2-CZ3 3.9Å; F203-W225 AromaticContact CE2-CH2 3.81Å; F203-W225 HydrophobicContact CE2-CH2 3.81Å; F203-W225 HydrophobicContact CE2-CZ2 4.11Å; F203-W225 HydrophobicContact CE2-CZ3 4.15Å; F203-W225 HydrophobicContact CG-CD2 4.35Å; F203-W225 AromaticContact CG-CE2 3.72Å; F203-W225 HydrophobicContact CG-CH2 4.19Å; F203-W225 AromaticContact CG-CZ2 3.63Å; F203-W225 HydrophobicContact CG-CZ2 3.63Å; F203-W225 HydrophobicContact CZ-CH2 4.47Å; F203-W225 PolarHBondContact N-O 2.97Å; F203-W225 PolarHBondContact O-N 2.86Å; F203-W225 VanDerWaalsContact O-N 3.11Å |
| 204 | T | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.3 | 164.7 | -53.6 | 0 | 0 | 0 | 0 | 107.9 | Q106 A107 N109 W206 T222 I223 | Q106-T204 WeakPolarHBondContact CA-O 3.34Å; A107-T204 PolarHBondContact N-O 2.8Å; A107-T204 PolarHBondContact O-N 2.87Å; N109-T204 WeakPolarHBondContact OD1-CB 3.22Å; N109-T204 PolarHBondContact OD1-N 3Å; N109-T204 PolarHBondContact OD1-OG1 2.84Å; T204-W206 HydrophobicContact CG2-CD2 4.02Å; T204-W206 VanDerWaalsContact CG2-CE2 3.47Å; T204-W206 HydrophobicContact CG2-CE3 4.34Å; T204-W206 HydrophobicContact CG2-CH2 3.68Å; T204-W206 HydrophobicContact CG2-CZ2 3.29Å; T204-W206 HydrophobicContact CG2-CZ3 4.19Å; T204-W206 WeakPolarHBondContact O-CZ3 3.41Å; T204-T222 HydrophobicContact CG2-CG2 3.6Å; T204-I223 WeakPolarHBondContact CA-O 3.39Å |
| 205 | T | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.1 | -179.3 | -53.9 | 0 | 0 | 0 | 0 | 108.4 | W104 I105 Q106 M172 I223 W225 | W104-T205 HydrophobicContact CE3-CG2 3.9Å; I105-T205 CarbonylContact O-C 3.57Å; I105-T205 VanDerWaalsContact O-CA 3.32Å; I105-T205 WeakPolarHBondContact O-CA 3.48Å; Q106-T205 PolarHBondContact OE1-OG1 3.29Å; M172-T205 HydrophobicContact CE-CG2 4.27Å; M172-T205 HydrophobicContact SD-CG2 3.41Å; M172-T205 WeakPolarHBondContact SD-CG2 3.46Å; T205-I223 PolarHBondContact N-O 2.79Å; T205-I223 PolarHBondContact O-N 2.65Å; T205-W225 PolarHBondContact OG1-NE1 3.31Å; T205-W225 VanDerWaalsContact OG1-NE1 3.16Å |
| 206 | W | 98.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.011 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 136.6 | 179.3 | -59.1 | -96.8 | 0 | 0 | 0 | 110.5 | W104 I105 A107 T204 V208 R221 E261 I263 A267 | W104-W206 WeakPolarHBondContact CA-O 3.3Å; I105-W206 HydrophobicContact CB-CE3 4.46Å; I105-W206 HydrophobicContact CG2-CE3 4.13Å; I105-W206 PolarHBondContact N-O 3.46Å; I105-W206 PolarHBondContact O-N 3.41Å; A107-W206 HydrophobicContact CB-CH2 4.03Å; A107-W206 HydrophobicContact CB-CZ3 3.73Å; T204-W206 HydrophobicContact CG2-CD2 4.02Å; T204-W206 VanDerWaalsContact CG2-CE2 3.47Å; T204-W206 HydrophobicContact CG2-CE3 4.34Å; T204-W206 HydrophobicContact CG2-CH2 3.68Å; T204-W206 HydrophobicContact CG2-CZ2 3.29Å; T204-W206 HydrophobicContact CG2-CZ3 4.19Å; T204-W206 WeakPolarHBondContact O-CZ3 3.41Å; W206-V208 HydrophobicContact CB-CG2 3.38Å; W206-R221 WeakPolarHBondContact CA-O 3.41Å; W206-E261 PolarHBondContact NE1-O 3.15Å; W206-E261 VanDerWaalsContact NE1-O 3.09Å; W206-I263 HydrophobicContact CB-CD1 4.44Å; W206-I263 HydrophobicContact CB-CG1 4.43Å; W206-I263 HydrophobicContact CD2-CG1 3.89Å; W206-I263 HydrophobicContact CD2-CG2 4.49Å; W206-I263 HydrophobicContact CE3-CG1 4.45Å; W206-I263 HydrophobicContact CE3-CG2 4.32Å; W206-I263 HydrophobicContact CG-CD1 4.4Å; W206-I263 HydrophobicContact CG-CG1 3.87Å; W206-I263 HydrophobicContact CH2-CG2 4.36Å; W206-I263 HydrophobicContact CZ3-CG2 4.26Å; W206-A267 HydrophobicContact CZ3-CB 4.4Å |
| 207 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 120.4 | 160.6 | -175.5 | 60.5 | 0 | 0 | 0 | 107.8 | V54 A87 L89 W104 V170 L220 R221 | V54-L207 HydrophobicContact CG1-CD2 4.39Å; V54-L207 HydrophobicContact CG2-CD2 4.09Å; A87-L207 HydrophobicContact CB-CD1 4.26Å; A87-L207 HydrophobicContact CB-CD2 3.53Å; L89-L207 HydrophobicContact CD2-CD2 3.98Å; W104-L207 HydrophobicContact CD2-CD1 4.14Å; W104-L207 HydrophobicContact CE3-CB 3.98Å; W104-L207 HydrophobicContact CE3-CD1 4.13Å; W104-L207 HydrophobicContact CH2-CB 4.06Å; W104-L207 HydrophobicContact CH2-CD1 4.02Å; W104-L207 HydrophobicContact CH2-CD2 4.27Å; W104-L207 HydrophobicContact CH2-CG 4.34Å; W104-L207 HydrophobicContact CZ2-CD1 4.01Å; W104-L207 HydrophobicContact CZ3-CB 3.57Å; W104-L207 HydrophobicContact CZ3-CD1 4.09Å; W104-L207 HydrophobicContact CZ3-CG 4.28Å; V170-L207 HydrophobicContact CG2-CD1 3.7Å; L207-L220 HydrophobicContact CB-CB 4.35Å; L207-L220 HydrophobicContact CD2-CB 4.28Å; L207-L220 HydrophobicContact CD2-CD1 4.46Å; L207-L220 HydrophobicContact CG-CB 4.15Å; L207-L220 HydrophobicContact CG-CD1 4.16Å; L207-L220 WeakPolarHBondContact O-CB 3.46Å; L207-L220 PolarHBondContact O-N 2.66Å; L207-R221 HydrophobicContact CB-CB 4.11Å; L207-R221 PolarHBondContact N-O 3.18Å; L207-R221 PolarHBondContact O-N 2.71Å |
| 208 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 141.8 | -165 | -171.6 | 0 | 0 | 0 | 0 | 110.6 | I102 G103 I105 W148 W206 I210 T217 V218 I263 | I102-V208 CarbonylContact C-O 3.56Å; I102-V208 WeakPolarHBondContact CA-O 3.3Å; I102-V208 WeakPolarHBondContact CG2-O 3.34Å; G103-V208 PolarHBondContact N-O 3.08Å; G103-V208 PolarHBondContact O-N 3.13Å; I105-V208 HydrophobicContact CB-CG2 4.41Å; I105-V208 HydrophobicContact CD1-CB 4.03Å; I105-V208 HydrophobicContact CD1-CG1 4.13Å; I105-V208 HydrophobicContact CD1-CG2 3.9Å; I105-V208 HydrophobicContact CG1-CB 4.45Å; I105-V208 HydrophobicContact CG1-CG2 4.2Å; W148-V208 HydrophobicContact CZ3-CB 4.47Å; W206-V208 HydrophobicContact CB-CG2 3.38Å; V208-I210 HydrophobicContact CG1-CD1 4.31Å; V208-I210 HydrophobicContact CG1-CG1 3.83Å; V208-T217 HydrophobicContact CG1-CG2 3.58Å; V208-V218 CarbonylContact C-O 3.59Å; V208-V218 WeakPolarHBondContact CA-O 3.14Å; V208-V218 WeakPolarHBondContact CG1-O 3.31Å; V208-I263 HydrophobicContact CG1-CD1 4.12Å; V208-I263 HydrophobicContact CG2-CD1 3.69Å |
| 209 | A | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110 | F48 W100 T101 I102 V218 L220 | F48-A209 HydrophobicContact CE1-CB 4Å; W100-A209 HydrophobicContact CE3-CB 4.08Å; W100-A209 HydrophobicContact CZ3-CB 4.36Å; T101-A209 CarbonylContact O-C 3.53Å; T101-A209 WeakPolarHBondContact O-CA 3.5Å; I102-A209 HydrophobicContact CB-CB 4.46Å; I102-A209 HydrophobicContact CG1-CB 3.82Å; I102-A209 HydrophobicContact CG2-CB 4.21Å; A209-V218 HydrophobicContact CB-CB 4.37Å; A209-V218 PolarHBondContact N-O 3.43Å; A209-V218 PolarHBondContact O-N 3.32Å; A209-L220 HydrophobicContact CB-CD1 4.46Å |
| 210 | I | 97.4 | Very high | 97 | Very high | 21 Ų | 21 | 31.9 Ų | 31.9 | 11% | 0.108 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126.3 | 178.5 | -58.1 | -178.4 | 0 | 0 | 0 | 109.5 | W100 T101 I105 P147 W148 V208 E216 T217 M268 | W100-I210 WeakPolarHBondContact CA-O 3.37Å; W100-I210 VanDerWaalsContact CE3-C 3.44Å; T101-I210 PolarHBondContact N-O 3.12Å; T101-I210 PolarHBondContact O-N 2.84Å; I105-I210 HydrophobicContact CD1-CD1 4.13Å; P147-I210 HydrophobicContact CG-CD1 3.89Å; W148-I210 HydrophobicContact CH2-CB 4.09Å; W148-I210 HydrophobicContact CH2-CD1 3.69Å; W148-I210 HydrophobicContact CH2-CG1 3.73Å; W148-I210 HydrophobicContact CZ2-CB 4.01Å; W148-I210 HydrophobicContact CZ2-CD1 3.71Å; W148-I210 HydrophobicContact CZ2-CG1 3.99Å; W148-I210 HydrophobicContact CZ3-CD1 4.49Å; V208-I210 HydrophobicContact CG1-CD1 4.31Å; V208-I210 HydrophobicContact CG1-CG1 3.83Å; I210-E216 CarbonylContact C-O 3.57Å; I210-E216 VanDerWaalsContact CA-O 3.28Å; I210-E216 WeakPolarHBondContact CA-O 3.32Å; I210-T217 HydrophobicContact CG1-CG2 4.17Å; I210-M268 HydrophobicContact CD1-CE 3.87Å |
| 211 | N | 96.4 | Very high | 97 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.7 | 169.2 | -172.9 | -60.7 | 0 | 0 | 0 | 109.3 | W100 A213 T214 S215 E216 | W100-N211 HydrophobicContact CD2-CB 3.95Å; W100-N211 HydrophobicContact CE3-CB 3.9Å; W100-N211 VanDerWaalsContact CE3-N 3.28Å; W100-N211 HydrophobicContact CH2-CB 3.74Å; W100-N211 HydrophobicContact CZ2-CB 3.77Å; W100-N211 WeakPolarHBondContact CZ2-ND2 3.34Å; W100-N211 HydrophobicContact CZ3-CB 3.8Å; W100-N211 PolarHBondContact NE1-ND2 2.92Å; N211-A213 VanDerWaalsContact C-N 3.3Å; N211-A213 PolarHBondContact O-N 3.41Å; N211-A213 PolarHBondContact OD1-N 2.76Å; N211-T214 VanDerWaalsContact CB-OG1 3.27Å; N211-T214 WeakPolarHBondContact CB-OG1 3.42Å; N211-T214 VanDerWaalsContact CG-OG1 3.23Å; N211-T214 PolarHBondContact OD1-N 2.87Å; N211-T214 PolarHBondContact OD1-OG1 2.83Å; N211-S215 WeakPolarHBondContact O-CA 3.22Å; N211-S215 PolarHBondContact O-N 2.91Å; N211-E216 HydrophobicContact CB-CB 4.04Å; N211-E216 PolarHBondContact N-O 2.94Å |
| 212 | Q | 95.1 | Very high | 97.1 | Very high | 110 Ų | 110 | 35.1 Ų | 35.1 | 51% | 0.514 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -25.4 | -174.8 | -65.5 | -170.2 | -15.2 | 0 | 0 | 113.6 | T99 T101 | T99-Q212 HydrophobicContact CG2-CB 4.49Å; T99-Q212 VanDerWaalsContact CG2-CD 3.45Å; T99-Q212 HydrophobicContact CG2-CG 4.03Å; T99-Q212 PolarHBondContact O-N 2.9Å; T101-Q212 PolarHBondContact OG1-NE2 3.46Å |
| 213 | A | 94.3 | Very high | 97.1 | Very high | 81 Ų | 81 | 33.7 Ų | 33.7 | 67% | 0.669 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -39.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N211 | N211-A213 VanDerWaalsContact C-N 3.3Å; N211-A213 PolarHBondContact O-N 3.41Å; N211-A213 PolarHBondContact OD1-N 2.76Å |
| 214 | T | 94.3 | Very high | 97.1 | Very high | 91 Ų | 91 | 38.6 Ų | 38.6 | 56% | 0.558 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -10.1 | -174.6 | 64.9 | 0 | 0 | 0 | 0 | 113.8 | N211 E216 | N211-T214 VanDerWaalsContact CB-OG1 3.27Å; N211-T214 WeakPolarHBondContact CB-OG1 3.42Å; N211-T214 VanDerWaalsContact CG-OG1 3.23Å; N211-T214 PolarHBondContact OD1-N 2.87Å; N211-T214 PolarHBondContact OD1-OG1 2.83Å; T214-E216 PolarHBondContact O-N 3.34Å; T214-E216 VanDerWaalsContact O-N 3.11Å; T214-E216 WeakPolarHBondContact OG1-CB 3.35Å; T214-E216 PolarHBondContact OG1-N 2.96Å |
| 215 | S | 93.9 | Very high | 97.1 | Very high | 87 Ų | 87 | 38.8 Ų | 38.8 | 61% | 0.608 | 21% | 0.21 | S | C | * | . | trans | 57.5 | 16.1 | -169.3 | -51.7 | 0 | 0 | 0 | 0 | 114 | N211 T217 | N211-S215 WeakPolarHBondContact O-CA 3.22Å; N211-S215 PolarHBondContact O-N 2.91Å; S215-T217 PolarHBondContact O-N 3.38Å; S215-T217 PolarHBondContact O-OG1 3.34Å; S215-T217 VanDerWaalsContact O-OG1 3.1Å | ||
| 216 | E | 94.7 | Very high | 97.1 | Very high | 83 Ų | 83 | 42.9 Ų | 42.9 | 39% | 0.388 | 23% | 0.225 | S | C | . | . | trans | -57.6 | 123.6 | 172.6 | -176.9 | -177.1 | 175.5 | 0 | 0 | 109.1 | W100 I210 N211 T214 | W100-E216 HydrophobicContact CH2-CB 4.17Å; W100-E216 HydrophobicContact CH2-CG 4.06Å; I210-E216 CarbonylContact C-O 3.57Å; I210-E216 VanDerWaalsContact CA-O 3.28Å; I210-E216 WeakPolarHBondContact CA-O 3.32Å; N211-E216 HydrophobicContact CB-CB 4.04Å; N211-E216 PolarHBondContact N-O 2.94Å; T214-E216 PolarHBondContact O-N 3.34Å; T214-E216 VanDerWaalsContact O-N 3.11Å; T214-E216 WeakPolarHBondContact OG1-CB 3.35Å; T214-E216 PolarHBondContact OG1-N 2.96Å | ||
| 217 | T | 95.9 | Very high | 97 | Very high | 63 Ų | 63 | 42.8 Ų | 42.8 | 39% | 0.387 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.9 | -174.3 | -61.5 | 0 | 0 | 0 | 0 | 110.1 | V208 I210 S215 I263 M268 | V208-T217 HydrophobicContact CG1-CG2 3.58Å; I210-T217 HydrophobicContact CG1-CG2 4.17Å; S215-T217 PolarHBondContact O-N 3.38Å; S215-T217 PolarHBondContact O-OG1 3.34Å; S215-T217 VanDerWaalsContact O-OG1 3.1Å; T217-I263 HydrophobicContact CG2-CD1 4.16Å; T217-M268 HydrophobicContact CG2-CE 4.4Å |
| 218 | V | 96.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 114.1 | -179.6 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | R49 W100 V208 A209 L220 | R49-V218 HydrophobicContact CB-CG1 3.99Å; R49-V218 HydrophobicContact CB-CG2 3.72Å; R49-V218 HydrophobicContact CG-CG1 3.72Å; R49-V218 HydrophobicContact CG-CG2 4.18Å; W100-V218 HydrophobicContact CH2-CG2 4.49Å; W100-V218 HydrophobicContact CZ3-CG2 4.29Å; V208-V218 CarbonylContact C-O 3.59Å; V208-V218 WeakPolarHBondContact CA-O 3.14Å; V208-V218 WeakPolarHBondContact CG1-O 3.31Å; A209-V218 HydrophobicContact CB-CB 4.37Å; A209-V218 PolarHBondContact N-O 3.43Å; A209-V218 PolarHBondContact O-N 3.32Å; V218-L220 HydrophobicContact CG1-CD2 3.94Å; V218-L220 PolarHBondContact O-N 3.29Å |
| 219 | V | 97.8 | Very high | 96.8 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 22% | 0.218 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 115.6 | 171.9 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | N260 I263 | V219-N260 HydrophobicContact CB-CB 4.47Å; V219-N260 HydrophobicContact CG1-CB 3.81Å; V219-N260 PolarHBondContact O-ND2 3.15Å; V219-I263 HydrophobicContact CG2-CD1 3.97Å; V219-I263 HydrophobicContact CG2-CG1 3.85Å |
| 220 | L | 97.8 | Very high | 96.8 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 6% | 0.063 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -45.8 | 179.7 | -57.7 | 175.2 | 0 | 0 | 0 | 110.9 | V52 V54 L89 I102 L207 A209 V218 N260 | V52-L220 HydrophobicContact CB-CD2 4.03Å; V52-L220 HydrophobicContact CG1-CD1 3.81Å; V52-L220 HydrophobicContact CG1-CD2 3.97Å; V54-L220 HydrophobicContact CG2-CB 4.02Å; L89-L220 HydrophobicContact CD2-CD1 4.05Å; I102-L220 HydrophobicContact CG2-CD1 3.93Å; L207-L220 HydrophobicContact CB-CB 4.35Å; L207-L220 HydrophobicContact CD2-CB 4.28Å; L207-L220 HydrophobicContact CD2-CD1 4.46Å; L207-L220 HydrophobicContact CG-CB 4.15Å; L207-L220 HydrophobicContact CG-CD1 4.16Å; L207-L220 WeakPolarHBondContact O-CB 3.46Å; L207-L220 PolarHBondContact O-N 2.66Å; A209-L220 HydrophobicContact CB-CD1 4.46Å; V218-L220 HydrophobicContact CG1-CD2 3.94Å; V218-L220 PolarHBondContact O-N 3.29Å; L220-N260 PolarHBondContact O-ND2 3.25Å |
| 221 | R | 98.2 | Very high | 96.9 | Very high | 102 Ų | 102 | 48.6 Ų | 48.6 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 150 | 179.1 | -71.1 | -70.5 | 179.5 | -101 | 7.2 | 111.8 | V54 L57 W206 L207 N260 | V54-R221 HydrophobicContact CG2-CG 4.23Å; L57-R221 HydrophobicContact CD2-CB 3.88Å; L57-R221 HydrophobicContact CD2-CG 3.72Å; W206-R221 WeakPolarHBondContact CA-O 3.41Å; L207-R221 HydrophobicContact CB-CB 4.11Å; L207-R221 PolarHBondContact N-O 3.18Å; L207-R221 PolarHBondContact O-N 2.71Å; R221-N260 VanDerWaalsContact CA-OD1 3.26Å; R221-N260 WeakPolarHBondContact CA-OD1 3.13Å |
| 222 | T | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134.6 | 173 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | T204 L257 N260 E261 | T204-T222 HydrophobicContact CG2-CG2 3.6Å; T222-L257 HydrophobicContact CG2-CD1 3.62Å; T222-L257 HydrophobicContact CG2-CG 4.15Å; T222-L257 PolarHBondContact O-N 3.04Å; T222-N260 PolarHBondContact N-OD1 2.79Å; T222-N260 WeakPolarHBondContact OG1-CA 3.37Å; T222-E261 HydrophobicContact CG2-CB 4.25Å; T222-E261 PolarHBondContact OG1-N 3.44Å; T222-E261 VanDerWaalsContact OG1-N 3.08Å |
| 223 | I | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137.7 | 178.5 | -54.7 | 170.2 | 0 | 0 | 0 | 108.1 | L57 T59 F83 A85 W104 T204 T205 P254 Q255 I256 | L57-I223 HydrophobicContact CD1-CD1 4.27Å; T59-I223 HydrophobicContact CG2-CD1 4.4Å; T59-I223 HydrophobicContact CG2-CG2 4.17Å; F83-I223 HydrophobicContact CE2-CG2 4.3Å; F83-I223 HydrophobicContact CZ-CG2 4.26Å; A85-I223 HydrophobicContact CB-CD1 4.04Å; W104-I223 HydrophobicContact CH2-CD1 4.26Å; W104-I223 HydrophobicContact CZ3-CD1 3.88Å; T204-I223 WeakPolarHBondContact CA-O 3.39Å; T205-I223 PolarHBondContact N-O 2.79Å; T205-I223 PolarHBondContact O-N 2.65Å; I223-P254 HydrophobicContact CG2-CB 3.99Å; I223-Q255 CarbonylContact C-O 3.51Å; I223-Q255 WeakPolarHBondContact CA-O 3.37Å; I223-I256 HydrophobicContact CG1-CG1 4.37Å |
| 224 | R | 98.7 | Very high | 97.3 | Very high | 108 Ų | 108 | 47.3 Ų | 47.3 | 41% | 0.408 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 139 | 169.1 | -73.8 | -173.5 | 175.2 | 167.7 | -0.9 | 110.4 | F203 P254 Q255 L257 E261 | F203-R224 WeakPolarHBondContact O-CA 3.22Å; R224-P254 WeakPolarHBondContact O-CA 3.02Å; R224-Q255 PolarHBondContact N-O 2.75Å; R224-Q255 PolarHBondContact O-N 2.88Å; R224-L257 HydrophobicContact CG-CD1 4.25Å; R224-L257 HydrophobicContact CG-CD2 4.25Å; R224-L257 HydrophobicContact CG-CG 4.48Å; R224-E261 IonicContact CZ-OE1 3.28Å; R224-E261 IonicContact CZ-OE2 3.42Å; R224-E261 IonicContact NE-OE2 2.69Å; R224-E261 IonicContact NH2-OE1 2.8Å; R224-E261 PolarHBondContact NH2-OE1 3.48Å; R224-E261 IonicContact NH2-OE2 2.67Å; R224-E261 PolarHBondContact NH2-OE2 2.9Å |
| 225 | W | 98.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 3% | 0.03 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 157.8 | 175.2 | 69.2 | -84.4 | 0 | 0 | 0 | 110.8 | I61 F83 D174 F176 F203 T205 M227 P254 | I61-W225 HydrophobicContact CD1-CE3 4.24Å; F83-W225 HydrophobicContact CB-CD2 4.11Å; F83-W225 HydrophobicContact CB-CE3 3.96Å; F83-W225 HydrophobicContact CB-CH2 4.05Å; F83-W225 HydrophobicContact CB-CZ2 4.19Å; F83-W225 HydrophobicContact CB-CZ3 3.92Å; F83-W225 HydrophobicContact CD1-CD2 4.16Å; F83-W225 AromaticContact CD1-CE2 3.65Å; F83-W225 HydrophobicContact CD1-CG 4.48Å; F83-W225 AromaticContact CD1-CZ2 3.91Å; F83-W225 HydrophobicContact CD1-CZ2 3.91Å; F83-W225 AromaticContact CD1-NE1 3.67Å; F83-W225 HydrophobicContact CD2-CB 4.09Å; F83-W225 AromaticContact CD2-CD2 3.86Å; F83-W225 HydrophobicContact CD2-CD2 3.86Å; F83-W225 HydrophobicContact CD2-CE3 4.33Å; F83-W225 AromaticContact CD2-CG 3.75Å; F83-W225 HydrophobicContact CD2-CG 3.75Å; F83-W225 AromaticContact CE1-CD1 3.88Å; F83-W225 HydrophobicContact CE1-CG 4.5Å; F83-W225 AromaticContact CE1-NE1 3.53Å; F83-W225 HydrophobicContact CE2-CB 4.03Å; F83-W225 AromaticContact CE2-CD1 3.66Å; F83-W225 HydrophobicContact CE2-CD2 4.29Å; F83-W225 AromaticContact CE2-CG 3.75Å; F83-W225 HydrophobicContact CE2-CG 3.75Å; F83-W225 AromaticContact CG-CD2 3.77Å; F83-W225 HydrophobicContact CG-CD2 3.77Å; F83-W225 AromaticContact CG-CE2 3.75Å; F83-W225 HydrophobicContact CG-CE3 4.13Å; F83-W225 HydrophobicContact CG-CG 4.12Å; F83-W225 HydrophobicContact CG-CH2 4.46Å; F83-W225 HydrophobicContact CG-CZ2 4.12Å; F83-W225 HydrophobicContact CG-CZ3 4.46Å; F83-W225 AromaticContact CZ-CD1 3.59Å; F83-W225 HydrophobicContact CZ-CG 4.15Å; F83-W225 AromaticContact CZ-NE1 3.77Å; D174-W225 HydrophobicContact CB-CH2 4.26Å; D174-W225 HydrophobicContact CB-CZ2 4.18Å; D174-W225 WeakPolarHBondContact OD2-CH2 3.5Å; D174-W225 VanDerWaalsContact OD2-CZ2 3.28Å; D174-W225 WeakPolarHBondContact OD2-CZ2 3.36Å; F176-W225 HydrophobicContact CZ-CH2 4.26Å; F203-W225 HydrophobicContact CB-CD2 4.08Å; F203-W225 HydrophobicContact CB-CG 4.23Å; F203-W225 HydrophobicContact CB-CZ2 3.96Å; F203-W225 VanDerWaalsContact CB-NE1 3.35Å; F203-W225 HydrophobicContact CD1-CZ2 4.22Å; F203-W225 HydrophobicContact CD2-CD2 4Å; F203-W225 AromaticContact CD2-CE2 3.73Å; F203-W225 HydrophobicContact CD2-CE3 4.07Å; F203-W225 AromaticContact CD2-CH2 3.63Å; F203-W225 HydrophobicContact CD2-CH2 3.63Å; F203-W225 AromaticContact CD2-CZ2 3.55Å; F203-W225 HydrophobicContact CD2-CZ2 3.55Å; F203-W225 AromaticContact CD2-CZ3 3.9Å; F203-W225 HydrophobicContact CD2-CZ3 3.9Å; F203-W225 AromaticContact CE2-CH2 3.81Å; F203-W225 HydrophobicContact CE2-CH2 3.81Å; F203-W225 HydrophobicContact CE2-CZ2 4.11Å; F203-W225 HydrophobicContact CE2-CZ3 4.15Å; F203-W225 HydrophobicContact CG-CD2 4.35Å; F203-W225 AromaticContact CG-CE2 3.72Å; F203-W225 HydrophobicContact CG-CH2 4.19Å; F203-W225 AromaticContact CG-CZ2 3.63Å; F203-W225 HydrophobicContact CG-CZ2 3.63Å; F203-W225 HydrophobicContact CZ-CH2 4.47Å; F203-W225 PolarHBondContact N-O 2.97Å; F203-W225 PolarHBondContact O-N 2.86Å; F203-W225 VanDerWaalsContact O-N 3.11Å; T205-W225 PolarHBondContact OG1-NE1 3.31Å; T205-W225 VanDerWaalsContact OG1-NE1 3.16Å; W225-M227 HydrophobicContact CZ3-CB 4.22Å; W225-M227 HydrophobicContact CZ3-CE 4.18Å; W225-P254 HydrophobicContact CB-CB 3.81Å |
| 226 | R | 98.1 | Very high | 97.5 | Very high | 85 Ų | 85 | 48 Ų | 48 | 32% | 0.321 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 142.9 | -176 | -174.6 | -177.1 | -175.4 | 173.8 | 10.4 | 109.1 | D200 Q201 S202 R228 | D200-R226 IonicContact OD1-CZ 2.67Å; D200-R226 VanDerWaalsContact OD1-CZ 3.28Å; D200-R226 IonicContact OD1-NE 3.51Å; D200-R226 PolarHBondContact OD1-NE 2.88Å; D200-R226 IonicContact OD1-NH2 2.7Å; D200-R226 PolarHBondContact OD1-NH2 2.83Å; D200-R226 VanDerWaalsContact OD1-NH2 3.08Å; D200-R226 IonicContact OD2-CZ 3.08Å; D200-R226 IonicContact OD2-NE 3.18Å; D200-R226 IonicContact OD2-NH2 3.44Å; D200-R226 PolarHBondContact OD2-NH2 3.01Å; Q201-R226 CarbonylContact O-C 3.52Å; Q201-R226 VanDerWaalsContact O-CA 3.26Å; Q201-R226 WeakPolarHBondContact O-CA 3.41Å; Q201-R226 VanDerWaalsContact O-CG 3.26Å; Q201-R226 WeakPolarHBondContact O-CG 3.44Å; S202-R226 WeakPolarHBondContact OG-CG 3.36Å; R226-R228 HydrophobicContact CG-CG 4.31Å |
| 227 | M | 97.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.7 | 172.9 | -174.1 | 68.8 | 63.3 | 0 | 0 | 108.8 | T80 F176 D200 Q201 W225 Q251 | T80-M227 HydrophobicContact CG2-CG 4.18Å; T80-M227 HydrophobicContact CG2-SD 4.05Å; F176-M227 HydrophobicContact CD2-CB 4.3Å; F176-M227 HydrophobicContact CD2-CG 3.77Å; F176-M227 HydrophobicContact CE2-CB 3.63Å; F176-M227 HydrophobicContact CE2-CG 3.63Å; D200-M227 WeakPolarHBondContact CA-O 3.36Å; Q201-M227 PolarHBondContact N-O 3.3Å; Q201-M227 PolarHBondContact O-N 2.93Å; W225-M227 HydrophobicContact CZ3-CB 4.22Å; W225-M227 HydrophobicContact CZ3-CE 4.18Å; M227-Q251 HydrophobicContact CE-CG 4.25Å; M227-Q251 HydrophobicContact SD-CG 3.54Å; M227-Q251 VanDerWaalsContact SD-CG 3.54Å; M227-Q251 PolarHBondContact SD-OE1 3.33Å |
| 228 | R | 97 | Very high | 97.7 | Very high | 76 Ų | 76 | 49.1 Ų | 49.1 | 29% | 0.287 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 147.4 | 172.8 | -69.5 | -179.2 | -64.5 | -170.8 | -2.1 | 110.1 | R199 D200 R226 P248 Q251 E252 | R199-R228 CarbonylContact O-C 3.52Å; R199-R228 VanDerWaalsContact O-CA 3.27Å; R199-R228 WeakPolarHBondContact O-CA 3.38Å; D200-R228 HydrophobicContact CB-CG 4.3Å; R226-R228 HydrophobicContact CG-CG 4.31Å; R228-P248 HydrophobicContact CB-CG 4.13Å; R228-P248 WeakPolarHBondContact O-CD 3.45Å; R228-Q251 PolarHBondContact O-NE2 2.85Å; R228-Q251 PolarHBondContact O-OE1 3.28Å; R228-E252 IonicContact CZ-OE1 2.66Å; R228-E252 IonicContact NH2-OE1 3.08Å; R228-E252 PolarHBondContact NH2-OE1 2.95Å; R228-E252 IonicContact NH2-OE2 2.71Å |
| 229 | L | 96.4 | Very high | 97.7 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 148.4 | 166.3 | 68.8 | 102.8 | 0 | 0 | 0 | 110.9 | Y78 T80 I197 Q198 R199 I231 L245 E247 | Y78-L229 HydrophobicContact CD2-CD2 4.12Å; Y78-L229 HydrophobicContact CE2-CD1 4.3Å; Y78-L229 HydrophobicContact CE2-CD2 3.4Å; Y78-L229 VanDerWaalsContact CE2-CD2 3.4Å; T80-L229 HydrophobicContact CG2-CD2 3.79Å; I197-L229 HydrophobicContact CG2-CD1 4.08Å; Q198-L229 WeakPolarHBondContact CA-O 3.33Å; R199-L229 HydrophobicContact CB-CD1 4.34Å; R199-L229 HydrophobicContact CB-CD2 3.84Å; R199-L229 HydrophobicContact CB-CG 3.74Å; R199-L229 PolarHBondContact N-O 3.33Å; R199-L229 PolarHBondContact O-N 2.75Å; L229-I231 HydrophobicContact CD1-CD1 3.76Å; L229-I231 HydrophobicContact CD1-CG1 3.78Å; L229-L245 HydrophobicContact CB-CD1 4.36Å; L229-E247 CarbonylContact C-O 3.48Å; L229-E247 WeakPolarHBondContact CA-O 3.22Å |
| 230 | H | 98.1 | Very high | 97.6 | Very high | 61 Ų | 61 | 53 Ų | 53 | 28% | 0.282 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 113.9 | 168.1 | -179.8 | -161.1 | 0 | 0 | 0 | 108.4 | S196 I197 K246 E247 | S196-H230 PolarHBondContact OG-CD2 3.41Å; S196-H230 PolarHBondContact OG-NE2 3.34Å; S196-H230 VanDerWaalsContact OG-NE2 3.12Å; I197-H230 CarbonylContact O-C 3.49Å; I197-H230 WeakPolarHBondContact O-CA 3.46Å; H230-K246 PolarHBondContact O-N 3.25Å; H230-E247 PolarHBondContact N-O 2.98Å |
| 231 | I | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 121.4 | 172.6 | -59.4 | 168.2 | 0 | 0 | 0 | 107 | I68 Y78 S196 I197 L229 V233 A243 V244 L245 | I68-I231 HydrophobicContact CD1-CD1 4.1Å; I68-I231 HydrophobicContact CD1-CG1 4.04Å; I68-I231 HydrophobicContact CD1-CG2 3.85Å; I68-I231 HydrophobicContact CG1-CD1 4.1Å; Y78-I231 HydrophobicContact CD1-CD1 3.78Å; Y78-I231 HydrophobicContact CE1-CD1 4.4Å; Y78-I231 HydrophobicContact CG-CD1 3.86Å; S196-I231 CarbonylContact C-O 3.59Å; S196-I231 VanDerWaalsContact CA-O 3.32Å; S196-I231 WeakPolarHBondContact CA-O 3.3Å; I197-I231 HydrophobicContact CB-CB 4.21Å; I197-I231 HydrophobicContact CD1-CD1 4.36Å; I197-I231 PolarHBondContact N-O 3.06Å; I197-I231 PolarHBondContact O-N 2.8Å; L229-I231 HydrophobicContact CD1-CD1 3.76Å; L229-I231 HydrophobicContact CD1-CG1 3.78Å; I231-V233 HydrophobicContact CG2-CG2 4.04Å; I231-A243 HydrophobicContact CG2-CB 3.86Å; I231-V244 WeakPolarHBondContact CA-O 3.49Å; I231-L245 HydrophobicContact CG1-CD1 4.2Å |
| 232 | Q | 98.4 | Very high | 97.6 | Very high | 99 Ų | 99 | 55.5 Ų | 55.5 | 46% | 0.463 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 138.3 | 168.5 | -173.2 | 175.7 | 13.3 | 0 | 0 | 108.6 | A243 V244 K246 | Q232-A243 CarbonylContact O-C 3.54Å; Q232-A243 VanDerWaalsContact O-CA 3.32Å; Q232-A243 WeakPolarHBondContact O-CA 3.43Å; Q232-V244 PolarHBondContact N-O 2.84Å; Q232-V244 PolarHBondContact O-N 2.9Å; Q232-K246 HydrophobicContact CB-CG 4Å |
| 233 | V | 98.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.1 | 179.5 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | L76 W182 L194 S195 I231 R242 A243 | L76-V233 HydrophobicContact CD1-CG2 4.14Å; W182-V233 HydrophobicContact CE3-CG1 4.39Å; W182-V233 HydrophobicContact CZ3-CG1 3.82Å; L194-V233 HydrophobicContact CD2-CG2 4.11Å; L194-V233 HydrophobicContact CG-CB 4.4Å; L194-V233 HydrophobicContact CG-CG1 4.49Å; L194-V233 HydrophobicContact CG-CG2 4.15Å; L194-V233 WeakPolarHBondContact O-CB 3.33Å; L194-V233 WeakPolarHBondContact O-CG1 3.14Å; S195-V233 CarbonylContact C-O 3.52Å; S195-V233 VanDerWaalsContact CA-O 3.3Å; S195-V233 WeakPolarHBondContact CA-O 3.44Å; S195-V233 PolarHBondContact O-N 2.8Å; S195-V233 VanDerWaalsContact O-O 3.1Å; I231-V233 HydrophobicContact CG2-CG2 4.04Å; V233-R242 CarbonylContact C-O 3.59Å; V233-R242 WeakPolarHBondContact CA-O 3.32Å; V233-R242 HydrophobicContact CG1-CB 3.96Å; V233-A243 HydrophobicContact CG2-CB 4.13Å |
| 234 | D | 98.1 | Very high | 97.5 | Very high | 64 Ų | 64 | 59.5 Ų | 59.5 | 34% | 0.342 | 30% | 0.298 | S | S | . | . | trans | -108 | 100.6 | 170.9 | -174.5 | -9.8 | 0 | 0 | 0 | 109 | E236 K237 R242 | D234-E236 PolarHBondContact O-N 2.82Å; D234-E236 PolarHBondContact OD1-N 2.84Å; D234-K237 HydrophobicContact CB-CD 4.04Å; D234-K237 HydrophobicContact CB-CG 4.12Å; D234-K237 PolarHBondContact O-N 2.93Å; D234-K237 VanDerWaalsContact OD2-CE 3.29Å; D234-K237 WeakPolarHBondContact OD2-CE 3.32Å; D234-R242 PolarHBondContact N-O 3.18Å; D234-R242 WeakPolarHBondContact O-CB 3.42Å; D234-R242 WeakPolarHBondContact O-CG 3.38Å | ||
| 235 | P | 96.4 | Very high | 97.4 | Very high | 24 Ų | 24 | 56 Ų | 56 | 16% | 0.156 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18.9 | -174.6 | 26.6 | -33.7 | 0 | 0 | 0 | 113.8 | P192 K237 R242 | P192-P235 HydrophobicContact CB-CB 4.21Å; P192-P235 WeakPolarHBondContact O-CB 3.42Å; P235-K237 VanDerWaalsContact C-N 3.3Å; P235-R242 PolarHBondContact O-NE 2.86Å; P235-R242 PolarHBondContact O-NH2 2.86Å |
| 236 | E | 96.4 | Very high | 97.3 | Very high | 168 Ų | 168 | 60 Ų | 60 | 79% | 0.785 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -17.8 | 179.6 | -59.1 | -57.2 | 136.8 | 0 | 0 | 112.4 | D234 | D234-E236 PolarHBondContact O-N 2.82Å; D234-E236 PolarHBondContact OD1-N 2.84Å |
| 237 | K | 97.4 | Very high | 96.9 | Very high | 89 Ų | 89 | 62.8 Ų | 62.8 | 39% | 0.387 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -74.6 | 153.6 | 176.1 | -72.5 | -175.7 | -177.1 | 178.8 | 0 | 111.9 | D234 P235 Q241 R242 | D234-K237 HydrophobicContact CB-CD 4.04Å; D234-K237 HydrophobicContact CB-CG 4.12Å; D234-K237 PolarHBondContact O-N 2.93Å; D234-K237 VanDerWaalsContact OD2-CE 3.29Å; D234-K237 WeakPolarHBondContact OD2-CE 3.32Å; P235-K237 VanDerWaalsContact C-N 3.3Å; K237-Q241 WeakPolarHBondContact CD-O 3.35Å; K237-R242 HydrophobicContact CB-CG 4.15Å; K237-R242 WeakPolarHBondContact O-CG 3.46Å; K237-R242 PolarHBondContact O-NE 2.79Å |
| 238 | P | 96.3 | Very high | 96.6 | Very high | 82 Ų | 82 | 64.1 Ų | 64.1 | 53% | 0.532 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 149.1 | 170.2 | -23 | 33.8 | 0 | 0 | 0 | 111.7 | G240 Q241 R242 | P238-G240 PolarHBondContact O-N 2.8Å; P238-Q241 PolarHBondContact O-N 3.35Å; P238-Q241 VanDerWaalsContact O-N 3.08Å; P238-R242 WeakPolarHBondContact O-CG 3.28Å |
| 239 | L | 95.8 | Very high | 96.1 | Very high | 71 Ų | 71 | 65.1 Ų | 65.1 | 37% | 0.372 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 135.3 | 172.5 | -169.1 | 71 | 0 | 0 | 0 | 110.2 | E70 W182 | E70-L239 HydrophobicContact CB-CD1 4.29Å; E70-L239 WeakPolarHBondContact O-CD1 3.45Å; E70-L239 WeakPolarHBondContact O-CD2 3.16Å; E70-L239 WeakPolarHBondContact O-CG 3.37Å; W182-L239 HydrophobicContact CZ2-CD1 3.69Å |
| 240 | G | 96.4 | Very high | 96 | Very high | 51 Ų | 51 | 68.2 Ų | 68.2 | 53% | 0.526 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | -5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E70 P238 | E70-G240 WeakPolarHBondContact OE2-CA 3.4Å; E70-G240 PolarHBondContact OE2-N 2.85Å; P238-G240 PolarHBondContact O-N 2.8Å |
| 241 | Q | 97.3 | Very high | 95.9 | Very high | 130 Ų | 130 | 66.2 Ų | 66.2 | 61% | 0.607 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -135.5 | 8.4 | -179.2 | -56.5 | -177.9 | 24.3 | 0 | 0 | 112.9 | E70 K237 P238 | E70-Q241 PolarHBondContact OE2-N 2.88Å; K237-Q241 WeakPolarHBondContact CD-O 3.35Å; P238-Q241 PolarHBondContact O-N 3.35Å; P238-Q241 VanDerWaalsContact O-N 3.08Å |
| 242 | R | 97.8 | Very high | 95.8 | Very high | 36 Ų | 36 | 71.3 Ų | 71.3 | 14% | 0.136 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -80.3 | -40.2 | -173.5 | -61 | -176.4 | 165.9 | 165.8 | -3.6 | 112.2 | E70 W182 P192 V233 D234 P235 K237 P238 | E70-R242 PolarHBondContact OE1-N 2.87Å; E70-R242 VanDerWaalsContact OE1-N 3.11Å; E70-R242 VanDerWaalsContact OE2-CB 3.3Å; E70-R242 WeakPolarHBondContact OE2-CB 3.16Å; E70-R242 PolarHBondContact OE2-N 2.95Å; W182-R242 HydrophobicContact CH2-CB 4.47Å; W182-R242 HydrophobicContact CZ3-CB 4.35Å; P192-R242 VanDerWaalsContact CB-NH1 3.33Å; V233-R242 CarbonylContact C-O 3.59Å; V233-R242 WeakPolarHBondContact CA-O 3.32Å; V233-R242 HydrophobicContact CG1-CB 3.96Å; D234-R242 PolarHBondContact N-O 3.18Å; D234-R242 WeakPolarHBondContact O-CB 3.42Å; D234-R242 WeakPolarHBondContact O-CG 3.38Å; P235-R242 PolarHBondContact O-NE 2.86Å; P235-R242 PolarHBondContact O-NH2 2.86Å; K237-R242 HydrophobicContact CB-CG 4.15Å; K237-R242 WeakPolarHBondContact O-CG 3.46Å; K237-R242 PolarHBondContact O-NE 2.79Å; P238-R242 WeakPolarHBondContact O-CG 3.28Å |
| 243 | A | 98 | Very high | 95.8 | Very high | 15 Ų | 15 | 71.9 Ų | 71.9 | 12% | 0.124 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138.8 | -163.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I68 E70 L76 I231 Q232 V233 | I68-A243 HydrophobicContact CD1-CB 4.32Å; I68-A243 HydrophobicContact CG2-CB 3.87Å; E70-A243 HydrophobicContact CG-CB 4.45Å; E70-A243 WeakPolarHBondContact OE1-CB 3.14Å; E70-A243 PolarHBondContact OE1-N 2.83Å; L76-A243 HydrophobicContact CD1-CB 3.49Å; L76-A243 VanDerWaalsContact CD1-CB 3.49Å; I231-A243 HydrophobicContact CG2-CB 3.86Å; Q232-A243 CarbonylContact O-C 3.54Å; Q232-A243 VanDerWaalsContact O-CA 3.32Å; Q232-A243 WeakPolarHBondContact O-CA 3.43Å; V233-A243 HydrophobicContact CG2-CB 4.13Å |
| 244 | V | 97.6 | Very high | 95.8 | Very high | 69 Ų | 69 | 72.4 Ų | 72.4 | 42% | 0.418 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 124.3 | 177.6 | -179 | 0 | 0 | 0 | 0 | 108.9 | I231 Q232 K246 | I231-V244 WeakPolarHBondContact CA-O 3.49Å; Q232-V244 PolarHBondContact N-O 2.84Å; Q232-V244 PolarHBondContact O-N 2.9Å; V244-K246 HydrophobicContact CG1-CD 4.45Å; V244-K246 PolarHBondContact O-N 2.77Å |
| 245 | L | 97.4 | Very high | 95.8 | Very high | 34 Ų | 34 | 75.2 Ų | 75.2 | 18% | 0.178 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 121.6 | 167.9 | -179 | 67.8 | 0 | 0 | 0 | 108.7 | P65 I68 L229 I231 | P65-L245 HydrophobicContact CB-CD2 4.29Å; I68-L245 HydrophobicContact CD1-CB 4.11Å; L229-L245 HydrophobicContact CB-CD1 4.36Å; I231-L245 HydrophobicContact CG1-CD1 4.2Å |
| 246 | K | 96.1 | Very high | 95.9 | Very high | 93 Ų | 93 | 77.6 Ų | 77.6 | 40% | 0.404 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -68 | 176.9 | -67.7 | -59.4 | -169.6 | 177 | 0 | 110.9 | H230 Q232 V244 | H230-K246 PolarHBondContact O-N 3.25Å; Q232-K246 HydrophobicContact CB-CG 4Å; V244-K246 HydrophobicContact CG1-CD 4.45Å; V244-K246 PolarHBondContact O-N 2.77Å |
| 247 | E | 88.9 | Confident | 96 | Very high | 144 Ų | 144 | 70.7 Ų | 70.7 | 67% | 0.673 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 156.6 | -176.2 | -68.5 | -174.3 | 164.8 | 0 | 0 | 111.5 | L229 H230 | L229-E247 CarbonylContact C-O 3.48Å; L229-E247 WeakPolarHBondContact CA-O 3.22Å; H230-E247 PolarHBondContact N-O 2.98Å |
| 248 | P | 90.8 | Very high | 96 | Very high | 28 Ų | 28 | 70.9 Ų | 70.9 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | cis | -77.2 | 149.2 | -16.6 | 36.4 | -34.6 | 0 | 0 | 0 | 110.4 | R228 A250 | R228-P248 HydrophobicContact CB-CG 4.13Å; R228-P248 WeakPolarHBondContact O-CD 3.45Å; P248-A250 WeakPolarHBondContact CB-O 3.15Å | ||
| 249 | V | 87.9 | Confident | 96 | Very high | 98 Ų | 98 | 75.3 Ų | 75.3 | 59% | 0.594 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -72.7 | -36.5 | 175 | 178 | 0 | 0 | 0 | 0 | 110.9 | ||
| 250 | A | 92.9 | Very high | 96.1 | Very high | 70 Ų | 70 | 74.5 Ų | 74.5 | 58% | 0.579 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -121 | 138.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P248 | P248-A250 WeakPolarHBondContact CB-O 3.15Š|
| 251 | Q | 96.6 | Very high | 96.1 | Very high | 19 Ų | 19 | 75 Ų | 75 | 9% | 0.089 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 153 | 177.6 | -60 | -61.7 | -38.5 | 0 | 0 | 111.3 | I61 P81 M227 R228 | I61-Q251 HydrophobicContact CB-CB 4.41Å; I61-Q251 HydrophobicContact CD1-CB 4.13Å; I61-Q251 HydrophobicContact CG2-CB 3.78Å; I61-Q251 HydrophobicContact CG2-CG 4.07Å; P81-Q251 HydrophobicContact CG-CG 4.43Å; M227-Q251 HydrophobicContact CE-CG 4.25Å; M227-Q251 HydrophobicContact SD-CG 3.54Å; M227-Q251 VanDerWaalsContact SD-CG 3.54Å; M227-Q251 PolarHBondContact SD-OE1 3.33Å; R228-Q251 PolarHBondContact O-NE2 2.85Å; R228-Q251 PolarHBondContact O-OE1 3.28Å |
| 252 | E | 96.6 | Very high | 96.1 | Very high | 107 Ų | 107 | 74.2 Ų | 74.2 | 50% | 0.5 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 134 | 169.9 | -70.8 | 175 | -177.8 | 0 | 0 | 109.4 | I61 R228 | I61-E252 WeakPolarHBondContact CD1-O 3.45Å; R228-E252 IonicContact CZ-OE1 2.66Å; R228-E252 IonicContact NH2-OE1 3.08Å; R228-E252 PolarHBondContact NH2-OE1 2.95Å; R228-E252 IonicContact NH2-OE2 2.71Å |
| 253 | Q | 98.3 | Very high | 96.1 | Very high | 111 Ų | 111 | 73.8 Ų | 73.8 | 52% | 0.519 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 145 | 178.6 | -68.8 | -62.3 | -45.3 | 0 | 0 | 110.8 | I61 | I61-Q253 PolarHBondContact O-NE2 2.82Š|
| 254 | P | 98.5 | Very high | 96.1 | Very high | 17 Ų | 17 | 74 Ų | 74 | 11% | 0.11 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 149.3 | -179.5 | 25.4 | -34.2 | 0 | 0 | 0 | 112.4 | T59 F83 I223 R224 W225 | T59-P254 HydrophobicContact CG2-CB 4.03Å; T59-P254 HydrophobicContact CG2-CG 3.75Å; T59-P254 WeakPolarHBondContact OG1-CB 3.4Å; T59-P254 WeakPolarHBondContact OG1-CG 3.45Å; F83-P254 HydrophobicContact CD2-CB 4.2Å; F83-P254 HydrophobicContact CD2-CG 4.2Å; F83-P254 HydrophobicContact CE2-CB 3.72Å; F83-P254 HydrophobicContact CE2-CG 3.96Å; I223-P254 HydrophobicContact CG2-CB 3.99Å; R224-P254 WeakPolarHBondContact O-CA 3.02Å; W225-P254 HydrophobicContact CB-CB 3.81Å |
| 255 | Q | 98.6 | Very high | 96.1 | Very high | 124 Ų | 124 | 75.5 Ų | 75.5 | 58% | 0.579 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 119.6 | -178.6 | -172.1 | -177.3 | 13.9 | 0 | 0 | 110.9 | I223 R224 L257 | I223-Q255 CarbonylContact C-O 3.51Å; I223-Q255 WeakPolarHBondContact CA-O 3.37Å; R224-Q255 PolarHBondContact N-O 2.75Å; R224-Q255 PolarHBondContact O-N 2.88Å; Q255-L257 HydrophobicContact CG-CD2 4.22Å |
| 256 | I | 98.6 | Very high | 96 | Very high | 73 Ų | 73 | 77 Ų | 77 | 37% | 0.374 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 125.6 | 165.5 | -57 | 167.6 | 0 | 0 | 0 | 108 | L57 T59 I223 | L57-I256 HydrophobicContact CD2-CB 4.46Å; L57-I256 HydrophobicContact CD2-CD1 3.65Å; L57-I256 HydrophobicContact CD2-CG1 3.91Å; L57-I256 HydrophobicContact CD2-CG2 3.69Å; L57-I256 HydrophobicContact CG-CD1 3.85Å; L57-I256 HydrophobicContact CG-CG1 4.47Å; T59-I256 HydrophobicContact CG2-CD1 3.96Å; T59-I256 HydrophobicContact CG2-CG1 3.61Å; I223-I256 HydrophobicContact CG1-CG1 4.37Å |
| 257 | L | 98.4 | Very high | 96.1 | Very high | 23 Ų | 23 | 72.6 Ų | 72.6 | 12% | 0.12 | 41% | 0.411 | C | S | . | . | trans | -79.9 | 140 | -179 | -55.5 | -169 | 0 | 0 | 0 | 111.4 | T222 R224 Q255 K259 E261 | T222-L257 HydrophobicContact CG2-CD1 3.62Å; T222-L257 HydrophobicContact CG2-CG 4.15Å; T222-L257 PolarHBondContact O-N 3.04Å; R224-L257 HydrophobicContact CG-CD1 4.25Å; R224-L257 HydrophobicContact CG-CD2 4.25Å; R224-L257 HydrophobicContact CG-CG 4.48Å; Q255-L257 HydrophobicContact CG-CD2 4.22Å; L257-K259 WeakPolarHBondContact CB-O 3.48Å; L257-K259 PolarHBondContact O-N 3.26Å; L257-E261 HydrophobicContact CD1-CG 3.91Å | ||
| 258 | G | 96.4 | Very high | 96.5 | Very high | 94 Ų | 94 | 68 Ų | 68 | 97% | 0.969 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -69 | -20 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 259 | K | 97.3 | Very high | 96.8 | Very high | 175 Ų | 175 | 70.3 Ų | 70.3 | 76% | 0.761 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -130.9 | 132.9 | 174.4 | -176.2 | -179.3 | 176.9 | -176.4 | 0 | 109.1 | L257 | L257-K259 WeakPolarHBondContact CB-O 3.48Å; L257-K259 PolarHBondContact O-N 3.26Å |
| 260 | N | 97.8 | Very high | 97.2 | Very high | 53 Ų | 53 | 72.9 Ų | 72.9 | 28% | 0.283 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 140.4 | 176.3 | -68 | -16 | 0 | 0 | 0 | 111.1 | V219 L220 R221 T222 | V219-N260 HydrophobicContact CB-CB 4.47Å; V219-N260 HydrophobicContact CG1-CB 3.81Å; V219-N260 PolarHBondContact O-ND2 3.15Å; L220-N260 PolarHBondContact O-ND2 3.25Å; R221-N260 VanDerWaalsContact CA-OD1 3.26Å; R221-N260 WeakPolarHBondContact CA-OD1 3.13Å; T222-N260 PolarHBondContact N-OD1 2.79Å; T222-N260 WeakPolarHBondContact OG1-CA 3.37Å |
| 261 | E | 97.3 | Very high | 97.3 | Very high | 63 Ų | 63 | 70.9 Ų | 70.9 | 29% | 0.294 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -100.9 | 146.7 | 174.2 | -63.8 | -173.7 | 157.4 | 0 | 0 | 110.2 | W206 T222 R224 L257 | W206-E261 PolarHBondContact NE1-O 3.15Å; W206-E261 VanDerWaalsContact NE1-O 3.09Å; T222-E261 HydrophobicContact CG2-CB 4.25Å; T222-E261 PolarHBondContact OG1-N 3.44Å; T222-E261 VanDerWaalsContact OG1-N 3.08Å; R224-E261 IonicContact CZ-OE1 3.28Å; R224-E261 IonicContact CZ-OE2 3.42Å; R224-E261 IonicContact NE-OE2 2.69Å; R224-E261 IonicContact NH2-OE1 2.8Å; R224-E261 PolarHBondContact NH2-OE1 3.48Å; R224-E261 IonicContact NH2-OE2 2.67Å; R224-E261 PolarHBondContact NH2-OE2 2.9Å; L257-E261 HydrophobicContact CD1-CG 3.91Å |
| 262 | P | 97.1 | Very high | 97.3 | Very high | 112 Ų | 112 | 70.2 Ų | 70.2 | 73% | 0.727 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 151.7 | 174.5 | 29.9 | -35.2 | 0 | 0 | 0 | 110.8 | P264 | P262-P264 WeakPolarHBondContact O-CD 3.48Š|
| 263 | I | 98.1 | Very high | 97.3 | Very high | 27 Ų | 27 | 65.6 Ų | 65.6 | 14% | 0.138 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 123.7 | 175.2 | -50.6 | 170.8 | 0 | 0 | 0 | 108.2 | I105 W206 V208 T217 V219 A267 M268 | I105-I263 HydrophobicContact CD1-CD1 4.04Å; W206-I263 HydrophobicContact CB-CD1 4.44Å; W206-I263 HydrophobicContact CB-CG1 4.43Å; W206-I263 HydrophobicContact CD2-CG1 3.89Å; W206-I263 HydrophobicContact CD2-CG2 4.49Å; W206-I263 HydrophobicContact CE3-CG1 4.45Å; W206-I263 HydrophobicContact CE3-CG2 4.32Å; W206-I263 HydrophobicContact CG-CD1 4.4Å; W206-I263 HydrophobicContact CG-CG1 3.87Å; W206-I263 HydrophobicContact CH2-CG2 4.36Å; W206-I263 HydrophobicContact CZ3-CG2 4.26Å; V208-I263 HydrophobicContact CG1-CD1 4.12Å; V208-I263 HydrophobicContact CG2-CD1 3.69Å; T217-I263 HydrophobicContact CG2-CD1 4.16Å; V219-I263 HydrophobicContact CG2-CD1 3.97Å; V219-I263 HydrophobicContact CG2-CG1 3.85Å; I263-A267 HydrophobicContact CG2-CB 3.73Å; I263-M268 HydrophobicContact CB-SD 4.19Å; I263-M268 HydrophobicContact CD1-SD 3.91Å; I263-M268 HydrophobicContact CG2-CG 3.87Å; I263-M268 HydrophobicContact CG2-SD 3.58Å; I263-M268 VanDerWaalsContact CG2-SD 3.58Å |
| 264 | P | 97.3 | Very high | 97.2 | Very high | 19 Ų | 19 | 64.4 Ų | 64.4 | 12% | 0.123 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 143.2 | 174.3 | -24.3 | 35.1 | 0 | 0 | 0 | 111.4 | A137 P262 N266 A267 | A137-P264 HydrophobicContact CB-CB 4.37Å; A137-P264 HydrophobicContact CB-CG 4.03Å; P262-P264 WeakPolarHBondContact O-CD 3.48Å; P264-N266 VanDerWaalsContact C-N 3.26Å; P264-N266 PolarHBondContact O-N 3.31Å; P264-A267 WeakPolarHBondContact O-CB 3.32Å; P264-A267 PolarHBondContact O-N 2.88Å |
| 265 | P | 96.7 | Very high | 97.1 | Very high | 102 Ų | 102 | 65.7 Ų | 65.7 | 66% | 0.662 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -53.9 | -39.6 | -179.5 | -28.7 | 35.7 | 0 | 0 | 0 | 113.9 | A267 M268 | P265-A267 PolarHBondContact O-N 2.78Å; P265-M268 WeakPolarHBondContact O-CB 3.19Å; P265-M268 PolarHBondContact O-N 2.84Å |
| 266 | N | 96.9 | Very high | 97 | Very high | 66 Ų | 66 | 60 Ų | 60 | 35% | 0.353 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -67.8 | -16.6 | 179 | -62.6 | 87 | 0 | 0 | 0 | 114.4 | I135 A137 S139 P264 M268 | I135-N266 HydrophobicContact CB-CB 4.32Å; I135-N266 HydrophobicContact CG2-CB 4.3Å; I135-N266 VanDerWaalsContact CG2-ND2 3.34Å; I135-N266 WeakPolarHBondContact CG2-ND2 3.29Å; A137-N266 VanDerWaalsContact O-CB 3.26Å; A137-N266 WeakPolarHBondContact O-CB 3.41Å; S139-N266 PolarHBondContact N-O 2.79Å; P264-N266 VanDerWaalsContact C-N 3.26Å; P264-N266 PolarHBondContact O-N 3.31Å; N266-M268 VanDerWaalsContact C-N 3.28Å |
| 267 | A | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -77.7 | -18.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A107 S139 W206 I263 P264 P265 | A107-A267 HydrophobicContact CB-CB 3.61Å; S139-A267 VanDerWaalsContact CB-O 3.32Å; S139-A267 WeakPolarHBondContact CB-O 3.33Å; S139-A267 PolarHBondContact OG-O 3.22Å; W206-A267 HydrophobicContact CZ3-CB 4.4Å; I263-A267 HydrophobicContact CG2-CB 3.73Å; P264-A267 WeakPolarHBondContact O-CB 3.32Å; P264-A267 PolarHBondContact O-N 2.88Å; P265-A267 PolarHBondContact O-N 2.78Å |
| 268 | M | 97.2 | Very high | 96.8 | Very high | 46 Ų | 46 | 58 Ų | 58 | 23% | 0.227 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -92.7 | -11.2 | -174.2 | -61.7 | -65.7 | -71.8 | 0 | 0 | 114.1 | I105 P147 I210 T217 I263 P265 N266 | I105-M268 HydrophobicContact CD1-CE 4.28Å; I105-M268 HydrophobicContact CD1-SD 3.85Å; P147-M268 HydrophobicContact CB-CB 4.49Å; P147-M268 HydrophobicContact CB-CE 4.28Å; P147-M268 HydrophobicContact CB-SD 3.94Å; P147-M268 HydrophobicContact CG-CE 3.84Å; P147-M268 HydrophobicContact CG-SD 4.05Å; I210-M268 HydrophobicContact CD1-CE 3.87Å; T217-M268 HydrophobicContact CG2-CE 4.4Å; I263-M268 HydrophobicContact CB-SD 4.19Å; I263-M268 HydrophobicContact CD1-SD 3.91Å; I263-M268 HydrophobicContact CG2-CG 3.87Å; I263-M268 HydrophobicContact CG2-SD 3.58Å; I263-M268 VanDerWaalsContact CG2-SD 3.58Å; P265-M268 WeakPolarHBondContact O-CB 3.19Å; P265-M268 PolarHBondContact O-N 2.84Å; N266-M268 VanDerWaalsContact C-N 3.28Å |
| 269 | V | 96.4 | Very high | 96.9 | Very high | 77 Ų | 77 | 54.1 Ų | 54.1 | 47% | 0.467 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -134.9 | 169.8 | -169 | -61 | 0 | 0 | 0 | 0 | 111.6 | Y146 | Y146-V269 WeakPolarHBondContact CE1-O 3.48Š|
| 270 | K | 96 | Very high | 96.9 | Very high | 152 Ų | 152 | 47 Ų | 47 | 66% | 0.661 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -62.6 | 152.9 | 170 | -69.9 | 179.1 | 179.1 | -170.2 | 0 | 111.3 | Y146 | Y146-K270 HydrophobicContact CD1-CG 4.31Å; Y146-K270 HydrophobicContact CD2-CG 3.79Å; Y146-K270 HydrophobicContact CE1-CB 4.39Å; Y146-K270 HydrophobicContact CE1-CG 3.93Å; Y146-K270 HydrophobicContact CE2-CD 4.15Å; Y146-K270 HydrophobicContact CE2-CG 3.38Å; Y146-K270 HydrophobicContact CG-CG 4.23Å; Y146-K270 VanDerWaalsContact CZ-CG 3.46Å |
| 271 | P | 96.2 | Very high | 96.9 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | cis | -81.6 | 163.3 | -7.8 | 35.5 | -38.8 | 0 | 0 | 0 | 112.7 | I138 D275 A276 Y296 | I138-P271 HydrophobicContact CD1-CG 4.39Å; P271-D275 HydrophobicContact CB-CB 4.34Å; P271-A276 HydrophobicContact CB-CB 4.14Å; P271-A276 HydrophobicContact CG-CB 3.79Å; P271-Y296 HydrophobicContact CB-CD1 3.9Å; P271-Y296 HydrophobicContact CB-CD2 3.96Å; P271-Y296 HydrophobicContact CB-CE1 4.34Å; P271-Y296 HydrophobicContact CB-CE2 4.33Å; P271-Y296 HydrophobicContact CB-CG 3.7Å; P271-Y296 HydrophobicContact CG-CD1 4.03Å; P271-Y296 HydrophobicContact CG-CD2 3.78Å; P271-Y296 HydrophobicContact CG-CE1 3.98Å; P271-Y296 HydrophobicContact CG-CE2 3.65Å; P271-Y296 HydrophobicContact CG-CG 3.95Å |
| 272 | N | 96.9 | Very high | 96.9 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -81.6 | 168.4 | 165.3 | 70.3 | 15 | 0 | 0 | 0 | 110.8 | S139 S141 G143 Y146 N274 D275 A276 | S139-N272 CarbonylContact O-C 3.57Å; S139-N272 WeakPolarHBondContact O-CA 3.35Å; S141-N272 PolarHBondContact O-ND2 3.08Å; G143-N272 WeakPolarHBondContact CA-ND2 3.3Å; G143-N272 PolarHBondContact N-ND2 2.91Å; Y146-N272 HydrophobicContact CE1-CB 4.06Å; Y146-N272 VanDerWaalsContact OH-CB 3.32Å; Y146-N272 WeakPolarHBondContact OH-CB 3.26Å; Y146-N272 PolarHBondContact OH-N 3.26Å; N272-N274 VanDerWaalsContact C-N 3.27Å; N272-N274 PolarHBondContact O-N 3.25Å; N272-N274 PolarHBondContact OD1-N 3.11Å; N272-D275 PolarHBondContact O-N 2.85Å; N272-D275 WeakPolarHBondContact OD1-CB 3.11Å; N272-D275 VanDerWaalsContact OD1-CG 3.31Å; N272-D275 PolarHBondContact OD1-N 3.35Å; N272-D275 PolarHBondContact OD1-OD2 2.92Å; N272-A276 VanDerWaalsContact O-CB 3.22Å; N272-A276 WeakPolarHBondContact O-CB 3.36Å; N272-A276 PolarHBondContact O-N 2.81Å |
| 273 | A | 96.3 | Very high | 96.9 | Very high | 10 Ų | 10 | 41.7 Ų | 41.7 | 8% | 0.083 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.1 | -39.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L127 I138 S139 A276 Q277 | L127-A273 HydrophobicContact CD2-CB 4.43Å; I138-A273 HydrophobicContact CG2-CB 3.93Å; S139-A273 PolarHBondContact O-N 3.04Å; A273-A276 PolarHBondContact O-N 2.86Å; A273-Q277 WeakPolarHBondContact O-CB 3.16Å; A273-Q277 PolarHBondContact O-N 3Å |
| 274 | N | 95.1 | Very high | 96.8 | Very high | 85 Ų | 85 | 47.3 Ų | 47.3 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.2 | -34.6 | -177.6 | -75.8 | -40.4 | 0 | 0 | 0 | 113.8 | N272 Q277 | N272-N274 VanDerWaalsContact C-N 3.27Å; N272-N274 PolarHBondContact O-N 3.25Å; N272-N274 PolarHBondContact OD1-N 3.11Å; N274-Q277 WeakPolarHBondContact O-CG 3.29Å; N274-Q277 PolarHBondContact O-NE2 3.04Å |
| 275 | D | 96.2 | Very high | 96.6 | Very high | 45 Ų | 45 | 55.2 Ų | 55.2 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -80.1 | -30.3 | 175 | -69.2 | -22.4 | 0 | 0 | 0 | 110.9 | P271 N272 K295 Y296 | P271-D275 HydrophobicContact CB-CB 4.34Å; N272-D275 PolarHBondContact O-N 2.85Å; N272-D275 WeakPolarHBondContact OD1-CB 3.11Å; N272-D275 VanDerWaalsContact OD1-CG 3.31Å; N272-D275 PolarHBondContact OD1-N 3.35Å; N272-D275 PolarHBondContact OD1-OD2 2.92Å; D275-K295 HydrophobicContact CB-CB 4.31Å; D275-K295 PolarHBondContact O-N 3.08Å; D275-Y296 WeakPolarHBondContact O-CD1 3.5Å |
| 276 | A | 96.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -85.3 | -20.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116 | L127 I138 P271 N272 A273 Y296 | L127-A276 HydrophobicContact CD2-CB 4.01Å; I138-A276 HydrophobicContact CD1-CB 3.23Å; P271-A276 HydrophobicContact CB-CB 4.14Å; P271-A276 HydrophobicContact CG-CB 3.79Å; N272-A276 VanDerWaalsContact O-CB 3.22Å; N272-A276 WeakPolarHBondContact O-CB 3.36Å; N272-A276 PolarHBondContact O-N 2.81Å; A273-A276 PolarHBondContact O-N 2.86Å; A276-Y296 HydrophobicContact CB-CD1 4.28Å; A276-Y296 HydrophobicContact CB-CE1 3.76Å |
| 277 | Q | 96.3 | Very high | 96.4 | Very high | 44 Ų | 44 | 57 Ų | 57 | 21% | 0.206 | 30% | 0.296 | C | S | . | . | trans | -69.2 | 148.3 | -177.6 | 64.8 | -173.8 | -11.4 | 0 | 0 | 112.4 | W125 E126 L127 A273 N274 | W125-Q277 HydrophobicContact CE3-CB 4.04Å; W125-Q277 HydrophobicContact CE3-CG 3.74Å; W125-Q277 HydrophobicContact CZ3-CB 4.47Å; W125-Q277 HydrophobicContact CZ3-CG 3.77Å; E126-Q277 CarbonylContact O-C 3.59Å; E126-Q277 WeakPolarHBondContact O-CA 3.48Å; L127-Q277 HydrophobicContact CD2-CB 4.04Å; A273-Q277 WeakPolarHBondContact O-CB 3.16Å; A273-Q277 PolarHBondContact O-N 3Å; N274-Q277 WeakPolarHBondContact O-CG 3.29Å; N274-Q277 PolarHBondContact O-NE2 3.04Å | ||
| 278 | V | 97.8 | Very high | 96.3 | Very high | 10 Ų | 10 | 60.6 Ų | 60.6 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 143.8 | 174.7 | -55 | 0 | 0 | 0 | 0 | 109.7 | W125 E126 P128 M280 I292 P294 | W125-V278 CarbonylContact C-O 3.52Å; W125-V278 WeakPolarHBondContact CA-O 3.4Å; E126-V278 HydrophobicContact CB-CG2 3.94Å; E126-V278 PolarHBondContact N-O 2.82Å; E126-V278 PolarHBondContact O-N 2.76Å; P128-V278 HydrophobicContact CG-CG1 4.15Å; P128-V278 HydrophobicContact CG-CG2 3.77Å; V278-M280 HydrophobicContact CG2-CG 4.03Å; V278-M280 HydrophobicContact CG2-SD 4.07Å; V278-I292 WeakPolarHBondContact CA-O 3.26Å; V278-P294 HydrophobicContact CG1-CB 4.06Å; V278-P294 HydrophobicContact CG1-CG 4.06Å |
| 279 | L | 97.9 | Very high | 96.3 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 7% | 0.073 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 114.8 | 168.2 | -178.1 | 61.4 | 0 | 0 | 0 | 108.7 | W125 V291 I292 | W125-L279 HydrophobicContact CD2-CB 4.18Å; W125-L279 HydrophobicContact CD2-CD1 4.09Å; W125-L279 HydrophobicContact CE3-CB 4.01Å; W125-L279 HydrophobicContact CG-CD1 4.21Å; W125-L279 HydrophobicContact CH2-CB 3.92Å; W125-L279 HydrophobicContact CZ2-CB 4.07Å; W125-L279 HydrophobicContact CZ2-CD1 4.42Å; W125-L279 HydrophobicContact CZ2-CD2 4.27Å; W125-L279 HydrophobicContact CZ2-CG 4.48Å; W125-L279 HydrophobicContact CZ3-CB 3.87Å; L279-V291 HydrophobicContact CB-CB 4.27Å; L279-V291 HydrophobicContact CD2-CB 3.99Å; L279-V291 HydrophobicContact CD2-CG1 4Å; L279-V291 HydrophobicContact CG-CB 3.99Å; L279-V291 HydrophobicContact CG-CG2 4.37Å; L279-V291 WeakPolarHBondContact O-CB 3.45Å; L279-V291 PolarHBondContact O-N 3.05Å; L279-I292 HydrophobicContact CB-CB 3.73Å; L279-I292 HydrophobicContact CB-CD1 4.1Å; L279-I292 HydrophobicContact CB-CG1 3.95Å; L279-I292 HydrophobicContact CD2-CD1 3.73Å; L279-I292 HydrophobicContact CD2-CG1 4.04Å; L279-I292 PolarHBondContact N-O 3.33Å; L279-I292 PolarHBondContact O-N 3.45Å |
| 280 | M | 97.9 | Very high | 96.3 | Very high | 24 Ų | 24 | 62.8 Ų | 62.8 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 144.7 | 173.9 | -61.3 | -57.9 | -63.4 | 0 | 0 | 110.5 | S123 S124 E126 V278 P288 V290 | S123-M280 CarbonylContact C-O 3.43Å; S123-M280 WeakPolarHBondContact CA-O 3.42Å; S123-M280 WeakPolarHBondContact CB-O 3.34Å; S124-M280 PolarHBondContact N-O 3.46Å; S124-M280 PolarHBondContact O-N 3.5Å; E126-M280 HydrophobicContact CG-CG 4.4Å; V278-M280 HydrophobicContact CG2-CG 4.03Å; V278-M280 HydrophobicContact CG2-SD 4.07Å; M280-P288 HydrophobicContact CE-CB 4.5Å; M280-V290 HydrophobicContact CE-CG2 3.97Å; M280-V290 HydrophobicContact SD-CB 4.24Å; M280-V290 HydrophobicContact SD-CG2 3.66Å |
| 281 | W | 97.9 | Very high | 96.3 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 5% | 0.053 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.9 | 163.8 | 171.1 | -111.4 | 0 | 0 | 0 | 109.4 | Y117 K120 M122 V184 P185 V186 P283 P288 M289 V291 | Y117-W281 HydrophobicContact CD2-CH2 4.15Å; Y117-W281 AromaticContact CD2-CZ3 3.53Å; Y117-W281 HydrophobicContact CD2-CZ3 3.53Å; Y117-W281 AromaticContact CE2-CZ3 3.99Å; Y117-W281 HydrophobicContact CE2-CZ3 3.99Å; Y117-W281 HydrophobicContact CG-CH2 4.44Å; Y117-W281 HydrophobicContact CG-CZ3 4.21Å; K120-W281 HydrophobicContact CB-CH2 4.31Å; K120-W281 HydrophobicContact CB-CZ2 4.48Å; M122-W281 VanDerWaalsContact O-CE3 3.28Å; V184-W281 HydrophobicContact CB-CH2 4.27Å; V184-W281 HydrophobicContact CB-CZ2 4.5Å; V184-W281 HydrophobicContact CG1-CD2 4.17Å; V184-W281 HydrophobicContact CG1-CE3 4.25Å; V184-W281 HydrophobicContact CG1-CH2 3.59Å; V184-W281 HydrophobicContact CG1-CZ2 3.46Å; V184-W281 VanDerWaalsContact CG1-CZ2 3.46Å; V184-W281 HydrophobicContact CG1-CZ3 3.98Å; V184-W281 HydrophobicContact CG2-CH2 3.79Å; V184-W281 HydrophobicContact CG2-CZ2 4.22Å; V184-W281 HydrophobicContact CG2-CZ3 4.46Å; P185-W281 HydrophobicContact CG-CE3 3.97Å; V186-W281 HydrophobicContact CG1-CB 4.08Å; V186-W281 HydrophobicContact CG1-CG 4.21Å; V186-W281 HydrophobicContact CG2-CD2 4.25Å; V186-W281 HydrophobicContact CG2-CG 3.92Å; W281-P283 HydrophobicContact CZ2-CB 4.25Å; W281-P288 CarbonylContact O-C 3.19Å; W281-P288 WeakPolarHBondContact O-CA 3.41Å; W281-M289 HydrophobicContact CB-CG 3.82Å; W281-M289 HydrophobicContact CG-CG 4.27Å; W281-M289 PolarHBondContact N-O 3.38Å; W281-M289 PolarHBondContact O-N 3.4Å; W281-V291 HydrophobicContact CB-CG2 3.47Å; W281-V291 VanDerWaalsContact CB-CG2 3.47Å |
| 282 | R | 97.6 | Very high | 96.3 | Very high | 68 Ų | 68 | 59.7 Ų | 59.7 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 95.2 | 177.1 | -68 | -169.7 | -178.9 | 78.4 | -3.5 | 109 | G121 M122 S124 E126 P288 | G121-R282 VanDerWaalsContact CA-O 3.28Å; G121-R282 WeakPolarHBondContact CA-O 3.43Å; M122-R282 PolarHBondContact N-O 3.33Å; M122-R282 PolarHBondContact O-N 2.87Å; S124-R282 PolarHBondContact OG-NH1 2.83Å; E126-R282 VanDerWaalsContact CD-NH2 3.35Å; E126-R282 IonicContact OE1-CZ 3.46Å; E126-R282 IonicContact OE1-NH1 3.79Å; E126-R282 PolarHBondContact OE1-NH1 3.26Å; E126-R282 IonicContact OE1-NH2 3.74Å; E126-R282 PolarHBondContact OE1-NH2 3.23Å; E126-R282 IonicContact OE2-NH2 2.8Å; E126-R282 PolarHBondContact OE2-NH2 3.43Å; R282-P288 HydrophobicContact CG-CB 4.01Å; R282-P288 HydrophobicContact CG-CG 4.2Å |
| 283 | P | 97 | Very high | 96.3 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 159 | 177.8 | 30.8 | -34.1 | 0 | 0 | 0 | 110.6 | K120 W281 K285 | K120-P283 WeakPolarHBondContact O-CA 3.42Å; W281-P283 HydrophobicContact CZ2-CB 4.25Å; P283-K285 VanDerWaalsContact CB-O 3.29Å; P283-K285 WeakPolarHBondContact CB-O 3.11Å; P283-K285 VanDerWaalsContact CG-O 3.26Å; P283-K285 WeakPolarHBondContact CG-O 3.3Å; P283-K285 PolarHBondContact O-N 3.22Å |
| 284 | K | 94.8 | Very high | 96.3 | Very high | 145 Ų | 145 | 65.3 Ų | 65.3 | 63% | 0.63 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -65.3 | -25.2 | 172.1 | -172.7 | 171.2 | -174.9 | 173.3 | 0 | 112.6 | N119 K120 | N119-K284 WeakPolarHBondContact O-CD 3.2Å; N119-K284 PolarHBondContact OD1-NZ 3.17Å; K120-K284 PolarHBondContact O-N 3.08Å |
| 285 | K | 93 | Very high | 96.2 | Very high | 186 Ų | 186 | 68.9 Ų | 68.9 | 81% | 0.809 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -134.7 | 137 | 177.1 | -64.2 | -174 | 179.5 | -174.8 | 0 | 109.3 | P283 | P283-K285 VanDerWaalsContact CB-O 3.29Å; P283-K285 WeakPolarHBondContact CB-O 3.11Å; P283-K285 VanDerWaalsContact CG-O 3.26Å; P283-K285 WeakPolarHBondContact CG-O 3.3Å; P283-K285 PolarHBondContact O-N 3.22Å |
| 286 | G | 93.5 | Very high | 95.3 | Very high | 63 Ų | 63 | 74.5 Ų | 74.5 | 65% | 0.649 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 93.1 | -177.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 287 | D | 96.2 | Very high | 95.3 | Very high | 142 Ų | 142 | 78.1 Ų | 78.1 | 76% | 0.759 | 40% | 0.404 | S | S | * | . | trans | -85.4 | 148.6 | -172.4 | -62.2 | -42.9 | 0 | 0 | 0 | 112.6 | ||||
| 288 | P | 96.1 | Very high | 95.2 | Very high | 76 Ų | 76 | 79.8 Ų | 79.8 | 49% | 0.494 | 42% | 0.415 | S | S | . | . | trans | -55.7 | 145 | 166 | -26.5 | 36.7 | 0 | 0 | 0 | 112.3 | M280 W281 R282 | M280-P288 HydrophobicContact CE-CB 4.5Å; W281-P288 CarbonylContact O-C 3.19Å; W281-P288 WeakPolarHBondContact O-CA 3.41Å; R282-P288 HydrophobicContact CG-CB 4.01Å; R282-P288 HydrophobicContact CG-CG 4.2Å | ||
| 289 | M | 96.6 | Very high | 95.1 | Very high | 88 Ų | 88 | 83.7 Ų | 83.7 | 43% | 0.433 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 148.2 | 177.3 | 68.6 | -168.8 | -51.8 | 0 | 0 | 112.2 | V186 W281 | V186-M289 HydrophobicContact CB-SD 4.18Å; V186-M289 HydrophobicContact CG1-CE 4.4Å; V186-M289 HydrophobicContact CG1-CG 4.4Å; V186-M289 HydrophobicContact CG1-SD 3.81Å; V186-M289 HydrophobicContact CG2-SD 4.14Å; W281-M289 HydrophobicContact CB-CG 3.82Å; W281-M289 HydrophobicContact CG-CG 4.27Å; W281-M289 PolarHBondContact N-O 3.38Å; W281-M289 PolarHBondContact O-N 3.4Å |
| 290 | V | 97.3 | Very high | 94.9 | Very high | 81 Ų | 81 | 87.8 Ų | 87.8 | 49% | 0.491 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 120.5 | 169.8 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | M280 P293 | M280-V290 HydrophobicContact CE-CG2 3.97Å; M280-V290 HydrophobicContact SD-CB 4.24Å; M280-V290 HydrophobicContact SD-CG2 3.66Å; V290-P293 HydrophobicContact CG1-CB 4.34Å |
| 291 | V | 96.4 | Very high | 94.7 | Very high | 44 Ų | 44 | 91.8 Ų | 91.8 | 27% | 0.267 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -44.9 | 175.5 | -172.2 | 0 | 0 | 0 | 0 | 110.3 | P185 V186 L279 W281 | P185-V291 HydrophobicContact CB-CG1 4.42Å; V186-V291 HydrophobicContact CG1-CB 4.3Å; V186-V291 HydrophobicContact CG1-CG1 4Å; V186-V291 HydrophobicContact CG1-CG2 3.45Å; V186-V291 VanDerWaalsContact CG1-CG2 3.45Å; L279-V291 HydrophobicContact CB-CB 4.27Å; L279-V291 HydrophobicContact CD2-CB 3.99Å; L279-V291 HydrophobicContact CD2-CG1 4Å; L279-V291 HydrophobicContact CG-CB 3.99Å; L279-V291 HydrophobicContact CG-CG2 4.37Å; L279-V291 WeakPolarHBondContact O-CB 3.45Å; L279-V291 PolarHBondContact O-N 3.05Å; W281-V291 HydrophobicContact CB-CG2 3.47Å; W281-V291 VanDerWaalsContact CB-CG2 3.47Å |
| 292 | I | 96.3 | Very high | 94.5 | Very high | 71 Ų | 71 | 97 Ų | 97 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 115.5 | 177.2 | -57.6 | 174.9 | 0 | 0 | 0 | 107.3 | W125 V278 L279 | W125-I292 HydrophobicContact CH2-CB 4.31Å; W125-I292 HydrophobicContact CH2-CD1 3.69Å; W125-I292 HydrophobicContact CH2-CG2 4.32Å; W125-I292 HydrophobicContact CZ2-CD1 4.05Å; V278-I292 WeakPolarHBondContact CA-O 3.26Å; L279-I292 HydrophobicContact CB-CB 3.73Å; L279-I292 HydrophobicContact CB-CD1 4.1Å; L279-I292 HydrophobicContact CB-CG1 3.95Å; L279-I292 HydrophobicContact CD2-CD1 3.73Å; L279-I292 HydrophobicContact CD2-CG1 4.04Å; L279-I292 PolarHBondContact N-O 3.33Å; L279-I292 PolarHBondContact O-N 3.45Å |
| 293 | P | 96.6 | Very high | 94.3 | Very high | 82 Ų | 82 | 99.1 Ų | 99.1 | 53% | 0.532 | 52% | 0.523 | S | S | . | . | trans | -71.9 | 165.6 | 174.9 | 32.5 | -35.2 | 0 | 0 | 0 | 110.9 | V290 | V290-P293 HydrophobicContact CG1-CB 4.34Š| ||
| 294 | P | 94.9 | Very high | 94.1 | Very high | 51 Ų | 51 | 104 Ų | 104 | 33% | 0.331 | 55% | 0.546 | S | S | . | . | trans | -66.4 | 160.6 | 171.3 | 31.1 | -31.6 | 0 | 0 | 0 | 110.3 | V278 Y296 | V278-P294 HydrophobicContact CG1-CB 4.06Å; V278-P294 HydrophobicContact CG1-CG 4.06Å; P294-Y296 HydrophobicContact CB-CD1 3.74Å; P294-Y296 HydrophobicContact CB-CE1 3.52Å; P294-Y296 HydrophobicContact CG-CE1 4.2Å | ||
| 295 | K | 92.6 | Very high | 94 | Very high | 160 Ų | 160 | 100.6 Ų | 100.6 | 70% | 0.696 | 54% | 0.539 | S | S | * | . | trans | -92 | -8 | -176.2 | -64.5 | 179.7 | -175.1 | 167.7 | 0 | 114.7 | D275 | D275-K295 HydrophobicContact CB-CB 4.31Å; D275-K295 PolarHBondContact O-N 3.08Å | ||
| 296 | Y | 78.6 | Confident | 94.1 | Very high | 163 Ų | 163 | 92.8 Ų | 92.8 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | trans | -109.3 | 0 | -170.5 | 74.4 | -76.1 | 0 | 0 | 0 | 112.7 | P271 D275 A276 P294 | P271-Y296 HydrophobicContact CB-CD1 3.9Å; P271-Y296 HydrophobicContact CB-CD2 3.96Å; P271-Y296 HydrophobicContact CB-CE1 4.34Å; P271-Y296 HydrophobicContact CB-CE2 4.33Å; P271-Y296 HydrophobicContact CB-CG 3.7Å; P271-Y296 HydrophobicContact CG-CD1 4.03Å; P271-Y296 HydrophobicContact CG-CD2 3.78Å; P271-Y296 HydrophobicContact CG-CE1 3.98Å; P271-Y296 HydrophobicContact CG-CE2 3.65Å; P271-Y296 HydrophobicContact CG-CG 3.95Å; D275-Y296 WeakPolarHBondContact O-CD1 3.5Å; A276-Y296 HydrophobicContact CB-CD1 4.28Å; A276-Y296 HydrophobicContact CB-CE1 3.76Å; P294-Y296 HydrophobicContact CB-CD1 3.74Å; P294-Y296 HydrophobicContact CB-CE1 3.52Å; P294-Y296 HydrophobicContact CG-CE1 4.2Å |
Retrieved 296 of 296 residues in 224.8 ms
(Link to these results)