| 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 | 30.5 | Very low | 30.6 | Very low | 233 Ų | 233 | 166.5 Ų | 166.5 | 100% | 1.148 | 85% | 0.848 | S | S | * | * | 0 | 152.2 | 0 | -42.4 | -175.9 | -160.1 | 0 | 0 | 107.3 | |||||
| 2 | R | 30.7 | Very low | 30.6 | Very low | 234 Ų | 234 | 168.8 Ų | 168.8 | 88% | 0.883 | 85% | 0.847 | S | S | * | * | cis | -125.8 | 166.1 | -5.1 | -60.3 | 172.2 | -179 | 164.4 | 1.1 | 106.5 | ||||
| 3 | T | 34.6 | Very low | 30.7 | Very low | 127 Ų | 127 | 167.2 Ų | 167.2 | 78% | 0.779 | 84% | 0.842 | S | S | * | * | cis | -86.8 | -145.1 | 2.5 | 36.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 4 | K | 29.9 | Very low | 30.7 | Very low | 191 Ų | 191 | 163.1 Ų | 163.1 | 83% | 0.83 | 84% | 0.837 | S | S | * | * | cis | 64.9 | 157.6 | 8.1 | -54.4 | -168.4 | 179.7 | -172.6 | 0 | 116.2 | ||||
| 5 | T | 35.1 | Very low | 30.8 | Very low | 133 Ų | 133 | 159.5 Ų | 159.5 | 82% | 0.816 | 83% | 0.832 | S | S | * | * | cis | -116.5 | 160.5 | -4 | 41.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 6 | G | 28 | Very low | 30.9 | Very low | 64 Ų | 64 | 158.9 Ų | 158.9 | 66% | 0.66 | 83% | 0.829 | S | S | * | * | trans | -168.3 | 153 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 7 | W | 28.1 | Very low | 30.8 | Very low | 250 Ų | 250 | 157.5 Ų | 157.5 | 95% | 0.947 | 83% | 0.834 | S | S | * | * | trans | -148.4 | 156.4 | 177.5 | -82.9 | 93.1 | 0 | 0 | 0 | 110.2 | ||||
| 8 | T | 28.6 | Very low | 30.8 | Very low | 128 Ų | 128 | 156.4 Ų | 156.4 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -138.5 | 145.8 | -179.2 | 33.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 9 | C | 30 | Very low | 30.8 | Very low | 118 Ų | 118 | 156.2 Ų | 156.2 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | 46.2 | 125.4 | 157.8 | -59.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 10 | I | 32.9 | Very low | 30.9 | Very low | 168 Ų | 168 | 156.6 Ų | 156.6 | 86% | 0.862 | 83% | 0.828 | S | S | * | * | -168.1 | 158 | 115.6 | -96.6 | 155.5 | 0 | 0 | 0 | 109.1 | |||||
| 11 | F | 28.3 | Very low | 31.1 | Very low | 186 Ų | 186 | 154.2 Ų | 154.2 | 82% | 0.816 | 82% | 0.821 | S | S | * | * | trans | -69.9 | 144.9 | -179.3 | -68.5 | -109 | 0 | 0 | 0 | 112.4 | ||||
| 12 | F | 30.1 | Very low | 31.3 | Very low | 193 Ų | 193 | 149.8 Ų | 149.8 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | -179.5 | 133.8 | 111.8 | -102.3 | -74.2 | 0 | 0 | 0 | 113.1 | |||||
| 13 | L | 32 | Very low | 31.2 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | 14.9 | 124 | 161.8 | -64.4 | 168.9 | 0 | 0 | 0 | 122.9 | ||||
| 14 | S | 31.4 | Very low | 30.9 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | 90.2 | 147.6 | 130.6 | 77.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 15 | S | 31.3 | Very low | 30.9 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | 68.3 | 84.6 | 154.6 | -60 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 16 | L | 32.8 | Very low | 30.5 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | 44.9 | 119.4 | 115.1 | -146.5 | 81.1 | 0 | 0 | 0 | 119.4 | L18 | L16-L18 HydrophobicContact CD2-CD1 4.12Å; L16-L18 HydrophobicContact CD2-CG 4.43Å; L16-L18 HydrophobicContact CG-CG 4.42Å | |||
| 17 | C | 30 | Very low | 30.6 | Very low | 135 Ų | 135 | 142.1 Ų | 142.1 | 91% | 0.912 | 81% | 0.813 | S | S | * | * | trans | -139.6 | 146.4 | 146.6 | -158.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 18 | L | 31 | Very low | 31 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 72% | 0.723 | 80% | 0.804 | S | S | * | * | trans | -110.6 | 169.7 | -160.3 | -85.6 | 164.5 | 0 | 0 | 0 | 114.4 | L16 | L16-L18 HydrophobicContact CD2-CD1 4.12Å; L16-L18 HydrophobicContact CD2-CG 4.43Å; L16-L18 HydrophobicContact CG-CG 4.42Å | ||
| 19 | L | 30.8 | Very low | 31.3 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -60.5 | 159.6 | 176 | -61.1 | 157.7 | 0 | 0 | 0 | 112.7 | ||||
| 20 | L | 32.9 | Very low | 32.1 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | -174.7 | 161.3 | 102.4 | -89.9 | 174.1 | 0 | 0 | 0 | 111.3 | |||||
| 21 | P | 35.2 | Very low | 32.8 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | trans | -105.7 | 177.1 | -167.1 | 41.3 | -36.2 | 0 | 0 | 0 | 114.5 | ||||
| 22 | T | 34.1 | Very low | 34 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | trans | -123.7 | 135.9 | 162.1 | 52.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 23 | E | 28.8 | Very low | 35.4 | Very low | 201 Ų | 201 | 125.1 Ų | 125.1 | 94% | 0.939 | 74% | 0.744 | S | S | * | * | trans | -81.3 | 147.3 | -178.3 | -55.8 | -179 | 128.5 | 0 | 0 | 112.4 | ||||
| 24 | G | 28.2 | Very low | 36.7 | Very low | 73 Ų | 73 | 121.1 Ų | 121.1 | 75% | 0.753 | 73% | 0.726 | S | S | * | * | trans | 173.4 | 133.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 25 | A | 29 | Very low | 37.9 | Very low | 105 Ų | 105 | 121.6 Ų | 121.6 | 87% | 0.868 | 72% | 0.719 | S | S | * | * | trans | 56.2 | 101.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | G27 | A25-G27 PolarHBondContact O-N 3.26Š| ||
| 26 | T | 27.8 | Very low | 39.4 | Very low | 148 Ų | 148 | 119.1 Ų | 119.1 | 91% | 0.908 | 69% | 0.693 | S | S | * | * | trans | -66.3 | 102.2 | 176.6 | 52.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 27 | G | 28.9 | Very low | 40.4 | Very low | 60 Ų | 60 | 116.9 Ų | 116.9 | 62% | 0.619 | 69% | 0.687 | S | S | * | * | trans | -120.8 | 116.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | A25 V29 | A25-G27 PolarHBondContact O-N 3.26Å; G27-V29 VanDerWaalsContact C-N 3.33Å; G27-V29 PolarHBondContact O-N 3.27Å | ||
| 28 | Y | 36.8 | Very low | 41.4 | Very low | 190 Ų | 190 | 116.7 Ų | 116.7 | 75% | 0.745 | 67% | 0.673 | S | S | * | * | trans | -73.7 | 87.7 | 174.1 | -91.8 | -92.8 | 0 | 0 | 0 | 110 | I30 R121 | Y28-I30 PolarHBondContact O-N 3.06Å; Y28-I30 VanDerWaalsContact O-N 3.17Å; Y28-R121 PolarHBondContact OH-NH1 3.31Å | ||
| 29 | V | 34.3 | Very low | 42.2 | Very low | 121 Ų | 121 | 117.6 Ų | 117.6 | 73% | 0.733 | 68% | 0.679 | S | S | * | * | trans | -65.1 | 112.4 | 171 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | G27 T31 | G27-V29 VanDerWaalsContact C-N 3.33Å; G27-V29 PolarHBondContact O-N 3.27Å; V29-T31 PolarHBondContact O-N 2.91Å; V29-T31 VanDerWaalsContact O-N 3.14Å | ||
| 30 | I | 47.5 | Very low | 43 | Very low | 93 Ų | 93 | 112 Ų | 112 | 48% | 0.477 | 65% | 0.647 | S | S | . | * | trans | -75.5 | 99 | 166.8 | -65.5 | 165.2 | 0 | 0 | 0 | 105.9 | Y28 D32 C33 C67 | Y28-I30 PolarHBondContact O-N 3.06Å; Y28-I30 VanDerWaalsContact O-N 3.17Å; I30-D32 PolarHBondContact O-N 2.98Å; I30-D32 VanDerWaalsContact O-N 3.11Å; I30-C33 HydrophobicContact CG2-CB 4.18Å; I30-C33 PolarHBondContact O-N 3.26Å; I30-C67 HydrophobicContact CB-CB 4.39Å; I30-C67 HydrophobicContact CD1-CB 3.63Å; I30-C67 HydrophobicContact CG2-CB 4.47Å | ||
| 31 | T | 46.8 | Very low | 43.7 | Very low | 119 Ų | 119 | 113.9 Ų | 113.9 | 73% | 0.73 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -24.1 | -171.6 | 42.4 | 0 | 0 | 0 | 0 | 114.1 | V29 | V29-T31 PolarHBondContact O-N 2.91Å; V29-T31 VanDerWaalsContact O-N 3.14Å |
| 32 | D | 53.5 | Low | 44.4 | Very low | 142 Ų | 142 | 115.2 Ų | 115.2 | 76% | 0.759 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 31.8 | -171.6 | -57.9 | -86 | 0 | 0 | 0 | 112.7 | I30 P34 | I30-D32 PolarHBondContact O-N 2.98Å; I30-D32 VanDerWaalsContact O-N 3.11Å; D32-P34 WeakPolarHBondContact O-CD 3.41Å |
| 33 | C | 59.8 | Low | 44.9 | Very low | 22 Ų | 22 | 115.5 Ų | 115.5 | 15% | 0.149 | 64% | 0.64 | C | S | . | * | P | Polyproline II helix | trans | -87.3 | 118.2 | 175.9 | -157.9 | 0 | 0 | 0 | 0 | 112.3 | I30 I35 C67 L73 | I30-C33 HydrophobicContact CG2-CB 4.18Å; I30-C33 PolarHBondContact O-N 3.26Å; C33-I35 PolarHBondContact O-N 2.8Å; C33-C67 HydrophobicContact CB-CB 3.88Å; C33-C67 WeakPolarHBondContact CB-SG 3.4Å; C33-C67 WeakPolarHBondContact SG-CA 3.3Å; C33-C67 WeakPolarHBondContact SG-CB 3.3Å; C33-C67 CovalentContact SG-SG 2.03Å; C33-C67 PolarHBondContact SG-SG 2.95Å; C33-L73 HydrophobicContact CB-CD2 4.49Å; C33-L73 HydrophobicContact CB-CG 4.49Å |
| 34 | P | 59.8 | Low | 45.7 | Very low | 63 Ų | 63 | 110 Ų | 110 | 41% | 0.409 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -73.7 | 130 | -175.7 | 27.8 | -33.9 | 0 | 0 | 0 | 112.9 | D32 G72 L73 | D32-P34 WeakPolarHBondContact O-CD 3.41Å; P34-G72 WeakPolarHBondContact O-CA 3.4Å; P34-L73 PolarHBondContact O-N 2.81Å |
| 35 | I | 57.2 | Low | 46.8 | Very low | 121 Ų | 121 | 109.1 Ų | 109.1 | 62% | 0.621 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -76 | 131 | 171.5 | -58.3 | 172 | 0 | 0 | 0 | 109.1 | C33 L54 L73 | C33-I35 PolarHBondContact O-N 2.8Å; I35-L54 HydrophobicContact CD1-CD2 3.98Å; I35-L54 HydrophobicContact CG1-CD2 4.18Å; I35-L54 HydrophobicContact CG2-CD2 3.85Å; I35-L73 HydrophobicContact CG1-CD1 4.36Å |
| 36 | R | 61.6 | Low | 47.7 | Very low | 57 Ų | 57 | 114.3 Ų | 114.3 | 22% | 0.215 | 61% | 0.606 | C | S | . | * | trans | -121.3 | 134.8 | 176.9 | -69.1 | -171.6 | 174.2 | 173.8 | 6.6 | 112.1 | W40 S52 E70 | R36-W40 HydrophobicContact CB-CD2 4.39Å; R36-W40 HydrophobicContact CB-CG 4.35Å; R36-S52 WeakPolarHBondContact O-CB 3.29Å; R36-S52 PolarHBondContact O-OG 2.94Å; R36-E70 PolarHBondContact NH1-O 2.74Å; R36-E70 PolarHBondContact NH2-O 2.94Å | ||
| 37 | P | 54.7 | Low | 49 | Very low | 102 Ų | 102 | 113.2 Ų | 113.2 | 66% | 0.662 | 59% | 0.591 | S | S | * | * | trans | -75.8 | 152.8 | 179.7 | 31.4 | -35.5 | 0 | 0 | 0 | 112.3 | N39 W40 | P37-N39 PolarHBondContact O-N 2.7Å; P37-W40 WeakPolarHBondContact O-CB 3.48Å; P37-W40 PolarHBondContact O-N 2.74Å | ||
| 38 | E | 51.7 | Low | 50.5 | Low | 132 Ų | 132 | 121.3 Ų | 121.3 | 62% | 0.617 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -18.4 | -167.8 | -63.2 | -167.3 | 116.6 | 0 | 0 | 116.5 | W40 K51 | E38-W40 PolarHBondContact O-N 2.89Å; E38-K51 WeakPolarHBondContact OE1-CE 3.26Å; E38-K51 IonicContact OE1-NZ 3.48Å |
| 39 | N | 47 | Very low | 51.9 | Low | 156 Ų | 156 | 113.8 Ų | 113.8 | 83% | 0.834 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 0.1 | -176.6 | -69 | -23.5 | 0 | 0 | 0 | 114.9 | P37 K41 | P37-N39 PolarHBondContact O-N 2.7Å; N39-K41 VanDerWaalsContact C-N 3.25Å; N39-K41 PolarHBondContact O-N 2.04Å |
| 40 | W | 47.6 | Very low | 53.6 | Low | 35 Ų | 35 | 113.6 Ų | 113.6 | 13% | 0.133 | 56% | 0.564 | C | S | . | * | trans | -76.9 | 40.7 | -164 | 75.7 | -72.5 | 0 | 0 | 0 | 116.9 | R36 P37 E38 I42 F44 C49 R50 C71 | R36-W40 HydrophobicContact CB-CD2 4.39Å; R36-W40 HydrophobicContact CB-CG 4.35Å; P37-W40 WeakPolarHBondContact O-CB 3.48Å; P37-W40 PolarHBondContact O-N 2.74Å; E38-W40 PolarHBondContact O-N 2.89Å; W40-I42 PolarHBondContact O-N 2.92Å; W40-F44 HydrophobicContact CZ3-CD2 4.32Å; W40-C49 HydrophobicContact CH2-CB 3.02Å; W40-C49 WeakPolarHBondContact CH2-SG 2.98Å; W40-C49 HydrophobicContact CZ2-CB 3.61Å; W40-C49 HydrophobicContact CZ3-CB 3.6Å; W40-C49 VanDerWaalsContact CZ3-SG 3.54Å; W40-R50 WeakPolarHBondContact CZ2-O 3.04Å; W40-C71 VanDerWaalsContact CH2-CA 3.47Å; W40-C71 HydrophobicContact CH2-CB 3.64Å; W40-C71 WeakPolarHBondContact CH2-O 3.42Å; W40-C71 HydrophobicContact CZ2-CB 4.49Å; W40-C71 WeakPolarHBondContact CZ2-O 3.38Å; W40-C71 HydrophobicContact CZ3-CB 4.48Å | ||
| 41 | K | 48.2 | Very low | 54.9 | Low | 205 Ų | 205 | 113.9 Ų | 113.9 | 89% | 0.891 | 56% | 0.562 | S | S | * | * | trans | -69.1 | 28.1 | 179.8 | -65.8 | -176.9 | 179.9 | 173.6 | 0 | 115.2 | N39 | N39-K41 VanDerWaalsContact C-N 3.25Å; N39-K41 PolarHBondContact O-N 2.04Å | ||
| 42 | I | 48.8 | Very low | 56.4 | Low | 133 Ų | 133 | 108.7 Ų | 108.7 | 68% | 0.682 | 53% | 0.53 | S | S | * | . | trans | -86.3 | 123.9 | 175 | -58.9 | 172.9 | 0 | 0 | 0 | 107.7 | W40 F44 | W40-I42 PolarHBondContact O-N 2.92Å; I42-F44 PolarHBondContact O-N 3.12Å | ||
| 43 | Q | 45.5 | Very low | 57.7 | Low | 148 Ų | 148 | 102.2 Ų | 102.2 | 69% | 0.692 | 50% | 0.496 | S | S | * | . | trans | -69.5 | 118.4 | -178.2 | -77 | -178.9 | -118.6 | 0 | 0 | 112.1 | G45 | Q43-G45 VanDerWaalsContact C-N 3.29Å; Q43-G45 PolarHBondContact NE2-O 2.99Å; Q43-G45 PolarHBondContact O-N 3.26Å; Q43-G45 VanDerWaalsContact O-N 3.14Å | ||
| 44 | F | 44.7 | Very low | 58.6 | Low | 86 Ų | 86 | 106.6 Ų | 106.6 | 38% | 0.377 | 52% | 0.517 | S | S | . | . | B | Isolated β-bridge | trans | -81.8 | 83.6 | 158.7 | -73.9 | -98.3 | 0 | 0 | 0 | 107.8 | W40 I42 K46 H47 | W40-F44 HydrophobicContact CZ3-CD2 4.32Å; I42-F44 PolarHBondContact O-N 3.12Å; F44-K46 PolarHBondContact O-N 2.88Å; F44-H47 PolarHBondContact O-N 3.4Å |
| 45 | G | 51.8 | Low | 59.7 | Low | 54 Ų | 54 | 109.1 Ų | 109.1 | 56% | 0.557 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | -128 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q43 | Q43-G45 VanDerWaalsContact C-N 3.29Å; Q43-G45 PolarHBondContact NE2-O 2.99Å; Q43-G45 PolarHBondContact O-N 3.26Å; Q43-G45 VanDerWaalsContact O-N 3.14Å |
| 46 | K | 48.3 | Very low | 60.8 | Low | 213 Ų | 213 | 106.9 Ų | 106.9 | 93% | 0.926 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -17.2 | -179.4 | -70.9 | -177.6 | 178.8 | 176.6 | 0 | 113.4 | F44 R48 | F44-K46 PolarHBondContact O-N 2.88Å; K46-R48 PolarHBondContact O-N 2.85Å |
| 47 | H | 54.4 | Low | 61.8 | Low | 126 Ų | 126 | 108.4 Ų | 108.4 | 58% | 0.583 | 54% | 0.541 | S | S | * | . | B | Isolated β-bridge | trans | -83.4 | 112.9 | -178.2 | -87.8 | -75.1 | 0 | 0 | 0 | 111.6 | F44 C49 | F44-H47 PolarHBondContact O-N 3.4Å; H47-C49 PolarHBondContact O-N 3.29Å; H47-C49 VanDerWaalsContact O-N 3.12Å |
| 48 | R | 60.7 | Low | 63 | Low | 229 Ų | 229 | 106.4 Ų | 106.4 | 86% | 0.864 | 53% | 0.525 | S | S | * | . | trans | -77.1 | 91 | 162.8 | -76.3 | -171.6 | 178.6 | 179.7 | 1.4 | 109.1 | K46 | K46-R48 PolarHBondContact O-N 2.85Š| ||
| 49 | C | 66.2 | Low | 64.5 | Low | 33 Ų | 33 | 100.8 Ų | 100.8 | 22% | 0.223 | 50% | 0.5 | C | S | . | . | trans | -55 | 159.1 | 166.5 | -54.6 | 0 | 0 | 0 | 0 | 112 | W40 H47 C71 | W40-C49 HydrophobicContact CH2-CB 3.02Å; W40-C49 WeakPolarHBondContact CH2-SG 2.98Å; W40-C49 HydrophobicContact CZ2-CB 3.61Å; W40-C49 HydrophobicContact CZ3-CB 3.6Å; W40-C49 VanDerWaalsContact CZ3-SG 3.54Å; H47-C49 PolarHBondContact O-N 3.29Å; H47-C49 VanDerWaalsContact O-N 3.12Å; C49-C71 HydrophobicContact CB-CB 3.7Å; C49-C71 WeakPolarHBondContact CB-SG 3.04Å; C49-C71 WeakPolarHBondContact SG-CB 3.31Å; C49-C71 CovalentContact SG-SG 2.04Å; C49-C71 PolarHBondContact SG-SG 2.85Å | ||
| 50 | R | 69.4 | Low | 66.2 | Low | 117 Ų | 117 | 95.3 Ų | 95.3 | 44% | 0.442 | 48% | 0.481 | S | S | . | . | trans | -101.1 | -177.1 | -175.6 | -109.8 | -178.5 | 178 | 173.9 | -13.4 | 113.9 | W40 S52 H63 C75 | W40-R50 WeakPolarHBondContact CZ2-O 3.04Å; R50-S52 PolarHBondContact O-N 2.9Å; R50-H63 VanDerWaalsContact CZ-NE2 3.27Å; R50-H63 PolarHBondContact NH1-CD2 2.77Å; R50-H63 PolarHBondContact NH1-NE2 2.83Å; R50-H63 PolarHBondContact NH2-NE2 3.3Å; R50-C75 WeakPolarHBondContact CD-O 3.47Å; R50-C75 PolarHBondContact NH1-O 3.18Å | ||
| 51 | K | 75.7 | Confident | 67.8 | Low | 98 Ų | 98 | 99.4 Ų | 99.4 | 43% | 0.426 | 51% | 0.511 | S | S | . | . | trans | -49.6 | 131.5 | 170.6 | -165.9 | -154.4 | 165.7 | -171.3 | 0 | 108.9 | E38 D58 C75 | E38-K51 WeakPolarHBondContact OE1-CE 3.26Å; E38-K51 IonicContact OE1-NZ 3.48Å; K51-D58 PolarHBondContact NZ-O 3.28Å; K51-C75 PolarHBondContact O-N 2.82Å | ||
| 52 | S | 77.1 | Confident | 69.4 | Low | 11 Ų | 11 | 97 Ų | 97 | 8% | 0.077 | 50% | 0.501 | C | S | . | . | B | Isolated β-bridge | trans | -65.8 | 153.2 | 169.6 | 43.6 | 0 | 0 | 0 | 0 | 111.1 | R36 R50 L73 | R36-S52 WeakPolarHBondContact O-CB 3.29Å; R36-S52 PolarHBondContact O-OG 2.94Å; R50-S52 PolarHBondContact O-N 2.9Å; S52-L73 WeakPolarHBondContact CA-O 3.06Å |
| 53 | C | 81.3 | Confident | 71.2 | Confident | 6 Ų | 6 | 92.5 Ų | 92.5 | 4% | 0.041 | 48% | 0.477 | C | S | . | . | trans | -148.7 | 162.2 | -178.6 | 56.7 | 0 | 0 | 0 | 0 | 111.3 | D58 C65 L73 S74 | C53-D58 HydrophobicContact CB-CB 3.81Å; C53-C65 VanDerWaalsContact C-SG 3.53Å; C53-C65 HydrophobicContact CB-CB 3.77Å; C53-C65 WeakPolarHBondContact CB-SG 3.03Å; C53-C65 WeakPolarHBondContact SG-CA 3.32Å; C53-C65 WeakPolarHBondContact SG-CB 3.33Å; C53-C65 CovalentContact SG-SG 2.03Å; C53-C65 PolarHBondContact SG-SG 2.9Å; C53-L73 PolarHBondContact N-O 2.94Å; C53-L73 VanDerWaalsContact O-CB 3.27Å; C53-L73 WeakPolarHBondContact O-CB 3.44Å; C53-S74 VanDerWaalsContact SG-C 3.59Å | ||
| 54 | L | 79 | Confident | 72.9 | Confident | 113 Ų | 113 | 89.1 Ų | 89.1 | 59% | 0.592 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -122.1 | -29.6 | 169.2 | -62.7 | 171 | 0 | 0 | 0 | 110.7 | I35 D58 | I35-L54 HydrophobicContact CD1-CD2 3.98Å; I35-L54 HydrophobicContact CG1-CD2 4.18Å; I35-L54 HydrophobicContact CG2-CD2 3.85Å; L54-D58 PolarHBondContact N-OD2 2.99Å |
| 55 | L | 82.9 | Confident | 74.8 | Confident | 117 Ų | 117 | 86.1 Ų | 86.1 | 61% | 0.613 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -132.4 | 157.5 | -179.5 | -64.5 | 168.9 | 0 | 0 | 0 | 110.7 | A57 D58 | L55-A57 HydrophobicContact CB-CB 4.49Å; L55-A57 PolarHBondContact O-N 2.86Å; L55-A57 VanDerWaalsContact O-N 3.11Å; L55-D58 PolarHBondContact N-OD2 3.14Å; L55-D58 WeakPolarHBondContact O-CB 3.43Å; L55-D58 PolarHBondContact O-N 2.98Å |
| 56 | D | 80.9 | Confident | 76.1 | Confident | 73 Ų | 73 | 85.2 Ų | 85.2 | 39% | 0.39 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -58.9 | -23.3 | 172.8 | -82.4 | -7.6 | 0 | 0 | 0 | 113.2 | D58 C59 Q64 C65 | D56-D58 VanDerWaalsContact C-N 3.33Å; D56-C59 PolarHBondContact O-N 2.81Å; D56-Q64 VanDerWaalsContact CG-CG 3.41Å; D56-Q64 WeakPolarHBondContact OD1-CG 3.45Å; D56-Q64 VanDerWaalsContact OD2-CG 3.27Å; D56-Q64 WeakPolarHBondContact OD2-CG 3.42Å; D56-Q64 PolarHBondContact OD2-NE2 2.9Å; D56-C65 PolarHBondContact OD1-N 2.89Å |
| 57 | A | 81.8 | Confident | 77.4 | Confident | 90 Ų | 90 | 75.9 Ų | 75.9 | 74% | 0.744 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -70.8 | -21.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L55 C59 | L55-A57 HydrophobicContact CB-CB 4.49Å; L55-A57 PolarHBondContact O-N 2.86Å; L55-A57 VanDerWaalsContact O-N 3.11Å; A57-C59 PolarHBondContact O-N 2.89Å |
| 58 | D | 80.3 | Confident | 78.3 | Confident | 60 Ų | 60 | 70.8 Ų | 70.8 | 32% | 0.321 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -73.2 | -14.1 | 177.2 | -62.7 | -44.9 | 0 | 0 | 0 | 112.6 | K51 C53 L54 L55 D56 | K51-D58 PolarHBondContact NZ-O 3.28Å; C53-D58 HydrophobicContact CB-CB 3.81Å; L54-D58 PolarHBondContact N-OD2 2.99Å; L55-D58 PolarHBondContact N-OD2 3.14Å; L55-D58 WeakPolarHBondContact O-CB 3.43Å; L55-D58 PolarHBondContact O-N 2.98Å; D56-D58 VanDerWaalsContact C-N 3.33Å |
| 59 | C | 83.1 | Confident | 78.7 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 9% | 0.088 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -106.2 | 134.6 | -173.8 | -61.6 | 0 | 0 | 0 | 0 | 111 | D56 A57 H63 C75 | D56-C59 PolarHBondContact O-N 2.81Å; A57-C59 PolarHBondContact O-N 2.89Å; C59-H63 HydrophobicContact CB-CB 3.81Å; C59-C75 WeakPolarHBondContact CA-SG 3.4Å; C59-C75 HydrophobicContact CB-CB 3.83Å; C59-C75 WeakPolarHBondContact CB-SG 3.4Å; C59-C75 VanDerWaalsContact SG-CA 3.5Å; C59-C75 WeakPolarHBondContact SG-CB 3.37Å; C59-C75 CovalentContact SG-SG 2.04Å; C59-C75 PolarHBondContact SG-SG 3.39Å |
| 60 | G | 82.2 | Confident | 78.7 | Confident | 42 Ų | 42 | 68.4 Ų | 68.4 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | trans | -62.1 | 152.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K62 H63 | G60-K62 VanDerWaalsContact C-N 3.25Å; G60-K62 PolarHBondContact O-N 2.85Å; G60-H63 VanDerWaalsContact O-CB 3.22Å; G60-H63 WeakPolarHBondContact O-CB 3.38Å; G60-H63 PolarHBondContact O-N 3.22Å; G60-H63 PolarHBondContact O-ND1 3.37Å | ||
| 61 | P | 82.4 | Confident | 78.8 | Confident | 120 Ų | 120 | 63.1 Ų | 63.1 | 78% | 0.779 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -30.5 | -154.1 | 13.8 | -30.8 | 0 | 0 | 0 | 117.3 | H63 K78 | P61-H63 PolarHBondContact O-N 3.25Å; P61-K78 PolarHBondContact O-NZ 3.46Å |
| 62 | K | 80.9 | Confident | 78.7 | Confident | 156 Ų | 156 | 58.4 Ų | 58.4 | 68% | 0.678 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | 13.6 | 176.5 | -58.7 | -175.1 | 178.3 | -177.9 | 0 | 114.3 | G60 K78 | G60-K62 VanDerWaalsContact C-N 3.25Å; G60-K62 PolarHBondContact O-N 2.85Å; K62-K78 PolarHBondContact O-N 2.79Å |
| 63 | H | 85.9 | Confident | 78.8 | Confident | 37 Ų | 37 | 59.9 Ų | 59.9 | 17% | 0.171 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 161.3 | -170.8 | -55 | 93.1 | 0 | 0 | 0 | 112.3 | R50 C59 G60 P61 C75 I76 K78 | R50-H63 VanDerWaalsContact CZ-NE2 3.27Å; R50-H63 PolarHBondContact NH1-CD2 2.77Å; R50-H63 PolarHBondContact NH1-NE2 2.83Å; R50-H63 PolarHBondContact NH2-NE2 3.3Å; C59-H63 HydrophobicContact CB-CB 3.81Å; G60-H63 VanDerWaalsContact O-CB 3.22Å; G60-H63 WeakPolarHBondContact O-CB 3.38Å; G60-H63 PolarHBondContact O-N 3.22Å; G60-H63 PolarHBondContact O-ND1 3.37Å; P61-H63 PolarHBondContact O-N 3.25Å; H63-C75 HydrophobicContact CB-CB 4.35Å; H63-I76 CarbonylContact C-O 3.56Å; H63-I76 WeakPolarHBondContact CA-O 3.33Å; H63-I76 VanDerWaalsContact CB-O 3.27Å; H63-I76 WeakPolarHBondContact CB-O 3.48Å; H63-K78 WeakPolarHBondContact O-CE 3.31Å; H63-K78 PolarHBondContact O-NZ 3.07Å |
| 64 | Q | 83 | Confident | 78.7 | Confident | 78 Ų | 78 | 59.6 Ų | 59.6 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 149.9 | -178.2 | -159.1 | 170.4 | 6.6 | 0 | 0 | 109.3 | D56 I66 C75 I76 K78 | D56-Q64 VanDerWaalsContact CG-CG 3.41Å; D56-Q64 WeakPolarHBondContact OD1-CG 3.45Å; D56-Q64 VanDerWaalsContact OD2-CG 3.27Å; D56-Q64 WeakPolarHBondContact OD2-CG 3.42Å; D56-Q64 PolarHBondContact OD2-NE2 2.9Å; Q64-I66 HydrophobicContact CB-CD1 4.33Å; Q64-I66 HydrophobicContact CB-CG1 4.34Å; Q64-I66 HydrophobicContact CG-CG1 4.44Å; Q64-C75 CarbonylContact O-C 3.57Å; Q64-C75 WeakPolarHBondContact O-CA 3.5Å; Q64-I76 PolarHBondContact N-O 2.78Å; Q64-I76 PolarHBondContact O-N 2.61Å; Q64-K78 HydrophobicContact CB-CG 4.02Å |
| 65 | C | 84.6 | Confident | 79 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 113.9 | -179.9 | -169.1 | 0 | 0 | 0 | 0 | 110.5 | C53 D56 | C53-C65 VanDerWaalsContact C-SG 3.53Å; C53-C65 HydrophobicContact CB-CB 3.77Å; C53-C65 WeakPolarHBondContact CB-SG 3.03Å; C53-C65 WeakPolarHBondContact SG-CA 3.32Å; C53-C65 WeakPolarHBondContact SG-CB 3.33Å; C53-C65 CovalentContact SG-SG 2.03Å; C53-C65 PolarHBondContact SG-SG 2.9Å; D56-C65 PolarHBondContact OD1-N 2.89Å |
| 66 | I | 79 | Confident | 78.9 | Confident | 36 Ų | 36 | 49.7 Ų | 49.7 | 19% | 0.185 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 150.2 | -174.5 | -49.1 | -178.7 | 0 | 0 | 0 | 110.3 | Q64 S74 I76 V102 | Q64-I66 HydrophobicContact CB-CD1 4.33Å; Q64-I66 HydrophobicContact CB-CG1 4.34Å; Q64-I66 HydrophobicContact CG-CG1 4.44Å; I66-S74 PolarHBondContact N-O 3.36Å; I66-S74 VanDerWaalsContact N-O 3.12Å; I66-S74 PolarHBondContact O-N 2.86Å; I66-I76 HydrophobicContact CB-CB 4.33Å; I66-I76 HydrophobicContact CB-CG1 3.99Å; I66-I76 HydrophobicContact CD1-CB 4.13Å; I66-I76 HydrophobicContact CD1-CG2 4.26Å; I66-I76 HydrophobicContact CG1-CB 4.33Å; I66-V102 HydrophobicContact CD1-CB 4.21Å; I66-V102 HydrophobicContact CD1-CG1 3.68Å; I66-V102 HydrophobicContact CG2-CG1 3.77Å |
| 67 | C | 75.6 | Confident | 78.9 | Confident | 16 Ų | 16 | 54 Ų | 54 | 11% | 0.108 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 129.2 | 173.2 | -164 | 0 | 0 | 0 | 0 | 112.1 | I30 C33 G126 | I30-C67 HydrophobicContact CB-CB 4.39Å; I30-C67 HydrophobicContact CD1-CB 3.63Å; I30-C67 HydrophobicContact CG2-CB 4.47Å; C33-C67 HydrophobicContact CB-CB 3.88Å; C33-C67 WeakPolarHBondContact CB-SG 3.4Å; C33-C67 WeakPolarHBondContact SG-CA 3.3Å; C33-C67 WeakPolarHBondContact SG-CB 3.3Å; C33-C67 CovalentContact SG-SG 2.03Å; C33-C67 PolarHBondContact SG-SG 2.95Å; C67-G126 PolarHBondContact O-N 2.87Å |
| 68 | D | 72.9 | Confident | 78.5 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | trans | -129.5 | 33.9 | -167.5 | -168.3 | 21.6 | 0 | 0 | 0 | 110.2 | E70 C71 G72 S74 I76 N127 | D68-E70 PolarHBondContact O-N 3.39Å; D68-C71 HydrophobicContact CB-CB 3.74Å; D68-C71 WeakPolarHBondContact O-CB 3.3Å; D68-C71 PolarHBondContact O-N 2.76Å; D68-C71 VanDerWaalsContact OD2-CB 3.28Å; D68-C71 WeakPolarHBondContact OD2-CB 3.36Å; D68-C71 PolarHBondContact OD2-SG 2.04Å; D68-G72 WeakPolarHBondContact CB-O 3.44Å; D68-G72 PolarHBondContact N-O 3.13Å; D68-S74 WeakPolarHBondContact OD2-CB 3.34Å; D68-S74 PolarHBondContact OD2-OG 2.93Å; D68-I76 HydrophobicContact CB-CD1 4.31Å; D68-N127 PolarHBondContact OD1-N 2.92Å | ||
| 69 | Q | 68.6 | Low | 78.1 | Confident | 104 Ų | 104 | 54 Ų | 54 | 49% | 0.486 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | 39.3 | -93 | 179.9 | -74.5 | -174.7 | -30.1 | 0 | 0 | 115.1 | C71 G72 N127 | Q69-C71 PolarHBondContact O-N 2.97Å; Q69-G72 PolarHBondContact O-N 3.43Å; Q69-G72 VanDerWaalsContact O-N 3.16Å; Q69-N127 PolarHBondContact OE1-ND2 2.69Å |
| 70 | E | 66.4 | Low | 77.6 | Confident | 109 Ų | 109 | 54.1 Ų | 54.1 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -52.6 | -26.6 | 176.8 | -61.2 | -169.7 | 156.5 | 0 | 0 | 113.2 | R36 D68 | R36-E70 PolarHBondContact NH1-O 2.74Å; R36-E70 PolarHBondContact NH2-O 2.94Å; D68-E70 PolarHBondContact O-N 3.39Å |
| 71 | C | 70.3 | Confident | 77.5 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -101.1 | -11.4 | -173.7 | -62.7 | 0 | 0 | 0 | 0 | 114.3 | W40 C49 D68 Q69 | W40-C71 VanDerWaalsContact CH2-CA 3.47Å; W40-C71 HydrophobicContact CH2-CB 3.64Å; W40-C71 WeakPolarHBondContact CH2-O 3.42Å; W40-C71 HydrophobicContact CZ2-CB 4.49Å; W40-C71 WeakPolarHBondContact CZ2-O 3.38Å; W40-C71 HydrophobicContact CZ3-CB 4.48Å; C49-C71 HydrophobicContact CB-CB 3.7Å; C49-C71 WeakPolarHBondContact CB-SG 3.04Å; C49-C71 WeakPolarHBondContact SG-CB 3.31Å; C49-C71 CovalentContact SG-SG 2.04Å; C49-C71 PolarHBondContact SG-SG 2.85Å; D68-C71 HydrophobicContact CB-CB 3.74Å; D68-C71 WeakPolarHBondContact O-CB 3.3Å; D68-C71 PolarHBondContact O-N 2.76Å; D68-C71 VanDerWaalsContact OD2-CB 3.28Å; D68-C71 WeakPolarHBondContact OD2-CB 3.36Å; D68-C71 PolarHBondContact OD2-SG 2.04Å; Q69-C71 PolarHBondContact O-N 2.97Å |
| 72 | G | 74.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | 71.6 | -149.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P34 D68 Q69 S74 | P34-G72 WeakPolarHBondContact O-CA 3.4Å; D68-G72 WeakPolarHBondContact CB-O 3.44Å; D68-G72 PolarHBondContact N-O 3.13Å; Q69-G72 PolarHBondContact O-N 3.43Å; Q69-G72 VanDerWaalsContact O-N 3.16Å; G72-S74 PolarHBondContact O-N 2.86Å | ||
| 73 | L | 78.9 | Confident | 77 | Confident | 41 Ų | 41 | 47.3 Ų | 47.3 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 113.6 | 171.3 | -72.8 | 172.8 | 0 | 0 | 0 | 110.8 | C33 P34 I35 S52 C53 | C33-L73 HydrophobicContact CB-CD2 4.49Å; C33-L73 HydrophobicContact CB-CG 4.49Å; P34-L73 PolarHBondContact O-N 2.81Å; I35-L73 HydrophobicContact CG1-CD1 4.36Å; S52-L73 WeakPolarHBondContact CA-O 3.06Å; C53-L73 PolarHBondContact N-O 2.94Å; C53-L73 VanDerWaalsContact O-CB 3.27Å; C53-L73 WeakPolarHBondContact O-CB 3.44Å |
| 74 | S | 79.3 | Confident | 76.2 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.3 | -170.1 | 130.6 | 0 | 0 | 0 | 0 | 112.2 | C53 I66 D68 G72 I76 | C53-S74 VanDerWaalsContact SG-C 3.59Å; I66-S74 PolarHBondContact N-O 3.36Å; I66-S74 VanDerWaalsContact N-O 3.12Å; I66-S74 PolarHBondContact O-N 2.86Å; D68-S74 WeakPolarHBondContact OD2-CB 3.34Å; D68-S74 PolarHBondContact OD2-OG 2.93Å; G72-S74 PolarHBondContact O-N 2.86Å; S74-I76 VanDerWaalsContact C-N 3.34Å; S74-I76 PolarHBondContact O-N 2.94Å |
| 75 | C | 85.5 | Confident | 75.1 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.034 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 78.9 | 179.8 | -69.8 | 0 | 0 | 0 | 0 | 113 | R50 K51 C59 H63 Q64 | R50-C75 WeakPolarHBondContact CD-O 3.47Å; R50-C75 PolarHBondContact NH1-O 3.18Å; K51-C75 PolarHBondContact O-N 2.82Å; C59-C75 WeakPolarHBondContact CA-SG 3.4Å; C59-C75 HydrophobicContact CB-CB 3.83Å; C59-C75 WeakPolarHBondContact CB-SG 3.4Å; C59-C75 VanDerWaalsContact SG-CA 3.5Å; C59-C75 WeakPolarHBondContact SG-CB 3.37Å; C59-C75 CovalentContact SG-SG 2.04Å; C59-C75 PolarHBondContact SG-SG 3.39Å; H63-C75 HydrophobicContact CB-CB 4.35Å; Q64-C75 CarbonylContact O-C 3.57Å; Q64-C75 WeakPolarHBondContact O-CA 3.5Å |
| 76 | I | 81.1 | Confident | 73.9 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 9% | 0.087 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 152.3 | 173.7 | -59.3 | -55.7 | 0 | 0 | 0 | 110.7 | H63 Q64 I66 D68 S74 S80 V102 | H63-I76 CarbonylContact C-O 3.56Å; H63-I76 WeakPolarHBondContact CA-O 3.33Å; H63-I76 VanDerWaalsContact CB-O 3.27Å; H63-I76 WeakPolarHBondContact CB-O 3.48Å; Q64-I76 PolarHBondContact N-O 2.78Å; Q64-I76 PolarHBondContact O-N 2.61Å; I66-I76 HydrophobicContact CB-CB 4.33Å; I66-I76 HydrophobicContact CB-CG1 3.99Å; I66-I76 HydrophobicContact CD1-CB 4.13Å; I66-I76 HydrophobicContact CD1-CG2 4.26Å; I66-I76 HydrophobicContact CG1-CB 4.33Å; D68-I76 HydrophobicContact CB-CD1 4.31Å; S74-I76 VanDerWaalsContact C-N 3.34Å; S74-I76 PolarHBondContact O-N 2.94Å; I76-S80 WeakPolarHBondContact CG2-OG 3.32Å; I76-V102 HydrophobicContact CG2-CG2 4.43Å |
| 77 | R | 79.9 | Confident | 73 | Confident | 162 Ų | 162 | 55.7 Ų | 55.7 | 61% | 0.611 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 131.7 | 177.8 | -176.7 | 177.5 | 173.1 | 167.5 | -4.1 | 109.7 | G79 S80 | R77-G79 PolarHBondContact O-N 2.68Å; R77-S80 WeakPolarHBondContact O-CB 3.05Å; R77-S80 PolarHBondContact O-N 3.03Å; R77-S80 PolarHBondContact O-OG 3.14Å |
| 78 | K | 73.9 | Confident | 72.4 | Confident | 104 Ų | 104 | 58.1 Ų | 58.1 | 45% | 0.452 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 129.3 | 170.9 | -74.7 | 171.9 | 175 | 155.2 | 0 | 108.7 | P61 K62 H63 Q64 | P61-K78 PolarHBondContact O-NZ 3.46Å; K62-K78 PolarHBondContact O-N 2.79Å; H63-K78 WeakPolarHBondContact O-CE 3.31Å; H63-K78 PolarHBondContact O-NZ 3.07Å; Q64-K78 HydrophobicContact CB-CG 4.02Å |
| 79 | G | 71.7 | Confident | 72.5 | Confident | 48 Ų | 48 | 57.9 Ų | 57.9 | 50% | 0.495 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 38.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R77 H81 | R77-G79 PolarHBondContact O-N 2.68Å; G79-H81 PolarHBondContact O-CD2 2.66Å |
| 80 | S | 73.5 | Confident | 72.7 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 11% | 0.105 | 33% | 0.328 | C | S | . | . | trans | -82.1 | 133.8 | 163.3 | -62.6 | 0 | 0 | 0 | 0 | 108.8 | I76 R77 I101 V102 | I76-S80 WeakPolarHBondContact CG2-OG 3.32Å; R77-S80 WeakPolarHBondContact O-CB 3.05Å; R77-S80 PolarHBondContact O-N 3.03Å; R77-S80 PolarHBondContact O-OG 3.14Å; S80-I101 CarbonylContact O-C 3.46Å; S80-I101 VanDerWaalsContact O-CA 3.24Å; S80-I101 WeakPolarHBondContact O-CA 3.39Å; S80-V102 PolarHBondContact O-N 2.83Å | ||
| 81 | H | 79.3 | Confident | 73.3 | Confident | 101 Ų | 101 | 54.7 Ų | 54.7 | 47% | 0.468 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -110 | 144.2 | -176.5 | -57.8 | -88.7 | 0 | 0 | 0 | 112.8 | G79 A100 R128 | G79-H81 PolarHBondContact O-CD2 2.66Å; H81-A100 CarbonylContact C-O 3.5Å; H81-A100 VanDerWaalsContact CA-O 3.25Å; H81-A100 WeakPolarHBondContact CA-O 3.31Å; H81-R128 WeakPolarHBondContact O-CD 3.3Å |
| 82 | C | 78.5 | Confident | 73.9 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 5% | 0.054 | 33% | 0.331 | C | S | . | . | trans | -79.6 | 162.7 | 158.4 | -71.1 | 0 | 0 | 0 | 0 | 110.9 | A100 C124 R128 W130 | C82-A100 PolarHBondContact N-O 2.69Å; C82-C124 HydrophobicContact CB-CB 3.92Å; C82-C124 WeakPolarHBondContact CB-SG 3.24Å; C82-C124 WeakPolarHBondContact SG-CA 3.48Å; C82-C124 WeakPolarHBondContact SG-CB 3.39Å; C82-C124 CovalentContact SG-SG 2.02Å; C82-C124 PolarHBondContact SG-SG 2.79Å; C82-R128 PolarHBondContact SG-O 2.93Å; C82-R128 VanDerWaalsContact SG-O 3.32Å; C82-W130 HydrophobicContact CB-CZ2 4.08Å | ||
| 83 | S | 75.5 | Confident | 74.4 | Confident | 65 Ų | 65 | 59.6 Ų | 59.6 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | trans | -65.5 | 135.1 | 168.6 | 44.6 | 0 | 0 | 0 | 0 | 111.3 | V85 W130 | S83-V85 PolarHBondContact O-N 2.94Å; S83-W130 PolarHBondContact O-NE1 2.68Å | ||
| 84 | L | 68.8 | Low | 74.7 | Confident | 100 Ų | 100 | 58.7 Ų | 58.7 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | trans | -81.8 | 5.9 | 168.3 | -82.3 | 168 | 0 | 0 | 0 | 113.1 | I86 Y96 A100 | L84-I86 PolarHBondContact O-N 3.34Å; L84-Y96 HydrophobicContact CD2-CD1 4.13Å; L84-A100 HydrophobicContact CD1-CB 4.29Å; L84-A100 HydrophobicContact CD2-CB 3.8Å; L84-A100 HydrophobicContact CG-CB 3.71Å | ||
| 85 | V | 60.4 | Low | 75 | Confident | 131 Ų | 131 | 65.5 Ų | 65.5 | 79% | 0.794 | 37% | 0.373 | S | S | * | . | trans | -81.2 | 84.8 | 178.9 | -171.9 | 0 | 0 | 0 | 0 | 109 | S83 | S83-V85 PolarHBondContact O-N 2.94Š| ||
| 86 | I | 59.4 | Low | 74.8 | Confident | 19 Ų | 19 | 70.6 Ų | 70.6 | 10% | 0.097 | 39% | 0.392 | C | S | . | . | trans | -123.5 | 133.1 | 162.4 | -60.5 | -170 | 0 | 0 | 0 | 106.4 | L84 I106 W130 | L84-I86 PolarHBondContact O-N 3.34Å; I86-I106 HydrophobicContact CD1-CD1 3.7Å; I86-W130 HydrophobicContact CD1-CD2 4.35Å; I86-W130 HydrophobicContact CD1-CG 4.01Å | ||
| 87 | T | 58.3 | Low | 74.8 | Confident | 100 Ų | 100 | 71.1 Ų | 71.1 | 61% | 0.613 | 40% | 0.396 | S | S | * | . | trans | -67.7 | 156.8 | 178.5 | 25.9 | 0 | 0 | 0 | 0 | 112.1 | L89 E134 | T87-L89 PolarHBondContact O-N 3.44Å; T87-E134 PolarHBondContact OG1-OE1 3.07Å; T87-E134 VanDerWaalsContact OG1-OE1 3.1Å | ||
| 88 | G | 63.4 | Low | 74.6 | Confident | 67 Ų | 67 | 74 Ų | 74 | 69% | 0.691 | 41% | 0.413 | S | S | * | . | trans | -63.8 | 131.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A90 | G88-A90 PolarHBondContact O-N 2.73Å; G88-A90 VanDerWaalsContact O-N 3.09Å | ||
| 89 | L | 74.7 | Confident | 74.7 | Confident | 14 Ų | 14 | 74.6 Ų | 74.6 | 7% | 0.073 | 42% | 0.418 | C | S | . | . | trans | -63.1 | 108 | 171.4 | 176.4 | 63.4 | 0 | 0 | 0 | 109.2 | T87 N91 G92 V94 Y108 E109 L116 P135 | T87-L89 PolarHBondContact O-N 3.44Å; L89-N91 PolarHBondContact O-N 2.82Å; L89-G92 CarbonylContact O-C 3.47Å; L89-G92 PolarHBondContact O-N 2.82Å; L89-G92 VanDerWaalsContact O-O 3.07Å; L89-V94 HydrophobicContact CB-CG2 3.74Å; L89-Y108 HydrophobicContact CB-CD1 4.44Å; L89-Y108 HydrophobicContact CD2-CD1 4.11Å; L89-E109 VanDerWaalsContact CD2-O 3.31Å; L89-E109 WeakPolarHBondContact CD2-O 3.44Å; L89-L116 HydrophobicContact CD1-CD1 4.34Å; L89-L116 HydrophobicContact CD2-CD1 3.89Å; L89-P135 WeakPolarHBondContact CD1-O 3.44Å | ||
| 90 | A | 74.7 | Confident | 75.2 | Confident | 70 Ų | 70 | 72.5 Ų | 72.5 | 58% | 0.579 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 132.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | G88 G92 C137 | G88-A90 PolarHBondContact O-N 2.73Å; G88-A90 VanDerWaalsContact O-N 3.09Å; A90-G92 PolarHBondContact O-N 2.9Å; A90-C137 WeakPolarHBondContact O-CB 3.38Å |
| 91 | N | 78.1 | Confident | 75.5 | Confident | 75 Ų | 75 | 74.5 Ų | 74.5 | 40% | 0.401 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 34.4 | -173.5 | -51.4 | -46.2 | 0 | 0 | 0 | 114.2 | L89 S111 Y114 C137 | L89-N91 PolarHBondContact O-N 2.82Å; N91-S111 WeakPolarHBondContact O-CB 3.48Å; N91-S111 PolarHBondContact O-N 2.82Å; N91-S111 PolarHBondContact O-OG 3.24Å; N91-Y114 HydrophobicContact CB-CD1 3.54Å; N91-Y114 HydrophobicContact CB-CD2 3.81Å; N91-Y114 HydrophobicContact CB-CE1 3.64Å; N91-Y114 HydrophobicContact CB-CE2 3.91Å; N91-Y114 HydrophobicContact CB-CG 3.64Å; N91-Y114 VanDerWaalsContact CG-CZ 3.48Å; N91-Y114 WeakPolarHBondContact ND2-CE1 3.15Å; N91-C137 HydrophobicContact CB-CB 4.03Å; N91-C137 WeakPolarHBondContact O-CB 3.11Å; N91-C137 PolarHBondContact O-SG 2.79Å |
| 92 | G | 82.5 | Confident | 75.3 | Confident | 20 Ų | 20 | 70.7 Ų | 70.7 | 21% | 0.206 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | -170.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L89 A90 E109 | L89-G92 CarbonylContact O-C 3.47Å; L89-G92 PolarHBondContact O-N 2.82Å; L89-G92 VanDerWaalsContact O-O 3.07Å; A90-G92 PolarHBondContact O-N 2.9Å; G92-E109 CarbonylContact C-O 3.48Å; G92-E109 WeakPolarHBondContact CA-O 3.39Å |
| 93 | H | 85.4 | Confident | 75 | Confident | 88 Ų | 88 | 72.9 Ų | 72.9 | 41% | 0.407 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 150.5 | 179.4 | 56.4 | -85.5 | 0 | 0 | 0 | 111.7 | E109 | H93-E109 IonicContact CD2-OE2 3.62Å; H93-E109 IonicContact CE1-OE2 3.8Å; H93-E109 PolarHBondContact N-O 3.38Å; H93-E109 VanDerWaalsContact NE2-CB 3.28Å; H93-E109 WeakPolarHBondContact NE2-CB 3.29Å; H93-E109 IonicContact NE2-OE2 2.8Å; H93-E109 PolarHBondContact NE2-OE2 3.36Å; H93-E109 PolarHBondContact O-N 3.07Å |
| 94 | V | 85.4 | Confident | 75.4 | Confident | 22 Ų | 22 | 70.9 Ų | 70.9 | 13% | 0.133 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121.4 | -172.4 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | L89 Y96 I106 Y108 | L89-V94 HydrophobicContact CB-CG2 3.74Å; V94-Y96 HydrophobicContact CB-CE2 3.93Å; V94-Y96 HydrophobicContact CG1-CD1 4.29Å; V94-Y96 HydrophobicContact CG1-CD2 4.48Å; V94-Y96 HydrophobicContact CG1-CE1 3.78Å; V94-Y96 HydrophobicContact CG1-CE2 3.99Å; V94-Y96 WeakPolarHBondContact O-CD2 3.49Å; V94-Y96 WeakPolarHBondContact O-CE2 3.09Å; V94-I106 HydrophobicContact CG1-CG2 3.35Å; V94-Y108 HydrophobicContact CG1-CD1 4.34Å; V94-Y108 HydrophobicContact CG1-CE1 4.21Å; V94-Y108 HydrophobicContact CG2-CD1 3.86Å; V94-Y108 HydrophobicContact CG2-CE1 3.98Å |
| 95 | R | 85.5 | Confident | 76 | Confident | 145 Ų | 145 | 67.4 Ų | 67.4 | 55% | 0.547 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 106.2 | 175.3 | -57 | -163.2 | -165.1 | -154 | 7.4 | 110 | I106 K107 E109 | R95-I106 WeakPolarHBondContact O-CA 3.5Å; R95-K107 HydrophobicContact CB-CB 4.28Å; R95-K107 PolarHBondContact N-O 3.35Å; R95-K107 PolarHBondContact O-N 3.11Å; R95-K107 VanDerWaalsContact O-N 3.11Å; R95-E109 IonicContact CZ-OE1 3.3Å; R95-E109 VanDerWaalsContact CZ-OE1 3.3Å; R95-E109 IonicContact CZ-OE2 3.29Å; R95-E109 VanDerWaalsContact CZ-OE2 3.29Å; R95-E109 IonicContact NE-OE1 2.74Å; R95-E109 PolarHBondContact NE-OE1 2.93Å; R95-E109 IonicContact NE-OE2 3Å; R95-E109 PolarHBondContact NE-OE2 3.38Å; R95-E109 IonicContact NH2-OE1 3.23Å; R95-E109 PolarHBondContact NH2-OE1 3.28Å; R95-E109 IonicContact NH2-OE2 2.73Å; R95-E109 PolarHBondContact NH2-OE2 3.05Å |
| 96 | Y | 81 | Confident | 77.2 | Confident | 112 Ų | 112 | 61.2 Ų | 61.2 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | trans | -80.2 | 148.1 | 177.7 | -60 | -81.1 | 0 | 0 | 0 | 112.5 | L84 V94 I106 | L84-Y96 HydrophobicContact CD2-CD1 4.13Å; V94-Y96 HydrophobicContact CB-CE2 3.93Å; V94-Y96 HydrophobicContact CG1-CD1 4.29Å; V94-Y96 HydrophobicContact CG1-CD2 4.48Å; V94-Y96 HydrophobicContact CG1-CE1 3.78Å; V94-Y96 HydrophobicContact CG1-CE2 3.99Å; V94-Y96 WeakPolarHBondContact O-CD2 3.49Å; V94-Y96 WeakPolarHBondContact O-CE2 3.09Å; Y96-I106 HydrophobicContact CD1-CD1 3.96Å; Y96-I106 HydrophobicContact CD1-CG1 4.23Å; Y96-I106 HydrophobicContact CE1-CD1 4.23Å | ||
| 97 | P | 80.7 | Confident | 78.4 | Confident | 27 Ų | 27 | 65.6 Ų | 65.6 | 18% | 0.175 | 36% | 0.363 | C | S | . | . | trans | -71.3 | 153.3 | 167.5 | 33 | -36.7 | 0 | 0 | 0 | 110.8 | E99 W130 | P97-E99 PolarHBondContact O-N 3.17Å; P97-W130 HydrophobicContact CG-CH2 4.34Å | ||
| 98 | K | 76.3 | Confident | 79.8 | Confident | 222 Ų | 222 | 61.1 Ų | 61.1 | 97% | 0.965 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -57.1 | -33.7 | 175.6 | -70.2 | -172.3 | 176.6 | -175.3 | 0 | 112.9 | ||
| 99 | E | 76.4 | Confident | 80.8 | Confident | 118 Ų | 118 | 60.5 Ų | 60.5 | 55% | 0.551 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -135.5 | 135.3 | 171.8 | -64.2 | -178.7 | -161.9 | 0 | 0 | 110 | P97 I101 S104 | P97-E99 PolarHBondContact O-N 3.17Å; E99-I101 HydrophobicContact CB-CG2 4.2Å; E99-I101 PolarHBondContact O-N 2.96Å; E99-S104 WeakPolarHBondContact O-CB 3.44Å; E99-S104 PolarHBondContact O-OG 2.79Å |
| 100 | A | 80.6 | Confident | 81.3 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 3% | 0.033 | 32% | 0.321 | C | S | . | . | trans | -81.2 | 39.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | H81 C82 L84 W130 | H81-A100 CarbonylContact C-O 3.5Å; H81-A100 VanDerWaalsContact CA-O 3.25Å; H81-A100 WeakPolarHBondContact CA-O 3.31Å; C82-A100 PolarHBondContact N-O 2.69Å; L84-A100 HydrophobicContact CD1-CB 4.29Å; L84-A100 HydrophobicContact CD2-CB 3.8Å; L84-A100 HydrophobicContact CG-CB 3.71Å; A100-W130 HydrophobicContact CB-CZ2 4.34Å | ||
| 101 | I | 80.7 | Confident | 81.6 | Confident | 56 Ų | 56 | 60.4 Ų | 60.4 | 29% | 0.287 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -69.6 | 157.4 | 178 | 56.8 | 172.7 | 0 | 0 | 0 | 112.4 | S80 E99 G103 S104 C124 | S80-I101 CarbonylContact O-C 3.46Å; S80-I101 VanDerWaalsContact O-CA 3.24Å; S80-I101 WeakPolarHBondContact O-CA 3.39Å; E99-I101 HydrophobicContact CB-CG2 4.2Å; E99-I101 PolarHBondContact O-N 2.96Å; I101-G103 PolarHBondContact O-N 2.63Å; I101-S104 WeakPolarHBondContact CG1-OG 3.39Å; I101-S104 WeakPolarHBondContact O-CB 3.49Å; I101-S104 PolarHBondContact O-N 3.33Å; I101-S104 PolarHBondContact O-OG 3.02Å; I101-C124 WeakPolarHBondContact O-CB 3.28Å; I101-C124 PolarHBondContact O-SG 2.92Å |
| 102 | V | 75.4 | Confident | 81.4 | Confident | 21 Ų | 21 | 61.8 Ų | 61.8 | 13% | 0.127 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 128.7 | 171.3 | 179.6 | 0 | 0 | 0 | 0 | 110 | I66 I76 S80 C124 Q125 | I66-V102 HydrophobicContact CD1-CB 4.21Å; I66-V102 HydrophobicContact CD1-CG1 3.68Å; I66-V102 HydrophobicContact CG2-CG1 3.77Å; I76-V102 HydrophobicContact CG2-CG2 4.43Å; S80-V102 PolarHBondContact O-N 2.83Å; V102-C124 VanDerWaalsContact CA-SG 3.52Å; V102-Q125 WeakPolarHBondContact CG2-O 3.38Å |
| 103 | G | 72.7 | Confident | 80.8 | Confident | 55 Ų | 55 | 64 Ų | 64 | 57% | 0.567 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.1 | -21.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115 | I101 C124 | I101-G103 PolarHBondContact O-N 2.63Å; G103-C124 PolarHBondContact N-O 3.11Å |
| 104 | S | 82.3 | Confident | 80.3 | Confident | 23 Ų | 23 | 63.8 Ų | 63.8 | 16% | 0.161 | 35% | 0.351 | C | S | . | . | trans | -65 | 153 | 174.1 | -74.8 | 0 | 0 | 0 | 0 | 112 | E99 I101 V123 C124 W130 | E99-S104 WeakPolarHBondContact O-CB 3.44Å; E99-S104 PolarHBondContact O-OG 2.79Å; I101-S104 WeakPolarHBondContact CG1-OG 3.39Å; I101-S104 WeakPolarHBondContact O-CB 3.49Å; I101-S104 PolarHBondContact O-N 3.33Å; I101-S104 PolarHBondContact O-OG 3.02Å; S104-V123 WeakPolarHBondContact O-CA 3.24Å; S104-C124 PolarHBondContact O-N 2.79Å; S104-W130 WeakPolarHBondContact O-CZ3 3.02Å | ||
| 105 | S | 81.9 | Confident | 79.5 | Confident | 27 Ų | 27 | 68.9 Ų | 68.9 | 19% | 0.189 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 136.2 | -179.5 | 70.5 | 0 | 0 | 0 | 0 | 113.8 | R121 R122 | S105-R121 VanDerWaalsContact CB-NE 3.27Å; S105-R121 PolarHBondContact OG-NE 2.8Å; S105-R121 PolarHBondContact OG-NH2 3.41Å; S105-R122 CarbonylContact C-O 3.39Å; S105-R122 WeakPolarHBondContact CA-O 3.21Å; S105-R122 WeakPolarHBondContact CB-O 3.3Å |
| 106 | I | 85.1 | Confident | 79 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 144.2 | 169.5 | -71.5 | 169.9 | 0 | 0 | 0 | 109.4 | I86 V94 R95 Y96 Y108 R121 R122 W130 | I86-I106 HydrophobicContact CD1-CD1 3.7Å; V94-I106 HydrophobicContact CG1-CG2 3.35Å; R95-I106 WeakPolarHBondContact O-CA 3.5Å; Y96-I106 HydrophobicContact CD1-CD1 3.96Å; Y96-I106 HydrophobicContact CD1-CG1 4.23Å; Y96-I106 HydrophobicContact CE1-CD1 4.23Å; I106-Y108 HydrophobicContact CG2-CD2 4.28Å; I106-Y108 HydrophobicContact CG2-CE2 3.84Å; I106-R121 VanDerWaalsContact O-CA 3.26Å; I106-R121 WeakPolarHBondContact O-CA 3.36Å; I106-R121 VanDerWaalsContact O-CG 3.32Å; I106-R121 WeakPolarHBondContact O-CG 3.38Å; I106-R122 PolarHBondContact N-O 2.73Å; I106-R122 PolarHBondContact O-N 3.35Å; I106-W130 HydrophobicContact CB-CZ3 4.32Å; I106-W130 HydrophobicContact CD1-CD2 4.14Å; I106-W130 HydrophobicContact CD1-CE3 4.24Å; I106-W130 HydrophobicContact CD1-CH2 3.63Å; I106-W130 HydrophobicContact CD1-CZ2 3.47Å; I106-W130 VanDerWaalsContact CD1-CZ2 3.47Å; I106-W130 HydrophobicContact CD1-CZ3 4Å; I106-W130 HydrophobicContact CG1-CE3 4.47Å; I106-W130 HydrophobicContact CG1-CH2 3.65Å; I106-W130 HydrophobicContact CG1-CZ2 4.04Å; I106-W130 HydrophobicContact CG1-CZ3 3.88Å |
| 107 | K | 86.3 | Confident | 78.6 | Confident | 111 Ų | 111 | 63.4 Ų | 63.4 | 48% | 0.483 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 150.8 | 169.7 | -60.8 | -178.1 | 176.7 | -175.1 | 0 | 111.3 | R95 A120 R121 | R95-K107 HydrophobicContact CB-CB 4.28Å; R95-K107 PolarHBondContact N-O 3.35Å; R95-K107 PolarHBondContact O-N 3.11Å; R95-K107 VanDerWaalsContact O-N 3.11Å; K107-A120 WeakPolarHBondContact CA-O 3.41Å; K107-R121 HydrophobicContact CG-CG 4.41Å |
| 108 | Y | 86.7 | Confident | 78.1 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 3% | 0.027 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.7 | -179.3 | -65.2 | -93 | 0 | 0 | 0 | 110.8 | L89 V94 I106 A120 R122 P135 | L89-Y108 HydrophobicContact CB-CD1 4.44Å; L89-Y108 HydrophobicContact CD2-CD1 4.11Å; V94-Y108 HydrophobicContact CG1-CD1 4.34Å; V94-Y108 HydrophobicContact CG1-CE1 4.21Å; V94-Y108 HydrophobicContact CG2-CD1 3.86Å; V94-Y108 HydrophobicContact CG2-CE1 3.98Å; I106-Y108 HydrophobicContact CG2-CD2 4.28Å; I106-Y108 HydrophobicContact CG2-CE2 3.84Å; Y108-A120 PolarHBondContact N-O 3.17Å; Y108-R122 HydrophobicContact CE2-CB 4.41Å; Y108-R122 HydrophobicContact CE2-CG 3.86Å; Y108-R122 WeakPolarHBondContact OH-CD 3.49Å; Y108-R122 PolarHBondContact OH-NH1 2.87Å; Y108-P135 HydrophobicContact CD1-CG 3.49Å; Y108-P135 VanDerWaalsContact CD1-CG 3.49Å; Y108-P135 HydrophobicContact CD2-CG 3.73Å; Y108-P135 HydrophobicContact CE1-CG 3.83Å; Y108-P135 HydrophobicContact CE2-CG 4.07Å; Y108-P135 HydrophobicContact CG-CG 3.41Å; Y108-P135 VanDerWaalsContact CG-CG 3.41Å |
| 109 | E | 85.3 | Confident | 78 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 25% | 0.252 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 143.1 | -177 | -75.6 | 161.3 | -148.7 | 0 | 0 | 109.2 | L89 G92 H93 R95 | L89-E109 VanDerWaalsContact CD2-O 3.31Å; L89-E109 WeakPolarHBondContact CD2-O 3.44Å; G92-E109 CarbonylContact C-O 3.48Å; G92-E109 WeakPolarHBondContact CA-O 3.39Å; H93-E109 IonicContact CD2-OE2 3.62Å; H93-E109 IonicContact CE1-OE2 3.8Å; H93-E109 PolarHBondContact N-O 3.38Å; H93-E109 VanDerWaalsContact NE2-CB 3.28Å; H93-E109 WeakPolarHBondContact NE2-CB 3.29Å; H93-E109 IonicContact NE2-OE2 2.8Å; H93-E109 PolarHBondContact NE2-OE2 3.36Å; H93-E109 PolarHBondContact O-N 3.07Å; R95-E109 IonicContact CZ-OE1 3.3Å; R95-E109 VanDerWaalsContact CZ-OE1 3.3Å; R95-E109 IonicContact CZ-OE2 3.29Å; R95-E109 VanDerWaalsContact CZ-OE2 3.29Å; R95-E109 IonicContact NE-OE1 2.74Å; R95-E109 PolarHBondContact NE-OE1 2.93Å; R95-E109 IonicContact NE-OE2 3Å; R95-E109 PolarHBondContact NE-OE2 3.38Å; R95-E109 IonicContact NH2-OE1 3.23Å; R95-E109 PolarHBondContact NH2-OE1 3.28Å; R95-E109 IonicContact NH2-OE2 2.73Å; R95-E109 PolarHBondContact NH2-OE2 3.05Å |
| 110 | C | 83.6 | Confident | 78.3 | Confident | 30 Ų | 30 | 53.2 Ų | 53.2 | 20% | 0.203 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 157.7 | 179.2 | -63.8 | 0 | 0 | 0 | 0 | 112.9 | Y114 R115 L116 C137 | C110-Y114 WeakPolarHBondContact CB-O 3.42Å; C110-R115 VanDerWaalsContact SG-C 3.53Å; C110-L116 WeakPolarHBondContact SG-CA 3.18Å; C110-L116 VanDerWaalsContact SG-CB 3.52Å; C110-L116 WeakPolarHBondContact SG-CD1 3.02Å; C110-L116 PolarHBondContact SG-N 2.85Å; C110-C137 VanDerWaalsContact CA-SG 3.54Å; C110-C137 HydrophobicContact CB-CB 3.9Å; C110-C137 WeakPolarHBondContact CB-SG 3.06Å; C110-C137 WeakPolarHBondContact SG-CB 3.33Å; C110-C137 CovalentContact SG-SG 2.04Å; C110-C137 PolarHBondContact SG-SG 3.4Å |
| 111 | S | 81.2 | Confident | 78.5 | Confident | 51 Ų | 51 | 57.8 Ų | 57.8 | 36% | 0.357 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 157.4 | 169.3 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | N91 G113 Y114 | N91-S111 WeakPolarHBondContact O-CB 3.48Å; N91-S111 PolarHBondContact O-N 2.82Å; N91-S111 PolarHBondContact O-OG 3.24Å; S111-G113 PolarHBondContact O-N 2.89Å; S111-Y114 PolarHBondContact O-N 2.69Å; S111-Y114 VanDerWaalsContact O-N 3.15Å |
| 112 | A | 75.4 | Confident | 78.7 | Confident | 104 Ų | 104 | 56.3 Ų | 56.3 | 86% | 0.86 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 135.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 113 | G | 68.6 | Low | 79.1 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 68% | 0.68 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | -8.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S111 | S111-G113 PolarHBondContact O-N 2.89Š|
| 114 | Y | 75.2 | Confident | 79.6 | Confident | 84 Ų | 84 | 55 Ų | 55 | 33% | 0.329 | 33% | 0.329 | S | S | . | . | trans | -123.8 | 147 | -178.2 | -58 | -99.5 | 0 | 0 | 0 | 112.4 | N91 C110 S111 T138 T139 | N91-Y114 HydrophobicContact CB-CD1 3.54Å; N91-Y114 HydrophobicContact CB-CD2 3.81Å; N91-Y114 HydrophobicContact CB-CE1 3.64Å; N91-Y114 HydrophobicContact CB-CE2 3.91Å; N91-Y114 HydrophobicContact CB-CG 3.64Å; N91-Y114 VanDerWaalsContact CG-CZ 3.48Å; N91-Y114 WeakPolarHBondContact ND2-CE1 3.15Å; C110-Y114 WeakPolarHBondContact CB-O 3.42Å; S111-Y114 PolarHBondContact O-N 2.69Å; S111-Y114 VanDerWaalsContact O-N 3.15Å; Y114-T138 WeakPolarHBondContact CA-O 3.47Å; Y114-T139 HydrophobicContact CD1-CG2 3.82Å; Y114-T139 HydrophobicContact CE1-CG2 3.58Å | ||
| 115 | R | 68.1 | Low | 79.3 | Confident | 129 Ų | 129 | 56 Ų | 56 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 145.1 | 173.9 | -73.3 | -171.9 | -178.7 | 157.4 | 9.6 | 112.3 | C110 C137 T138 K193 S195 | C110-R115 VanDerWaalsContact SG-C 3.53Å; R115-C137 VanDerWaalsContact O-CA 3.29Å; R115-C137 WeakPolarHBondContact O-CA 3.4Å; R115-T138 PolarHBondContact N-O 3.16Å; R115-T138 PolarHBondContact O-N 3.28Å; R115-T138 VanDerWaalsContact O-N 3.09Å; R115-K193 PolarHBondContact NH2-O 3.09Å; R115-S195 PolarHBondContact NH1-OG 3.09Å |
| 116 | L | 76.3 | Confident | 78.7 | Confident | 56 Ų | 56 | 55 Ų | 55 | 29% | 0.293 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 125.7 | -179.8 | -166.1 | 76.6 | 0 | 0 | 0 | 111.3 | L89 C110 A120 P135 S136 | L89-L116 HydrophobicContact CD1-CD1 4.34Å; L89-L116 HydrophobicContact CD2-CD1 3.89Å; C110-L116 WeakPolarHBondContact SG-CA 3.18Å; C110-L116 VanDerWaalsContact SG-CB 3.52Å; C110-L116 WeakPolarHBondContact SG-CD1 3.02Å; C110-L116 PolarHBondContact SG-N 2.85Å; L116-A120 HydrophobicContact CD2-CB 3.78Å; L116-P135 HydrophobicContact CD1-CB 3.99Å; L116-P135 HydrophobicContact CD1-CG 4.37Å; L116-P135 HydrophobicContact CG-CB 4.26Å; L116-S136 CarbonylContact C-O 3.56Å; L116-S136 WeakPolarHBondContact CA-O 3.45Å |
| 117 | V | 72.1 | Confident | 78.1 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 52% | 0.521 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 109.4 | 175.4 | -176.7 | 0 | 0 | 0 | 0 | 108 | P135 S136 | V117-P135 CarbonylContact O-C 3.6Å; V117-P135 VanDerWaalsContact O-CA 3.25Å; V117-P135 WeakPolarHBondContact O-CA 3.4Å; V117-P135 WeakPolarHBondContact O-CB 3.33Å; V117-S136 PolarHBondContact N-O 3.15Å; V117-S136 PolarHBondContact O-N 2.91Å |
| 118 | G | 70.6 | Confident | 77.7 | Confident | 50 Ų | 50 | 59 Ų | 59 | 52% | 0.515 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 122 | -171.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A120 | G118-A120 PolarHBondContact O-N 3.08Š|
| 119 | P | 74.2 | Confident | 77.3 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 31% | 0.312 | 36% | 0.364 | S | S | . | . | trans | -75.2 | 112.6 | -171.9 | 29.3 | -34.2 | 0 | 0 | 0 | 112.6 | R121 W133 | P119-R121 PolarHBondContact O-N 2.92Å; P119-W133 WeakPolarHBondContact CG-O 3.32Å | ||
| 120 | A | 81.5 | Confident | 77.2 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -62.5 | -9.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K107 Y108 L116 G118 | K107-A120 WeakPolarHBondContact CA-O 3.41Å; Y108-A120 PolarHBondContact N-O 3.17Å; L116-A120 HydrophobicContact CD2-CB 3.78Å; G118-A120 PolarHBondContact O-N 3.08Å |
| 121 | R | 85.7 | Confident | 77 | Confident | 99 Ų | 99 | 62.2 Ų | 62.2 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 137.7 | 178.4 | -169.6 | -177.8 | -179.4 | -151.6 | -4.7 | 110.8 | Y28 S105 I106 K107 P119 | Y28-R121 PolarHBondContact OH-NH1 3.31Å; S105-R121 VanDerWaalsContact CB-NE 3.27Å; S105-R121 PolarHBondContact OG-NE 2.8Å; S105-R121 PolarHBondContact OG-NH2 3.41Å; I106-R121 VanDerWaalsContact O-CA 3.26Å; I106-R121 WeakPolarHBondContact O-CA 3.36Å; I106-R121 VanDerWaalsContact O-CG 3.32Å; I106-R121 WeakPolarHBondContact O-CG 3.38Å; K107-R121 HydrophobicContact CG-CG 4.41Å; P119-R121 PolarHBondContact O-N 2.92Å |
| 122 | R | 84.4 | Confident | 76.5 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 9% | 0.094 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 149.6 | 172.7 | -61.6 | 171.6 | 78.5 | -174.8 | 8 | 109.9 | S105 I106 Y108 W130 S131 G132 W133 E134 | S105-R122 CarbonylContact C-O 3.39Å; S105-R122 WeakPolarHBondContact CA-O 3.21Å; S105-R122 WeakPolarHBondContact CB-O 3.3Å; I106-R122 PolarHBondContact N-O 2.73Å; I106-R122 PolarHBondContact O-N 3.35Å; Y108-R122 HydrophobicContact CE2-CB 4.41Å; Y108-R122 HydrophobicContact CE2-CG 3.86Å; Y108-R122 WeakPolarHBondContact OH-CD 3.49Å; Y108-R122 PolarHBondContact OH-NH1 2.87Å; R122-W130 HydrophobicContact CB-CB 4.48Å; R122-W130 HydrophobicContact CB-CE3 4.25Å; R122-S131 WeakPolarHBondContact CB-O 3.39Å; R122-S131 VanDerWaalsContact CG-O 3.27Å; R122-S131 WeakPolarHBondContact CG-O 3.27Å; R122-S131 PolarHBondContact NE-O 3.29Å; R122-G132 PolarHBondContact NE-O 2.74Å; R122-G132 PolarHBondContact NH2-O 3.13Å; R122-W133 WeakPolarHBondContact CD-O 3.34Å; R122-W133 PolarHBondContact NE-O 2.95Å; R122-E134 IonicContact NH1-OE2 3.18Å; R122-E134 PolarHBondContact NH1-OE2 2.04Å |
| 123 | V | 83.8 | Confident | 76.6 | Confident | 46 Ų | 46 | 68.1 Ų | 68.1 | 28% | 0.279 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 139.8 | -174.2 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | S104 W130 S131 | S104-V123 WeakPolarHBondContact O-CA 3.24Å; V123-W130 VanDerWaalsContact C-CE3 3.44Å; V123-S131 PolarHBondContact N-OG 3.25Å; V123-S131 PolarHBondContact O-N 3.29Å |
| 124 | C | 82.7 | Confident | 76.9 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.02 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -76.6 | 119.9 | 177 | 176.4 | 0 | 0 | 0 | 0 | 111 | C82 I101 V102 G103 S104 W130 | C82-C124 HydrophobicContact CB-CB 3.92Å; C82-C124 WeakPolarHBondContact CB-SG 3.24Å; C82-C124 WeakPolarHBondContact SG-CA 3.48Å; C82-C124 WeakPolarHBondContact SG-CB 3.39Å; C82-C124 CovalentContact SG-SG 2.02Å; C82-C124 PolarHBondContact SG-SG 2.79Å; I101-C124 WeakPolarHBondContact O-CB 3.28Å; I101-C124 PolarHBondContact O-SG 2.92Å; V102-C124 VanDerWaalsContact CA-SG 3.52Å; G103-C124 PolarHBondContact N-O 3.11Å; S104-C124 PolarHBondContact O-N 2.79Å; C124-W130 HydrophobicContact CB-CE3 4.18Å; C124-W130 HydrophobicContact CB-CH2 3.92Å; C124-W130 HydrophobicContact CB-CZ2 4.31Å; C124-W130 HydrophobicContact CB-CZ3 3.86Å |
| 125 | Q | 76.5 | Confident | 77.2 | Confident | 45 Ų | 45 | 65.4 Ų | 65.4 | 21% | 0.21 | 34% | 0.34 | C | S | . | . | trans | -98.2 | 167.1 | -173.5 | -63.7 | 179.8 | -51.1 | 0 | 0 | 112.7 | V102 N127 R128 L129 | V102-Q125 WeakPolarHBondContact CG2-O 3.38Å; Q125-N127 VanDerWaalsContact CB-OD1 3.3Å; Q125-N127 WeakPolarHBondContact CB-OD1 3.24Å; Q125-N127 PolarHBondContact O-N 3.1Å; Q125-R128 WeakPolarHBondContact O-CA 3.23Å; Q125-R128 PolarHBondContact O-N 2.98Å; Q125-L129 PolarHBondContact N-O 2.66Å | ||
| 126 | G | 69.7 | Low | 77.7 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 5% | 0.052 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -32.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | C67 R128 | C67-G126 PolarHBondContact O-N 2.87Å; G126-R128 PolarHBondContact O-N 2.92Å |
| 127 | N | 72.4 | Confident | 77.9 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 21% | 0.214 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -2.8 | 173.6 | 64.2 | 6.2 | 0 | 0 | 0 | 114.5 | D68 Q69 Q125 L129 | D68-N127 PolarHBondContact OD1-N 2.92Å; Q69-N127 PolarHBondContact OE1-ND2 2.69Å; Q125-N127 VanDerWaalsContact CB-OD1 3.3Å; Q125-N127 WeakPolarHBondContact CB-OD1 3.24Å; Q125-N127 PolarHBondContact O-N 3.1Å; N127-L129 WeakPolarHBondContact OD1-CB 3.32Å; N127-L129 PolarHBondContact OD1-N 2.93Å |
| 128 | R | 78.2 | Confident | 77.3 | Confident | 154 Ų | 154 | 59.8 Ų | 59.8 | 58% | 0.581 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 69.9 | 22 | -175.1 | -46.4 | 179.2 | -166.6 | 170.3 | 5 | 115.8 | H81 C82 Q125 G126 | H81-R128 WeakPolarHBondContact O-CD 3.3Å; C82-R128 PolarHBondContact SG-O 2.93Å; C82-R128 VanDerWaalsContact SG-O 3.32Å; Q125-R128 WeakPolarHBondContact O-CA 3.23Å; Q125-R128 PolarHBondContact O-N 2.98Å; G126-R128 PolarHBondContact O-N 2.92Å |
| 129 | L | 78.5 | Confident | 76.9 | Confident | 105 Ų | 105 | 62 Ų | 62 | 55% | 0.55 | 33% | 0.329 | S | S | . | . | trans | -105.4 | 159.6 | 173.7 | -59.2 | 176.4 | 0 | 0 | 0 | 111.8 | Q125 N127 | Q125-L129 PolarHBondContact N-O 2.66Å; N127-L129 WeakPolarHBondContact OD1-CB 3.32Å; N127-L129 PolarHBondContact OD1-N 2.93Å | ||
| 130 | W | 82.7 | Confident | 76 | Confident | 23 Ų | 23 | 61.6 Ų | 61.6 | 9% | 0.087 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -89.6 | 129.1 | 173.8 | -70 | 101.3 | 0 | 0 | 0 | 110.7 | C82 S83 I86 P97 A100 S104 I106 R122 V123 C124 G132 | C82-W130 HydrophobicContact CB-CZ2 4.08Å; S83-W130 PolarHBondContact O-NE1 2.68Å; I86-W130 HydrophobicContact CD1-CD2 4.35Å; I86-W130 HydrophobicContact CD1-CG 4.01Å; P97-W130 HydrophobicContact CG-CH2 4.34Å; A100-W130 HydrophobicContact CB-CZ2 4.34Å; S104-W130 WeakPolarHBondContact O-CZ3 3.02Å; I106-W130 HydrophobicContact CB-CZ3 4.32Å; I106-W130 HydrophobicContact CD1-CD2 4.14Å; I106-W130 HydrophobicContact CD1-CE3 4.24Å; I106-W130 HydrophobicContact CD1-CH2 3.63Å; I106-W130 HydrophobicContact CD1-CZ2 3.47Å; I106-W130 VanDerWaalsContact CD1-CZ2 3.47Å; I106-W130 HydrophobicContact CD1-CZ3 4Å; I106-W130 HydrophobicContact CG1-CE3 4.47Å; I106-W130 HydrophobicContact CG1-CH2 3.65Å; I106-W130 HydrophobicContact CG1-CZ2 4.04Å; I106-W130 HydrophobicContact CG1-CZ3 3.88Å; R122-W130 HydrophobicContact CB-CB 4.48Å; R122-W130 HydrophobicContact CB-CE3 4.25Å; V123-W130 VanDerWaalsContact C-CE3 3.44Å; C124-W130 HydrophobicContact CB-CE3 4.18Å; C124-W130 HydrophobicContact CB-CH2 3.92Å; C124-W130 HydrophobicContact CB-CZ2 4.31Å; C124-W130 HydrophobicContact CB-CZ3 3.86Å; W130-G132 PolarHBondContact O-N 2.64Å |
| 131 | S | 78.8 | Confident | 75.4 | Confident | 31 Ų | 31 | 64.5 Ų | 64.5 | 22% | 0.217 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -58.2 | 135.3 | 179.9 | 66.3 | 0 | 0 | 0 | 0 | 112.6 | R122 V123 | R122-S131 WeakPolarHBondContact CB-O 3.39Å; R122-S131 VanDerWaalsContact CG-O 3.27Å; R122-S131 WeakPolarHBondContact CG-O 3.27Å; R122-S131 PolarHBondContact NE-O 3.29Å; V123-S131 PolarHBondContact N-OG 3.25Å; V123-S131 PolarHBondContact O-N 3.29Å |
| 132 | G | 71.4 | Confident | 74.7 | Confident | 55 Ų | 55 | 64.8 Ų | 64.8 | 57% | 0.567 | 34% | 0.339 | S | S | * | . | S | Bend | trans | 72.3 | -175.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R122 W130 | R122-G132 PolarHBondContact NE-O 2.74Å; R122-G132 PolarHBondContact NH2-O 3.13Å; W130-G132 PolarHBondContact O-N 2.64Å |
| 133 | W | 77.8 | Confident | 74.4 | Confident | 224 Ų | 224 | 63.6 Ų | 63.6 | 85% | 0.848 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 173.4 | -176 | -43.4 | 74.4 | 0 | 0 | 0 | 111.7 | P119 R122 | P119-W133 WeakPolarHBondContact CG-O 3.32Å; R122-W133 WeakPolarHBondContact CD-O 3.34Å; R122-W133 PolarHBondContact NE-O 2.95Å |
| 134 | E | 74.7 | Confident | 74.2 | Confident | 88 Ų | 88 | 66.1 Ų | 66.1 | 41% | 0.411 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -95.9 | 133.5 | 178.5 | -160.7 | 149.3 | 143.6 | 0 | 0 | 111.1 | T87 R122 | T87-E134 PolarHBondContact OG1-OE1 3.07Å; T87-E134 VanDerWaalsContact OG1-OE1 3.1Å; R122-E134 IonicContact NH1-OE2 3.18Å; R122-E134 PolarHBondContact NH1-OE2 2.04Å |
| 135 | P | 80.4 | Confident | 74.1 | Confident | 6 Ų | 6 | 71.8 Ų | 71.8 | 4% | 0.039 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 170.1 | 179.5 | 34.1 | -35.6 | 0 | 0 | 0 | 113.3 | L89 Y108 L116 V117 | L89-P135 WeakPolarHBondContact CD1-O 3.44Å; Y108-P135 HydrophobicContact CD1-CG 3.49Å; Y108-P135 VanDerWaalsContact CD1-CG 3.49Å; Y108-P135 HydrophobicContact CD2-CG 3.73Å; Y108-P135 HydrophobicContact CE1-CG 3.83Å; Y108-P135 HydrophobicContact CE2-CG 4.07Å; Y108-P135 HydrophobicContact CG-CG 3.41Å; Y108-P135 VanDerWaalsContact CG-CG 3.41Å; L116-P135 HydrophobicContact CD1-CB 3.99Å; L116-P135 HydrophobicContact CD1-CG 4.37Å; L116-P135 HydrophobicContact CG-CB 4.26Å; V117-P135 CarbonylContact O-C 3.6Å; V117-P135 VanDerWaalsContact O-CA 3.25Å; V117-P135 WeakPolarHBondContact O-CA 3.4Å; V117-P135 WeakPolarHBondContact O-CB 3.33Å |
| 136 | S | 79.5 | Confident | 74.4 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 50% | 0.497 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 164.8 | 179.9 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | L116 V117 | L116-S136 CarbonylContact C-O 3.56Å; L116-S136 WeakPolarHBondContact CA-O 3.45Å; V117-S136 PolarHBondContact N-O 3.15Å; V117-S136 PolarHBondContact O-N 2.91Å |
| 137 | C | 79.7 | Confident | 75.1 | Confident | 10 Ų | 10 | 72.2 Ų | 72.2 | 7% | 0.068 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128 | 178.1 | -62.2 | 0 | 0 | 0 | 0 | 112 | A90 N91 C110 R115 | A90-C137 WeakPolarHBondContact O-CB 3.38Å; N91-C137 HydrophobicContact CB-CB 4.03Å; N91-C137 WeakPolarHBondContact O-CB 3.11Å; N91-C137 PolarHBondContact O-SG 2.79Å; C110-C137 VanDerWaalsContact CA-SG 3.54Å; C110-C137 HydrophobicContact CB-CB 3.9Å; C110-C137 WeakPolarHBondContact CB-SG 3.06Å; C110-C137 WeakPolarHBondContact SG-CB 3.33Å; C110-C137 CovalentContact SG-SG 2.04Å; C110-C137 PolarHBondContact SG-SG 3.4Å; R115-C137 VanDerWaalsContact O-CA 3.29Å; R115-C137 WeakPolarHBondContact O-CA 3.4Å |
| 138 | T | 60.7 | Low | 75.6 | Confident | 72 Ų | 72 | 77.1 Ų | 77.1 | 44% | 0.442 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 156.7 | -172.8 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | Y114 R115 | Y114-T138 WeakPolarHBondContact CA-O 3.47Å; R115-T138 PolarHBondContact N-O 3.16Å; R115-T138 PolarHBondContact O-N 3.28Å; R115-T138 VanDerWaalsContact O-N 3.09Å |
| 139 | T | 60.8 | Low | 75.6 | Confident | 95 Ų | 95 | 72.1 Ų | 72.1 | 58% | 0.583 | 39% | 0.387 | S | S | * | . | trans | -88.3 | 176 | 168.6 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | Y114 | Y114-T139 HydrophobicContact CD1-CG2 3.82Å; Y114-T139 HydrophobicContact CE1-CG2 3.58Å | ||
| 140 | S | 57 | Low | 75.7 | Confident | 41 Ų | 41 | 71.7 Ų | 71.7 | 29% | 0.287 | 39% | 0.39 | S | S | . | . | trans | -117.4 | -12.5 | -146.9 | 36.7 | 0 | 0 | 0 | 0 | 118.4 | G194 S195 A196 | S140-G194 WeakPolarHBondContact CB-O 3.31Å; S140-S195 CarbonylContact O-C 3.58Å; S140-S195 WeakPolarHBondContact O-CA 3.31Å; S140-A196 PolarHBondContact O-N 2.97Å | ||
| 141 | D | 67 | Low | 75.9 | Confident | 117 Ų | 117 | 76.7 Ų | 76.7 | 63% | 0.626 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -96.3 | -5.7 | -145.1 | -50 | -16.5 | 0 | 0 | 0 | 115.8 | ||
| 142 | K | 70.9 | Confident | 76.2 | Confident | 104 Ų | 104 | 76.3 Ų | 76.3 | 45% | 0.452 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -141.8 | 149.9 | 174.2 | -66.3 | -160.3 | 177.7 | -149.9 | 0 | 111.2 | V162 D164 A196 | K142-V162 HydrophobicContact CB-CB 4.24Å; K142-V162 HydrophobicContact CB-CG1 4.47Å; K142-V162 HydrophobicContact CD-CB 4.19Å; K142-V162 HydrophobicContact CD-CG2 4.01Å; K142-D164 WeakPolarHBondContact CE-OD1 3.42Å; K142-D164 IonicContact NZ-OD1 2.66Å; K142-D164 PolarHBondContact NZ-OD1 3.07Å; K142-A196 VanDerWaalsContact C-CB 3.42Å |
| 143 | C | 78.1 | Confident | 77 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.007 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 136.2 | 172.2 | -67.3 | 0 | 0 | 0 | 0 | 109.8 | V162 H163 C189 A196 W198 | C143-V162 CarbonylContact O-C 3.59Å; C143-V162 VanDerWaalsContact O-CA 3.29Å; C143-V162 WeakPolarHBondContact O-CA 3.46Å; C143-H163 HydrophobicContact CB-CB 4.38Å; C143-H163 PolarHBondContact N-O 2.87Å; C143-H163 VanDerWaalsContact N-O 3.14Å; C143-H163 PolarHBondContact O-N 3.18Å; C143-C189 HydrophobicContact CB-CB 3.87Å; C143-C189 WeakPolarHBondContact CB-SG 3.32Å; C143-C189 WeakPolarHBondContact SG-CA 3.17Å; C143-C189 WeakPolarHBondContact SG-CB 3.17Å; C143-C189 CovalentContact SG-SG 2.03Å; C143-C189 PolarHBondContact SG-SG 3.16Å; C143-A196 VanDerWaalsContact SG-C 3.51Å; C143-W198 HydrophobicContact CB-CZ2 4.35Å |
| 144 | T | 79.9 | Confident | 77.4 | Confident | 98 Ų | 98 | 73.2 Ų | 73.2 | 60% | 0.601 | 38% | 0.382 | S | S | * | . | trans | -79.2 | -168.6 | 172.6 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | W198 | T144-W198 PolarHBondContact O-NE1 3.11Š| ||
| 145 | K | 81.8 | Confident | 77.9 | Confident | 123 Ų | 123 | 74.1 Ų | 74.1 | 54% | 0.535 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -48.6 | 138.5 | 176.3 | -174.4 | 179 | 172.8 | -176.4 | 0 | 111.9 | E148 | K145-E148 VanDerWaalsContact CE-OE1 3.24Å; K145-E148 WeakPolarHBondContact CE-OE1 3.27Å; K145-E148 IonicContact NZ-OE1 2.6Å; K145-E148 PolarHBondContact NZ-OE1 3.36Å |
| 146 | P | 83.1 | Confident | 77.8 | Confident | 9 Ų | 9 | 74.8 Ų | 74.8 | 6% | 0.058 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 156.7 | 178.6 | -22.5 | 33.7 | 0 | 0 | 0 | 113.5 | E148 L169 Y171 W198 | P146-E148 PolarHBondContact O-N 2.84Å; P146-L169 HydrophobicContact CB-CD1 3.72Å; P146-L169 HydrophobicContact CG-CD1 3.33Å; P146-Y171 WeakPolarHBondContact CB-OH 3.39Å; P146-W198 HydrophobicContact CB-CZ2 4.35Å; P146-W198 HydrophobicContact CG-CH2 4.47Å; P146-W198 HydrophobicContact CG-CZ2 3.83Å |
| 147 | P | 83 | Confident | 77.5 | Confident | 50 Ų | 50 | 75.7 Ų | 75.7 | 33% | 0.325 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 128.4 | 174.1 | -22.2 | 33.2 | 0 | 0 | 0 | 112.2 | Y171 W198 | P147-Y171 VanDerWaalsContact O-CE1 3.26Å; P147-Y171 WeakPolarHBondContact O-CE1 3.11Å; P147-Y171 PolarHBondContact O-OH 2.81Å; P147-W198 HydrophobicContact CG-CB 4.24Å |
| 148 | E | 82.6 | Confident | 76.7 | Confident | 142 Ų | 142 | 84.7 Ų | 84.7 | 66% | 0.664 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -84.5 | 126.5 | 169.2 | -69.6 | -176.9 | 171.4 | 0 | 0 | 109.7 | K145 P146 | K145-E148 VanDerWaalsContact CE-OE1 3.24Å; K145-E148 WeakPolarHBondContact CE-OE1 3.27Å; K145-E148 IonicContact NZ-OE1 2.6Å; K145-E148 PolarHBondContact NZ-OE1 3.36Å; P146-E148 PolarHBondContact O-N 2.84Å |
| 149 | L | 78.9 | Confident | 76.8 | Confident | 50 Ų | 50 | 85.1 Ų | 85.1 | 26% | 0.262 | 46% | 0.462 | S | S | . | . | trans | -114.2 | 134.5 | -177.8 | -70.8 | -179.8 | 0 | 0 | 0 | 110.9 | Y151 A152 Y171 P201 I203 | L149-Y151 PolarHBondContact O-N 2.71Å; L149-A152 HydrophobicContact CB-CB 3.96Å; L149-A152 PolarHBondContact O-N 2.82Å; L149-A152 VanDerWaalsContact O-N 3.15Å; L149-Y171 HydrophobicContact CD1-CD1 3.94Å; L149-Y171 HydrophobicContact CD1-CE1 4.09Å; L149-Y171 HydrophobicContact CG-CD1 4.44Å; L149-Y171 HydrophobicContact CG-CE1 4.22Å; L149-P201 HydrophobicContact CD1-CB 4.35Å; L149-P201 HydrophobicContact CD1-CG 3.84Å; L149-I203 HydrophobicContact CD1-CG2 3.76Å | ||
| 150 | P | 81.2 | Confident | 77 | Confident | 95 Ų | 95 | 85.2 Ų | 85.2 | 62% | 0.617 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 128.6 | 179.9 | -27.4 | 35.4 | 0 | 0 | 0 | 112.9 | A152 | P150-A152 PolarHBondContact O-N 3.27Å; P150-A152 VanDerWaalsContact O-N 3.14Å |
| 151 | Y | 86.7 | Confident | 77.6 | Confident | 129 Ų | 129 | 87.9 Ų | 87.9 | 51% | 0.506 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 15.8 | 179.3 | -40.9 | -69.8 | 0 | 0 | 0 | 115.7 | L149 T174 Y177 | L149-Y151 PolarHBondContact O-N 2.71Å; Y151-T174 WeakPolarHBondContact O-CB 3.47Å; Y151-T174 WeakPolarHBondContact O-CG2 3.5Å; Y151-T174 PolarHBondContact O-N 3.21Å; Y151-T174 PolarHBondContact O-OG1 2.86Å; Y151-Y177 HydrophobicContact CD1-CD1 4.28Å; Y151-Y177 HydrophobicContact CD1-CD2 4.43Å; Y151-Y177 AromaticContact CD1-CE1 3.6Å; Y151-Y177 HydrophobicContact CD1-CE1 3.6Å; Y151-Y177 AromaticContact CD1-CE2 3.79Å; Y151-Y177 HydrophobicContact CD1-CE2 3.79Å; Y151-Y177 AromaticContact CD1-CZ 3.34Å; Y151-Y177 WeakPolarHBondContact CD1-OH 3.46Å; Y151-Y177 AromaticContact CD2-CD1 3.76Å; Y151-Y177 HydrophobicContact CD2-CD1 3.76Å; Y151-Y177 AromaticContact CD2-CE1 3.43Å; Y151-Y177 HydrophobicContact CD2-CE1 3.43Å; Y151-Y177 VanDerWaalsContact CD2-CE1 3.43Å; Y151-Y177 AromaticContact CE1-CE1 3.93Å; Y151-Y177 HydrophobicContact CE1-CE1 3.93Å; Y151-Y177 HydrophobicContact CE1-CE2 4.44Å; Y151-Y177 AromaticContact CE1-CZ 3.64Å; Y151-Y177 VanDerWaalsContact CE1-OH 3.27Å; Y151-Y177 WeakPolarHBondContact CE1-OH 3.5Å; Y151-Y177 HydrophobicContact CE2-CD1 4.49Å; Y151-Y177 AromaticContact CE2-CE1 3.77Å; Y151-Y177 HydrophobicContact CE2-CE1 3.77Å; Y151-Y177 AromaticContact CG-CD1 3.63Å; Y151-Y177 HydrophobicContact CG-CD1 3.63Å; Y151-Y177 HydrophobicContact CG-CD2 4.3Å; Y151-Y177 AromaticContact CG-CE1 3.33Å; Y151-Y177 HydrophobicContact CG-CE1 3.33Å; Y151-Y177 HydrophobicContact CG-CE2 4.06Å; Y151-Y177 HydrophobicContact CG-CG 4.14Å; Y151-Y177 AromaticContact CG-CZ 3.59Å; Y151-Y177 AromaticContact CZ-CE1 4Å |
| 152 | A | 85.7 | Confident | 78 | Confident | 22 Ų | 22 | 85.5 Ų | 85.5 | 18% | 0.182 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 160.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L149 P150 Y171 E172 | L149-A152 HydrophobicContact CB-CB 3.96Å; L149-A152 PolarHBondContact O-N 2.82Å; L149-A152 VanDerWaalsContact O-N 3.15Å; P150-A152 PolarHBondContact O-N 3.27Å; P150-A152 VanDerWaalsContact O-N 3.14Å; A152-Y171 HydrophobicContact CB-CD1 4.38Å; A152-E172 CarbonylContact C-O 3.41Å; A152-E172 WeakPolarHBondContact CA-O 3.43Å |
| 153 | R | 87.1 | Confident | 78.5 | Confident | 153 Ų | 153 | 81.2 Ų | 81.2 | 58% | 0.577 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150.6 | 174.7 | 63.6 | -179.1 | -173.7 | -180 | 4 | 110.1 | Y171 E172 | R153-Y171 CarbonylContact O-C 3.54Å; R153-Y171 VanDerWaalsContact O-CA 3.24Å; R153-Y171 WeakPolarHBondContact O-CA 3.37Å; R153-E172 HydrophobicContact CG-CB 4.08Å; R153-E172 IonicContact CZ-OE2 3.19Å; R153-E172 PolarHBondContact N-O 2.9Å; R153-E172 IonicContact NE-OE2 2.92Å; R153-E172 PolarHBondContact NE-OE2 3.25Å; R153-E172 IonicContact NH2-OE2 2.66Å; R153-E172 PolarHBondContact NH2-OE2 2.93Å; R153-E172 PolarHBondContact O-N 2.92Å |
| 154 | H | 87 | Confident | 78.7 | Confident | 62 Ų | 62 | 85.6 Ų | 85.6 | 29% | 0.287 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 151.1 | 178.3 | 61.3 | 69.1 | 0 | 0 | 0 | 113.2 | A156 R170 Y171 | H154-A156 VanDerWaalsContact ND1-CB 3.31Å; H154-A156 WeakPolarHBondContact ND1-CB 3.44Å; H154-A156 PolarHBondContact O-N 2.87Å; H154-A156 VanDerWaalsContact O-N 3.1Å; H154-R170 VanDerWaalsContact CA-O 3.31Å; H154-R170 WeakPolarHBondContact CA-O 3.49Å; H154-Y171 HydrophobicContact CB-CD1 3.97Å; H154-Y171 HydrophobicContact CB-CD2 3.66Å; H154-Y171 HydrophobicContact CB-CE1 3.84Å; H154-Y171 HydrophobicContact CB-CE2 3.5Å; H154-Y171 VanDerWaalsContact CB-CE2 3.5Å; H154-Y171 HydrophobicContact CB-CG 3.9Å; H154-Y171 AromaticContact CD2-CE1 3.85Å; H154-Y171 AromaticContact CD2-CZ 3.73Å; H154-Y171 AromaticContact CG-CZ 3.94Å |
| 155 | N | 85.7 | Confident | 78.7 | Confident | 106 Ų | 106 | 83.4 Ų | 83.4 | 57% | 0.567 | 46% | 0.455 | S | S | * | . | trans | -82.9 | 33.6 | -175.6 | 74.8 | -31.9 | 0 | 0 | 0 | 115.2 | L169 R170 | N155-L169 VanDerWaalsContact OD1-CA 3.31Å; N155-L169 WeakPolarHBondContact OD1-CA 3.11Å; N155-R170 PolarHBondContact N-O 3.47Å; N155-R170 VanDerWaalsContact N-O 3.12Å; N155-R170 PolarHBondContact OD1-N 2.04Å; N155-R170 PolarHBondContact OD1-O 3.48Å | ||
| 156 | A | 77.5 | Confident | 78.7 | Confident | 20 Ų | 20 | 82.1 Ų | 82.1 | 17% | 0.165 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 142.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | H154 E158 L169 | H154-A156 VanDerWaalsContact ND1-CB 3.31Å; H154-A156 WeakPolarHBondContact ND1-CB 3.44Å; H154-A156 PolarHBondContact O-N 2.87Å; H154-A156 VanDerWaalsContact O-N 3.1Å; A156-E158 PolarHBondContact O-N 3.2Å; A156-L169 HydrophobicContact CB-CD1 3.93Å; A156-L169 HydrophobicContact CB-CD2 3.62Å; A156-L169 HydrophobicContact CB-CG 4.43Å |
| 157 | S | 73 | Confident | 78.9 | Confident | 91 Ų | 91 | 83.6 Ų | 83.6 | 64% | 0.636 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 125 | 172.2 | -48.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 158 | E | 63.6 | Low | 79.2 | Confident | 199 Ų | 199 | 84.8 Ų | 84.8 | 93% | 0.93 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 138.8 | 179.9 | -62.2 | -173.8 | 146.8 | 0 | 0 | 111.5 | A156 | A156-E158 PolarHBondContact O-N 3.2Š|
| 159 | G | 62.7 | Low | 79.4 | Confident | 81 Ų | 81 | 78.5 Ų | 78.5 | 84% | 0.835 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.2 | -8.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | P161 | G159-P161 WeakPolarHBondContact O-CD 3.23Š|
| 160 | L | 64.9 | Low | 79.9 | Confident | 97 Ų | 97 | 81.5 Ų | 81.5 | 51% | 0.508 | 45% | 0.448 | S | S | . | . | trans | -78.2 | 120.5 | 173.1 | -77.8 | 165.9 | 0 | 0 | 0 | 111.3 | ||||
| 161 | P | 68.7 | Low | 80.3 | Confident | 97 Ų | 97 | 77 Ų | 77 | 63% | 0.63 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -85 | -17 | -177.7 | 33.4 | -35.3 | 0 | 0 | 0 | 113.8 | G159 | G159-P161 WeakPolarHBondContact O-CD 3.23Š|
| 162 | V | 76.5 | Confident | 80.4 | Confident | 66 Ų | 66 | 74.8 Ų | 74.8 | 40% | 0.4 | 41% | 0.413 | S | S | . | . | trans | -139.8 | 150.6 | 178.8 | -69.3 | 0 | 0 | 0 | 0 | 110.2 | K142 C143 | K142-V162 HydrophobicContact CB-CB 4.24Å; K142-V162 HydrophobicContact CB-CG1 4.47Å; K142-V162 HydrophobicContact CD-CB 4.19Å; K142-V162 HydrophobicContact CD-CG2 4.01Å; C143-V162 CarbonylContact O-C 3.59Å; C143-V162 VanDerWaalsContact O-CA 3.29Å; C143-V162 WeakPolarHBondContact O-CA 3.46Å | ||
| 163 | H | 81.2 | Confident | 80.5 | Confident | 15 Ų | 15 | 75 Ų | 75 | 7% | 0.069 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -125.2 | 140.6 | 178.6 | -62.9 | -86.3 | 0 | 0 | 0 | 110.6 | C143 T167 W198 | C143-H163 HydrophobicContact CB-CB 4.38Å; C143-H163 PolarHBondContact N-O 2.87Å; C143-H163 VanDerWaalsContact N-O 3.14Å; C143-H163 PolarHBondContact O-N 3.18Å; H163-T167 HydrophobicContact CB-CG2 4.25Å; H163-W198 HydrophobicContact CB-CH2 4.24Å; H163-W198 HydrophobicContact CB-CZ2 3.74Å; H163-W198 AromaticContact CD2-CZ2 3.69Å; H163-W198 AromaticContact CG-CZ2 3.71Å |
| 164 | D | 82.4 | Confident | 80.5 | Confident | 92 Ų | 92 | 70.1 Ų | 70.1 | 49% | 0.492 | 40% | 0.401 | S | S | . | . | trans | -77.6 | 153.1 | -178.5 | -66.8 | -50.8 | 0 | 0 | 0 | 112 | K142 N166 T167 | K142-D164 WeakPolarHBondContact CE-OD1 3.42Å; K142-D164 IonicContact NZ-OD1 2.66Å; K142-D164 PolarHBondContact NZ-OD1 3.07Å; D164-N166 PolarHBondContact O-N 2.87Å; D164-T167 PolarHBondContact N-OG1 2.83Å; D164-T167 VanDerWaalsContact O-CB 3.31Å; D164-T167 WeakPolarHBondContact O-CB 3.5Å; D164-T167 PolarHBondContact O-N 3.01Å; D164-T167 PolarHBondContact O-OG1 3.5Å | ||
| 165 | V | 79.4 | Confident | 80.5 | Confident | 52 Ų | 52 | 75.8 Ų | 75.8 | 32% | 0.315 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 133.3 | 177.8 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | M191 A196 | V165-M191 HydrophobicContact CB-CG 4.48Å; V165-M191 HydrophobicContact CG1-CG 3.84Å; V165-M191 HydrophobicContact CG2-CG 3.78Å; V165-M191 HydrophobicContact CG2-SD 3.88Å; V165-A196 HydrophobicContact CG2-CB 4.18Å |
| 166 | N | 82.9 | Confident | 80.4 | Confident | 96 Ų | 96 | 71 Ų | 71 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 1 | -168.6 | -56 | -77.8 | 0 | 0 | 0 | 117.5 | D164 V168 K188 C189 | D164-N166 PolarHBondContact O-N 2.87Å; N166-V168 PolarHBondContact O-N 3.48Å; N166-K188 WeakPolarHBondContact OD1-CE 3.36Å; N166-K188 PolarHBondContact OD1-NZ 3.18Å; N166-K188 VanDerWaalsContact OD1-NZ 3.07Å; N166-C189 WeakPolarHBondContact CA-O 3.41Å; N166-C189 PolarHBondContact N-O 3.46Å |
| 167 | T | 87.1 | Confident | 80.9 | Confident | 41 Ų | 41 | 71.5 Ų | 71.5 | 25% | 0.252 | 40% | 0.397 | S | S | . | . | trans | -55.3 | 129.9 | 167.2 | -57.3 | 0 | 0 | 0 | 0 | 110.3 | H163 D164 L169 K188 C189 W198 | H163-T167 HydrophobicContact CB-CG2 4.25Å; D164-T167 PolarHBondContact N-OG1 2.83Å; D164-T167 VanDerWaalsContact O-CB 3.31Å; D164-T167 WeakPolarHBondContact O-CB 3.5Å; D164-T167 PolarHBondContact O-N 3.01Å; D164-T167 PolarHBondContact O-OG1 3.5Å; T167-L169 HydrophobicContact CG2-CD2 4.44Å; T167-K188 WeakPolarHBondContact O-CA 3.05Å; T167-C189 PolarHBondContact O-N 3.43Å; T167-W198 HydrophobicContact CG2-CH2 3.86Å | ||
| 168 | V | 87.6 | Confident | 81.4 | Confident | 75 Ų | 75 | 70.5 Ų | 70.5 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.4 | 176.6 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | N166 L186 A187 K188 | N166-V168 PolarHBondContact O-N 3.48Å; V168-L186 HydrophobicContact CG1-CD2 4.35Å; V168-A187 CarbonylContact C-O 3.5Å; V168-A187 WeakPolarHBondContact CA-O 3.38Å; V168-K188 HydrophobicContact CG2-CB 4.19Å; V168-K188 HydrophobicContact CG2-CD 3.8Å; V168-K188 HydrophobicContact CG2-CG 3.74Å |
| 169 | L | 88.1 | Confident | 82.3 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 5% | 0.047 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 144 | 175.5 | -59.4 | 176 | 0 | 0 | 0 | 110.5 | P146 N155 A156 T167 Y171 L186 A187 W198 | P146-L169 HydrophobicContact CB-CD1 3.72Å; P146-L169 HydrophobicContact CG-CD1 3.33Å; N155-L169 VanDerWaalsContact OD1-CA 3.31Å; N155-L169 WeakPolarHBondContact OD1-CA 3.11Å; A156-L169 HydrophobicContact CB-CD1 3.93Å; A156-L169 HydrophobicContact CB-CD2 3.62Å; A156-L169 HydrophobicContact CB-CG 4.43Å; T167-L169 HydrophobicContact CG2-CD2 4.44Å; L169-Y171 HydrophobicContact CB-CE2 4.15Å; L169-L186 WeakPolarHBondContact O-CA 3.01Å; L169-A187 HydrophobicContact CB-CB 4.41Å; L169-A187 PolarHBondContact N-O 3.04Å; L169-A187 PolarHBondContact O-N 3.35Å; L169-W198 HydrophobicContact CD1-CH2 3.48Å; L169-W198 VanDerWaalsContact CD1-CH2 3.48Å; L169-W198 HydrophobicContact CD1-CZ2 4.02Å; L169-W198 HydrophobicContact CD1-CZ3 3.93Å; L169-W198 HydrophobicContact CG-CH2 3.8Å; L169-W198 HydrophobicContact CG-CZ3 4.04Å |
| 170 | R | 88.8 | Confident | 82.9 | Confident | 113 Ų | 113 | 61.9 Ų | 61.9 | 43% | 0.426 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 136.1 | 171 | 175.3 | -179 | -70.5 | -85.2 | 4.2 | 109.6 | H154 N155 Q185 L186 | H154-R170 VanDerWaalsContact CA-O 3.31Å; H154-R170 WeakPolarHBondContact CA-O 3.49Å; N155-R170 PolarHBondContact N-O 3.47Å; N155-R170 VanDerWaalsContact N-O 3.12Å; N155-R170 PolarHBondContact OD1-N 2.04Å; N155-R170 PolarHBondContact OD1-O 3.48Å; R170-Q185 WeakPolarHBondContact CA-O 3.28Å; R170-L186 HydrophobicContact CB-CD2 4Å; R170-L186 HydrophobicContact CG-CD2 4.45Å |
| 171 | Y | 89.3 | Confident | 83.2 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 0% | 0.004 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 143.9 | 175.5 | -76 | -120.5 | 0 | 0 | 0 | 111 | P146 P147 L149 A152 R153 H154 L169 Q185 A187 P201 | P146-Y171 WeakPolarHBondContact CB-OH 3.39Å; P147-Y171 VanDerWaalsContact O-CE1 3.26Å; P147-Y171 WeakPolarHBondContact O-CE1 3.11Å; P147-Y171 PolarHBondContact O-OH 2.81Å; L149-Y171 HydrophobicContact CD1-CD1 3.94Å; L149-Y171 HydrophobicContact CD1-CE1 4.09Å; L149-Y171 HydrophobicContact CG-CD1 4.44Å; L149-Y171 HydrophobicContact CG-CE1 4.22Å; A152-Y171 HydrophobicContact CB-CD1 4.38Å; R153-Y171 CarbonylContact O-C 3.54Å; R153-Y171 VanDerWaalsContact O-CA 3.24Å; R153-Y171 WeakPolarHBondContact O-CA 3.37Å; H154-Y171 HydrophobicContact CB-CD1 3.97Å; H154-Y171 HydrophobicContact CB-CD2 3.66Å; H154-Y171 HydrophobicContact CB-CE1 3.84Å; H154-Y171 HydrophobicContact CB-CE2 3.5Å; H154-Y171 VanDerWaalsContact CB-CE2 3.5Å; H154-Y171 HydrophobicContact CB-CG 3.9Å; H154-Y171 AromaticContact CD2-CE1 3.85Å; H154-Y171 AromaticContact CD2-CZ 3.73Å; H154-Y171 AromaticContact CG-CZ 3.94Å; L169-Y171 HydrophobicContact CB-CE2 4.15Å; Y171-Q185 PolarHBondContact N-O 3.39Å; Y171-A187 HydrophobicContact CD2-CB 4.46Å; Y171-A187 HydrophobicContact CE2-CB 3.83Å; Y171-P201 HydrophobicContact CD1-CG 3.78Å; Y171-P201 HydrophobicContact CD2-CB 4.37Å; Y171-P201 HydrophobicContact CD2-CG 3.31Å; Y171-P201 HydrophobicContact CE1-CG 3.91Å; Y171-P201 HydrophobicContact CE2-CG 3.48Å; Y171-P201 VanDerWaalsContact CE2-CG 3.48Å; Y171-P201 HydrophobicContact CG-CB 4.4Å; Y171-P201 HydrophobicContact CG-CG 3.46Å; Y171-P201 VanDerWaalsContact CG-CG 3.46Å |
| 172 | E | 88.3 | Confident | 83 | Confident | 82 Ų | 82 | 64 Ų | 64 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 147.1 | 179.1 | -61.6 | 177.5 | 169.1 | 0 | 0 | 110.3 | A152 R153 | A152-E172 CarbonylContact C-O 3.41Å; A152-E172 WeakPolarHBondContact CA-O 3.43Å; R153-E172 HydrophobicContact CG-CB 4.08Å; R153-E172 IonicContact CZ-OE2 3.19Å; R153-E172 PolarHBondContact N-O 2.9Å; R153-E172 IonicContact NE-OE2 2.92Å; R153-E172 PolarHBondContact NE-OE2 3.25Å; R153-E172 IonicContact NH2-OE2 2.66Å; R153-E172 PolarHBondContact NH2-OE2 2.93Å; R153-E172 PolarHBondContact O-N 2.92Å |
| 173 | C | 88.5 | Confident | 82.5 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 19% | 0.189 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 149.2 | 171.8 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | Y177 C205 | C173-Y177 VanDerWaalsContact CB-O 3.29Å; C173-Y177 WeakPolarHBondContact CB-O 3.31Å; C173-C205 WeakPolarHBondContact CA-SG 3.26Å; C173-C205 HydrophobicContact CB-CB 3.82Å; C173-C205 WeakPolarHBondContact CB-SG 3.42Å; C173-C205 VanDerWaalsContact SG-CA 3.5Å; C173-C205 WeakPolarHBondContact SG-CB 3.39Å; C173-C205 CovalentContact SG-SG 2.04Å; C173-C205 PolarHBondContact SG-SG 3.4Å |
| 174 | T | 87.2 | Confident | 82.1 | Confident | 50 Ų | 50 | 68.5 Ų | 68.5 | 31% | 0.307 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 152.8 | 174.9 | 54.6 | 0 | 0 | 0 | 0 | 111.9 | Y151 G176 Y177 | Y151-T174 WeakPolarHBondContact O-CB 3.47Å; Y151-T174 WeakPolarHBondContact O-CG2 3.5Å; Y151-T174 PolarHBondContact O-N 3.21Å; Y151-T174 PolarHBondContact O-OG1 2.86Å; T174-G176 PolarHBondContact O-N 3.3Å; T174-Y177 PolarHBondContact O-N 3.37Å; T174-Y177 WeakPolarHBondContact OG1-CD2 3.32Å |
| 175 | K | 86.2 | Confident | 82.2 | Confident | 181 Ų | 181 | 68 Ų | 68 | 79% | 0.787 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 124.8 | -176.5 | -67.4 | -175.1 | 177.5 | -177 | 0 | 111.4 | ||
| 176 | G | 83.8 | Confident | 82.5 | Confident | 4 Ų | 4 | 69.6 Ų | 69.6 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102.1 | -3.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | T174 R208 N252 | T174-G176 PolarHBondContact O-N 3.3Å; G176-R208 PolarHBondContact O-N 2.8Å; G176-N252 WeakPolarHBondContact CA-O 3.32Å |
| 177 | Y | 88.9 | Confident | 82.7 | Confident | 31 Ų | 31 | 65 Ų | 65 | 12% | 0.122 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.8 | 174.4 | -58.8 | -103.6 | 0 | 0 | 0 | 109.8 | Y151 C173 T174 I206 A207 Y228 | Y151-Y177 HydrophobicContact CD1-CD1 4.28Å; Y151-Y177 HydrophobicContact CD1-CD2 4.43Å; Y151-Y177 AromaticContact CD1-CE1 3.6Å; Y151-Y177 HydrophobicContact CD1-CE1 3.6Å; Y151-Y177 AromaticContact CD1-CE2 3.79Å; Y151-Y177 HydrophobicContact CD1-CE2 3.79Å; Y151-Y177 AromaticContact CD1-CZ 3.34Å; Y151-Y177 WeakPolarHBondContact CD1-OH 3.46Å; Y151-Y177 AromaticContact CD2-CD1 3.76Å; Y151-Y177 HydrophobicContact CD2-CD1 3.76Å; Y151-Y177 AromaticContact CD2-CE1 3.43Å; Y151-Y177 HydrophobicContact CD2-CE1 3.43Å; Y151-Y177 VanDerWaalsContact CD2-CE1 3.43Å; Y151-Y177 AromaticContact CE1-CE1 3.93Å; Y151-Y177 HydrophobicContact CE1-CE1 3.93Å; Y151-Y177 HydrophobicContact CE1-CE2 4.44Å; Y151-Y177 AromaticContact CE1-CZ 3.64Å; Y151-Y177 VanDerWaalsContact CE1-OH 3.27Å; Y151-Y177 WeakPolarHBondContact CE1-OH 3.5Å; Y151-Y177 HydrophobicContact CE2-CD1 4.49Å; Y151-Y177 AromaticContact CE2-CE1 3.77Å; Y151-Y177 HydrophobicContact CE2-CE1 3.77Å; Y151-Y177 AromaticContact CG-CD1 3.63Å; Y151-Y177 HydrophobicContact CG-CD1 3.63Å; Y151-Y177 HydrophobicContact CG-CD2 4.3Å; Y151-Y177 AromaticContact CG-CE1 3.33Å; Y151-Y177 HydrophobicContact CG-CE1 3.33Å; Y151-Y177 HydrophobicContact CG-CE2 4.06Å; Y151-Y177 HydrophobicContact CG-CG 4.14Å; Y151-Y177 AromaticContact CG-CZ 3.59Å; Y151-Y177 AromaticContact CZ-CE1 4Å; C173-Y177 VanDerWaalsContact CB-O 3.29Å; C173-Y177 WeakPolarHBondContact CB-O 3.31Å; T174-Y177 PolarHBondContact O-N 3.37Å; T174-Y177 WeakPolarHBondContact OG1-CD2 3.32Å; Y177-I206 CarbonylContact C-O 3.45Å; Y177-I206 WeakPolarHBondContact CA-O 3.21Å; Y177-A207 VanDerWaalsContact CD1-CA 3.49Å; Y177-A207 HydrophobicContact CD1-CB 3.83Å; Y177-A207 HydrophobicContact CE1-CB 3.58Å; Y177-Y228 HydrophobicContact CD2-CD1 4.49Å; Y177-Y228 AromaticContact CE2-CD1 3.88Å; Y177-Y228 HydrophobicContact CE2-CD1 3.88Å; Y177-Y228 AromaticContact CE2-CE1 3.97Å; Y177-Y228 HydrophobicContact CE2-CE1 3.97Å |
| 178 | D | 84 | Confident | 82.7 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 160.4 | 172.9 | -64.8 | -50 | 0 | 0 | 0 | 110.6 | C205 I206 R208 | D178-C205 CarbonylContact O-C 3.59Å; D178-C205 WeakPolarHBondContact O-CA 3.03Å; D178-I206 PolarHBondContact N-O 2.86Å; D178-I206 PolarHBondContact O-N 3Å; D178-R208 VanDerWaalsContact CG-NE 3.3Å; D178-R208 IonicContact OD1-CZ 3.69Å; D178-R208 IonicContact OD1-NE 2.74Å; D178-R208 PolarHBondContact OD1-NE 3.41Å; D178-R208 VanDerWaalsContact OD1-NE 3.11Å; D178-R208 IonicContact OD1-NH2 3.68Å; D178-R208 PolarHBondContact OD1-NH2 2.88Å; D178-R208 WeakPolarHBondContact OD2-CD 3.28Å; D178-R208 WeakPolarHBondContact OD2-CG 3.08Å; D178-R208 IonicContact OD2-CZ 2.72Å; D178-R208 IonicContact OD2-NE 3.3Å; D178-R208 PolarHBondContact OD2-NE 2.04Å; D178-R208 IonicContact OD2-NH2 3.87Å; D178-R208 PolarHBondContact OD2-NH2 2.88Å |
| 179 | A | 81 | Confident | 82.6 | Confident | 47 Ų | 47 | 63 Ų | 63 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 136.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | I203 | A179-I203 HydrophobicContact CB-CD1 4Å; A179-I203 HydrophobicContact CB-CG1 4.02Å |
| 180 | D | 77 | Confident | 82.4 | Confident | 52 Ų | 52 | 65.2 Ų | 65.2 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | trans | -64.5 | 136.2 | 171.1 | -170.9 | 32.9 | 0 | 0 | 0 | 111.3 | G182 G183 K204 I206 | D180-G182 PolarHBondContact O-N 3.13Å; D180-G183 PolarHBondContact O-N 3.09Å; D180-K204 HydrophobicContact CB-CB 3.81Å; D180-K204 HydrophobicContact CB-CG 4.5Å; D180-K204 WeakPolarHBondContact CB-O 3.4Å; D180-K204 PolarHBondContact N-O 2.91Å; D180-K204 WeakPolarHBondContact OD2-CD 3.01Å; D180-K204 IonicContact OD2-NZ 3.13Å; D180-K204 PolarHBondContact OD2-NZ 2.84Å; D180-I206 HydrophobicContact CB-CD1 3.76Å; D180-I206 HydrophobicContact CB-CG1 4.26Å; D180-I206 WeakPolarHBondContact OD1-CD1 3.17Å | ||
| 181 | D | 69.4 | Low | 82 | Confident | 170 Ų | 170 | 64.4 Ų | 64.4 | 91% | 0.909 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 105.3 | -173.1 | -87.1 | -40.7 | 0 | 0 | 0 | 111.3 | ||
| 182 | G | 65.3 | Low | 81.2 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 71% | 0.711 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 124 | -10.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D180 | D180-G182 PolarHBondContact O-N 3.13Š|
| 183 | G | 65.4 | Low | 80.4 | Confident | 18 Ų | 18 | 71.7 Ų | 71.7 | 19% | 0.186 | 38% | 0.378 | C | S | . | . | trans | -74.1 | 123.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D180 Q185 D202 | D180-G183 PolarHBondContact O-N 3.09Å; G183-Q185 PolarHBondContact O-N 2.83Å; G183-D202 WeakPolarHBondContact CA-O 3.45Å | ||
| 184 | F | 74.3 | Confident | 79.3 | Confident | 158 Ų | 158 | 72.5 Ų | 72.5 | 69% | 0.693 | 39% | 0.391 | S | S | * | . | trans | -70.1 | 121 | 176.1 | -73.5 | -85.9 | 0 | 0 | 0 | 111.6 | L186 P201 D202 I203 | F184-L186 VanDerWaalsContact C-N 3.28Å; F184-L186 PolarHBondContact O-N 2.8Å; F184-P201 WeakPolarHBondContact O-CA 3.47Å; F184-P201 WeakPolarHBondContact O-CB 3.42Å; F184-D202 PolarHBondContact O-N 2.8Å; F184-I203 PolarHBondContact O-N 2.86Å | ||
| 185 | Q | 83.9 | Confident | 78.3 | Confident | 80 Ų | 80 | 70.7 Ų | 70.7 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | trans | -77.3 | -2.1 | -178 | -59.9 | -174.4 | -10.3 | 0 | 0 | 115.2 | R170 Y171 G183 I203 | R170-Q185 WeakPolarHBondContact CA-O 3.28Å; Y171-Q185 PolarHBondContact N-O 3.39Å; G183-Q185 PolarHBondContact O-N 2.83Å; Q185-I203 HydrophobicContact CG-CD1 4.25Å | ||
| 186 | L | 86 | Confident | 77.9 | Confident | 87 Ų | 87 | 62.7 Ų | 62.7 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136 | -172.3 | -62.3 | 177.6 | 0 | 0 | 0 | 111.5 | V168 L169 R170 F184 P201 | V168-L186 HydrophobicContact CG1-CD2 4.35Å; L169-L186 WeakPolarHBondContact O-CA 3.01Å; R170-L186 HydrophobicContact CB-CD2 4Å; R170-L186 HydrophobicContact CG-CD2 4.45Å; F184-L186 VanDerWaalsContact C-N 3.28Å; F184-L186 PolarHBondContact O-N 2.8Å; L186-P201 WeakPolarHBondContact O-CA 3.43Å |
| 187 | A | 86.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | V168 L169 Y171 W198 F199 G200 P201 | V168-A187 CarbonylContact C-O 3.5Å; V168-A187 WeakPolarHBondContact CA-O 3.38Å; L169-A187 HydrophobicContact CB-CB 4.41Å; L169-A187 PolarHBondContact N-O 3.04Å; L169-A187 PolarHBondContact O-N 3.35Å; Y171-A187 HydrophobicContact CD2-CB 4.46Å; Y171-A187 HydrophobicContact CE2-CB 3.83Å; A187-W198 HydrophobicContact CB-CE3 3.88Å; A187-W198 HydrophobicContact CB-CZ3 4.2Å; A187-F199 CarbonylContact C-O 3.53Å; A187-F199 WeakPolarHBondContact CA-O 3.34Å; A187-G200 VanDerWaalsContact CB-O 3.29Å; A187-G200 WeakPolarHBondContact CB-O 3.23Å; A187-P201 HydrophobicContact CB-CG 4.04Å |
| 188 | K | 86.6 | Confident | 77.6 | Confident | 73 Ų | 73 | 66.6 Ų | 66.6 | 32% | 0.317 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128 | 174.3 | -172.5 | 172.6 | -179.2 | -170.2 | 0 | 111.5 | N166 T167 V168 L190 F199 | N166-K188 WeakPolarHBondContact OD1-CE 3.36Å; N166-K188 PolarHBondContact OD1-NZ 3.18Å; N166-K188 VanDerWaalsContact OD1-NZ 3.07Å; T167-K188 WeakPolarHBondContact O-CA 3.05Å; V168-K188 HydrophobicContact CG2-CB 4.19Å; V168-K188 HydrophobicContact CG2-CD 3.8Å; V168-K188 HydrophobicContact CG2-CG 3.74Å; K188-L190 HydrophobicContact CB-CG 4.46Å; K188-L190 HydrophobicContact CD-CD2 3.78Å; K188-L190 HydrophobicContact CD-CG 4.23Å; K188-L190 HydrophobicContact CG-CD2 3.97Å; K188-L190 HydrophobicContact CG-CG 4.01Å; K188-L190 PolarHBondContact O-N 3.39Å; K188-F199 PolarHBondContact N-O 2.85Å; K188-F199 PolarHBondContact O-N 2.78Å |
| 189 | C | 86.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 120.4 | 169.7 | 177.7 | 0 | 0 | 0 | 0 | 109.6 | C143 N166 T167 E197 W198 | C143-C189 HydrophobicContact CB-CB 3.87Å; C143-C189 WeakPolarHBondContact CB-SG 3.32Å; C143-C189 WeakPolarHBondContact SG-CA 3.17Å; C143-C189 WeakPolarHBondContact SG-CB 3.17Å; C143-C189 CovalentContact SG-SG 2.03Å; C143-C189 PolarHBondContact SG-SG 3.16Å; N166-C189 WeakPolarHBondContact CA-O 3.41Å; N166-C189 PolarHBondContact N-O 3.46Å; T167-C189 PolarHBondContact O-N 3.43Å; C189-E197 WeakPolarHBondContact CA-O 3.36Å; C189-W198 HydrophobicContact CB-CD2 4.41Å; C189-W198 HydrophobicContact CB-CE3 4.15Å; C189-W198 HydrophobicContact CB-CH2 4.16Å; C189-W198 HydrophobicContact CB-CZ2 4.43Å; C189-W198 HydrophobicContact CB-CZ3 4.02Å |
| 190 | L | 83.9 | Confident | 77.5 | Confident | 56 Ų | 56 | 66.9 Ų | 66.9 | 29% | 0.293 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 149.6 | -178.9 | -65.6 | 173.6 | 0 | 0 | 0 | 111.2 | K188 H192 A196 E197 F199 | K188-L190 HydrophobicContact CB-CG 4.46Å; K188-L190 HydrophobicContact CD-CD2 3.78Å; K188-L190 HydrophobicContact CD-CG 4.23Å; K188-L190 HydrophobicContact CG-CD2 3.97Å; K188-L190 HydrophobicContact CG-CG 4.01Å; K188-L190 PolarHBondContact O-N 3.39Å; L190-H192 PolarHBondContact O-N 2.87Å; L190-A196 WeakPolarHBondContact O-CA 3.14Å; L190-E197 PolarHBondContact N-O 2.83Å; L190-E197 PolarHBondContact O-N 3.06Å; L190-F199 HydrophobicContact CB-CD2 3.74Å; L190-F199 HydrophobicContact CB-CE2 4.06Å; L190-F199 HydrophobicContact CD1-CB 4.19Å; L190-F199 HydrophobicContact CD1-CD2 4.01Å; L190-F199 HydrophobicContact CD1-CG 4.12Å; L190-F199 HydrophobicContact CG-CD2 4.24Å |
| 191 | M | 79.4 | Confident | 77.5 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 47% | 0.473 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 119 | 168.4 | -71.1 | -63.5 | -74.2 | 0 | 0 | 110.3 | V165 S195 A196 | V165-M191 HydrophobicContact CB-CG 4.48Å; V165-M191 HydrophobicContact CG1-CG 3.84Å; V165-M191 HydrophobicContact CG2-CG 3.78Å; V165-M191 HydrophobicContact CG2-SD 3.88Å; M191-S195 CarbonylContact C-O 3.54Å; M191-S195 WeakPolarHBondContact CA-O 3.03Å; M191-A196 HydrophobicContact SD-CB 3.68Å |
| 192 | H | 73.8 | Confident | 78 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 32% | 0.324 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 120.9 | 173.7 | -172 | 80.1 | 0 | 0 | 0 | 110.2 | L190 G194 S195 F199 | L190-H192 PolarHBondContact O-N 2.87Å; H192-G194 PolarHBondContact O-N 3.12Å; H192-S195 PolarHBondContact N-O 2.64Å; H192-S195 PolarHBondContact O-N 2.85Å; H192-S195 PolarHBondContact O-OG 2.91Å; H192-S195 VanDerWaalsContact O-OG 3.09Å; H192-F199 HydrophobicContact CB-CE2 3.83Å; H192-F199 HydrophobicContact CB-CZ 3.56Å; H192-F199 AromaticContact CG-CZ 3.74Å; H192-F199 AromaticContact ND1-CZ 3.97Å |
| 193 | K | 70.4 | Confident | 78.9 | Confident | 166 Ų | 166 | 58.9 Ų | 58.9 | 72% | 0.722 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 38.8 | 177.8 | -61.6 | 172.4 | -177.1 | 139 | 0 | 113.8 | R115 | R115-K193 PolarHBondContact NH2-O 3.09Š|
| 194 | G | 66.3 | Low | 79.6 | Confident | 45 Ų | 45 | 63.3 Ų | 63.3 | 46% | 0.464 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 0.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | S140 H192 | S140-G194 WeakPolarHBondContact CB-O 3.31Å; H192-G194 PolarHBondContact O-N 3.12Å |
| 195 | S | 65.9 | Low | 80.2 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 141.5 | 175 | 34.4 | 0 | 0 | 0 | 0 | 112.5 | R115 S140 M191 H192 E197 | R115-S195 PolarHBondContact NH1-OG 3.09Å; S140-S195 CarbonylContact O-C 3.58Å; S140-S195 WeakPolarHBondContact O-CA 3.31Å; M191-S195 CarbonylContact C-O 3.54Å; M191-S195 WeakPolarHBondContact CA-O 3.03Å; H192-S195 PolarHBondContact N-O 2.64Å; H192-S195 PolarHBondContact O-N 2.85Å; H192-S195 PolarHBondContact O-OG 2.91Å; H192-S195 VanDerWaalsContact O-OG 3.09Å; S195-E197 WeakPolarHBondContact CB-OE1 3.39Å; S195-E197 PolarHBondContact OG-OE1 2.72Å |
| 196 | A | 76.7 | Confident | 80.2 | Confident | 12 Ų | 12 | 57 Ų | 57 | 10% | 0.099 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 111.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | S140 K142 C143 V165 L190 M191 | S140-A196 PolarHBondContact O-N 2.97Å; K142-A196 VanDerWaalsContact C-CB 3.42Å; C143-A196 VanDerWaalsContact SG-C 3.51Å; V165-A196 HydrophobicContact CG2-CB 4.18Å; L190-A196 WeakPolarHBondContact O-CA 3.14Å; M191-A196 HydrophobicContact SD-CB 3.68Å |
| 197 | E | 82.6 | Confident | 80.2 | Confident | 78 Ų | 78 | 54 Ų | 54 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.9 | -172.3 | -72.2 | 166.8 | -154.4 | 0 | 0 | 111.2 | C189 L190 S195 F199 | C189-E197 WeakPolarHBondContact CA-O 3.36Å; L190-E197 PolarHBondContact N-O 2.83Å; L190-E197 PolarHBondContact O-N 3.06Å; S195-E197 WeakPolarHBondContact CB-OE1 3.39Å; S195-E197 PolarHBondContact OG-OE1 2.72Å; E197-F199 HydrophobicContact CB-CE2 3.86Å; E197-F199 WeakPolarHBondContact O-CD2 3.41Å |
| 198 | W | 85.4 | Confident | 80.2 | Confident | 40 Ų | 40 | 58.1 Ų | 58.1 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 117.7 | 174.6 | -76.9 | 109.5 | 0 | 0 | 0 | 110.7 | C143 T144 P146 P147 H163 T167 L169 A187 C189 | C143-W198 HydrophobicContact CB-CZ2 4.35Å; T144-W198 PolarHBondContact O-NE1 3.11Å; P146-W198 HydrophobicContact CB-CZ2 4.35Å; P146-W198 HydrophobicContact CG-CH2 4.47Å; P146-W198 HydrophobicContact CG-CZ2 3.83Å; P147-W198 HydrophobicContact CG-CB 4.24Å; H163-W198 HydrophobicContact CB-CH2 4.24Å; H163-W198 HydrophobicContact CB-CZ2 3.74Å; H163-W198 AromaticContact CD2-CZ2 3.69Å; H163-W198 AromaticContact CG-CZ2 3.71Å; T167-W198 HydrophobicContact CG2-CH2 3.86Å; L169-W198 HydrophobicContact CD1-CH2 3.48Å; L169-W198 VanDerWaalsContact CD1-CH2 3.48Å; L169-W198 HydrophobicContact CD1-CZ2 4.02Å; L169-W198 HydrophobicContact CD1-CZ3 3.93Å; L169-W198 HydrophobicContact CG-CH2 3.8Å; L169-W198 HydrophobicContact CG-CZ3 4.04Å; A187-W198 HydrophobicContact CB-CE3 3.88Å; A187-W198 HydrophobicContact CB-CZ3 4.2Å; C189-W198 HydrophobicContact CB-CD2 4.41Å; C189-W198 HydrophobicContact CB-CE3 4.15Å; C189-W198 HydrophobicContact CB-CH2 4.16Å; C189-W198 HydrophobicContact CB-CZ2 4.43Å; C189-W198 HydrophobicContact CB-CZ3 4.02Å |
| 199 | F | 84.8 | Confident | 80.3 | Confident | 85 Ų | 85 | 58.3 Ų | 58.3 | 37% | 0.373 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 117.4 | 173.5 | -74 | -95.9 | 0 | 0 | 0 | 110 | A187 K188 L190 H192 E197 | A187-F199 CarbonylContact C-O 3.53Å; A187-F199 WeakPolarHBondContact CA-O 3.34Å; K188-F199 PolarHBondContact N-O 2.85Å; K188-F199 PolarHBondContact O-N 2.78Å; L190-F199 HydrophobicContact CB-CD2 3.74Å; L190-F199 HydrophobicContact CB-CE2 4.06Å; L190-F199 HydrophobicContact CD1-CB 4.19Å; L190-F199 HydrophobicContact CD1-CD2 4.01Å; L190-F199 HydrophobicContact CD1-CG 4.12Å; L190-F199 HydrophobicContact CG-CD2 4.24Å; H192-F199 HydrophobicContact CB-CE2 3.83Å; H192-F199 HydrophobicContact CB-CZ 3.56Å; H192-F199 AromaticContact CG-CZ 3.74Å; H192-F199 AromaticContact ND1-CZ 3.97Å; E197-F199 HydrophobicContact CB-CE2 3.86Å; E197-F199 WeakPolarHBondContact O-CD2 3.41Å |
| 200 | G | 77.2 | Confident | 80.4 | Confident | 37 Ų | 37 | 59 Ų | 59 | 38% | 0.381 | 32% | 0.315 | S | S | . | . | trans | 78.9 | 172.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A187 | A187-G200 VanDerWaalsContact CB-O 3.29Å; A187-G200 WeakPolarHBondContact CB-O 3.23Å | ||
| 201 | P | 77.8 | Confident | 80.5 | Confident | 18 Ų | 18 | 58 Ų | 58 | 12% | 0.117 | 32% | 0.317 | C | S | . | . | cis | -89.2 | 169.4 | 5.1 | 10.5 | 10 | 0 | 0 | 0 | 112.1 | L149 Y171 F184 L186 A187 I203 | L149-P201 HydrophobicContact CD1-CB 4.35Å; L149-P201 HydrophobicContact CD1-CG 3.84Å; Y171-P201 HydrophobicContact CD1-CG 3.78Å; Y171-P201 HydrophobicContact CD2-CB 4.37Å; Y171-P201 HydrophobicContact CD2-CG 3.31Å; Y171-P201 HydrophobicContact CE1-CG 3.91Å; Y171-P201 HydrophobicContact CE2-CG 3.48Å; Y171-P201 VanDerWaalsContact CE2-CG 3.48Å; Y171-P201 HydrophobicContact CG-CB 4.4Å; Y171-P201 HydrophobicContact CG-CG 3.46Å; Y171-P201 VanDerWaalsContact CG-CG 3.46Å; F184-P201 WeakPolarHBondContact O-CA 3.47Å; F184-P201 WeakPolarHBondContact O-CB 3.42Å; L186-P201 WeakPolarHBondContact O-CA 3.43Å; A187-P201 HydrophobicContact CB-CG 4.04Å; P201-I203 HydrophobicContact CB-CG2 4.13Å | ||
| 202 | D | 78.4 | Confident | 80.8 | Confident | 97 Ų | 97 | 58.5 Ų | 58.5 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | trans | -119 | 27.7 | 172.7 | -164.5 | 19.4 | 0 | 0 | 0 | 111.3 | G183 F184 | G183-D202 WeakPolarHBondContact CA-O 3.45Å; F184-D202 PolarHBondContact O-N 2.8Å | ||
| 203 | I | 85.1 | Confident | 81.2 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 5% | 0.046 | 30% | 0.304 | C | S | . | . | trans | -75.9 | 126.5 | 175.4 | -169.1 | -178.1 | 0 | 0 | 0 | 110.4 | L149 A179 F184 Q185 P201 | L149-I203 HydrophobicContact CD1-CG2 3.76Å; A179-I203 HydrophobicContact CB-CD1 4Å; A179-I203 HydrophobicContact CB-CG1 4.02Å; F184-I203 PolarHBondContact O-N 2.86Å; Q185-I203 HydrophobicContact CG-CD1 4.25Å; P201-I203 HydrophobicContact CB-CG2 4.13Å | ||
| 204 | K | 81 | Confident | 81.8 | Confident | 110 Ų | 110 | 48.2 Ų | 48.2 | 48% | 0.478 | 28% | 0.278 | S | S | . | . | trans | -107.7 | 129.9 | 168 | -48.2 | -178.9 | -148.8 | 108 | 0 | 108.2 | D180 | D180-K204 HydrophobicContact CB-CB 3.81Å; D180-K204 HydrophobicContact CB-CG 4.5Å; D180-K204 WeakPolarHBondContact CB-O 3.4Å; D180-K204 PolarHBondContact N-O 2.91Å; D180-K204 WeakPolarHBondContact OD2-CD 3.01Å; D180-K204 IonicContact OD2-NZ 3.13Å; D180-K204 PolarHBondContact OD2-NZ 2.84Å | ||
| 205 | C | 86.8 | Confident | 82.6 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 11% | 0.108 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 107.7 | 179.6 | -66.8 | 0 | 0 | 0 | 0 | 110.1 | C173 D178 | C173-C205 WeakPolarHBondContact CA-SG 3.26Å; C173-C205 HydrophobicContact CB-CB 3.82Å; C173-C205 WeakPolarHBondContact CB-SG 3.42Å; C173-C205 VanDerWaalsContact SG-CA 3.5Å; C173-C205 WeakPolarHBondContact SG-CB 3.39Å; C173-C205 CovalentContact SG-SG 2.04Å; C173-C205 PolarHBondContact SG-SG 3.4Å; D178-C205 CarbonylContact O-C 3.59Å; D178-C205 WeakPolarHBondContact O-CA 3.03Å |
| 206 | I | 84 | Confident | 83.4 | Confident | 91 Ų | 91 | 54.3 Ų | 54.3 | 47% | 0.467 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 130.4 | -175.2 | -58.5 | 178.4 | 0 | 0 | 0 | 109.2 | Y177 D178 D180 R208 | Y177-I206 CarbonylContact C-O 3.45Å; Y177-I206 WeakPolarHBondContact CA-O 3.21Å; D178-I206 PolarHBondContact N-O 2.86Å; D178-I206 PolarHBondContact O-N 3Å; D180-I206 HydrophobicContact CB-CD1 3.76Å; D180-I206 HydrophobicContact CB-CG1 4.26Å; D180-I206 WeakPolarHBondContact OD1-CD1 3.17Å; I206-R208 PolarHBondContact O-N 3.05Å |
| 207 | A | 84.8 | Confident | 83.7 | Confident | 22 Ų | 22 | 60.6 Ų | 60.6 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 132.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y177 S209 T227 Y228 | Y177-A207 VanDerWaalsContact CD1-CA 3.49Å; Y177-A207 HydrophobicContact CD1-CB 3.83Å; Y177-A207 HydrophobicContact CE1-CB 3.58Å; A207-S209 PolarHBondContact O-N 3.46Å; A207-T227 HydrophobicContact CB-CG2 4.37Å; A207-Y228 WeakPolarHBondContact CB-O 3.33Å |
| 208 | R | 87.1 | Confident | 83.9 | Confident | 88 Ų | 88 | 59.4 Ų | 59.4 | 33% | 0.332 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 130.5 | 176.6 | -80 | -172.4 | 177 | -159.3 | 0.8 | 111.1 | G176 D178 I206 T227 Y228 D253 | G176-R208 PolarHBondContact O-N 2.8Å; D178-R208 VanDerWaalsContact CG-NE 3.3Å; D178-R208 IonicContact OD1-CZ 3.69Å; D178-R208 IonicContact OD1-NE 2.74Å; D178-R208 PolarHBondContact OD1-NE 3.41Å; D178-R208 VanDerWaalsContact OD1-NE 3.11Å; D178-R208 IonicContact OD1-NH2 3.68Å; D178-R208 PolarHBondContact OD1-NH2 2.88Å; D178-R208 WeakPolarHBondContact OD2-CD 3.28Å; D178-R208 WeakPolarHBondContact OD2-CG 3.08Å; D178-R208 IonicContact OD2-CZ 2.72Å; D178-R208 IonicContact OD2-NE 3.3Å; D178-R208 PolarHBondContact OD2-NE 2.04Å; D178-R208 IonicContact OD2-NH2 3.87Å; D178-R208 PolarHBondContact OD2-NH2 2.88Å; I206-R208 PolarHBondContact O-N 3.05Å; R208-T227 CarbonylContact O-C 3.49Å; R208-T227 VanDerWaalsContact O-CA 3.23Å; R208-T227 WeakPolarHBondContact O-CA 3.39Å; R208-Y228 PolarHBondContact O-N 3.26Å; R208-D253 PolarHBondContact NH1-O 3.36Å |
| 209 | S | 88.8 | Confident | 84 | Confident | 76 Ų | 76 | 58.5 Ų | 58.5 | 53% | 0.531 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -87.7 | 126.8 | 173.2 | -177.7 | 0 | 0 | 0 | 0 | 110 | A207 G211 | A207-S209 PolarHBondContact O-N 3.46Å; S209-G211 PolarHBondContact O-N 3.18Å; S209-G211 PolarHBondContact OG-N 3.27Å |
| 210 | C | 87.9 | Confident | 84.1 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 11% | 0.108 | 32% | 0.322 | C | S | . | . | trans | -81.8 | 5.4 | 172.1 | -66.3 | 0 | 0 | 0 | 0 | 113.2 | F226 C250 G254 R255 W256 | C210-F226 PolarHBondContact N-O 2.87Å; C210-C250 HydrophobicContact CB-CB 3.82Å; C210-C250 WeakPolarHBondContact CB-SG 3.4Å; C210-C250 WeakPolarHBondContact SG-CA 3.08Å; C210-C250 WeakPolarHBondContact SG-CB 3.23Å; C210-C250 CovalentContact SG-SG 2.03Å; C210-C250 PolarHBondContact SG-SG 3.12Å; C210-G254 WeakPolarHBondContact CA-O 3.43Å; C210-R255 PolarHBondContact SG-N 2.97Å; C210-R255 VanDerWaalsContact SG-N 3.43Å; C210-R255 PolarHBondContact SG-O 3.04Å; C210-R255 VanDerWaalsContact SG-O 3.34Å; C210-W256 HydrophobicContact CB-CD2 3.95Å; C210-W256 HydrophobicContact CB-CG 4.02Å; C210-W256 HydrophobicContact CB-CZ2 4.11Å; C210-W256 PolarHBondContact O-NE1 2.89Å | ||
| 211 | G | 85.5 | Confident | 84.7 | Confident | 33 Ų | 33 | 59.4 Ų | 59.4 | 34% | 0.34 | 32% | 0.316 | S | S | . | . | trans | 69.1 | 178.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S209 P213 W256 | S209-G211 PolarHBondContact O-N 3.18Å; S209-G211 PolarHBondContact OG-N 3.27Å; G211-P213 WeakPolarHBondContact O-CD 3.49Å; G211-W256 PolarHBondContact O-NE1 2.85Å | ||
| 212 | H | 85.7 | Confident | 85 | Confident | 108 Ų | 108 | 62.1 Ų | 62.1 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | trans | -70.6 | 122.1 | 180 | -175.3 | -113 | 0 | 0 | 0 | 110.4 | G214 R221 F226 | H212-G214 PolarHBondContact ND1-N 2.78Å; H212-G214 PolarHBondContact O-N 2.91Å; H212-R221 PolarHBondContact NE2-NH1 2.88Å; H212-F226 AromaticContact CD2-CE2 3.75Å; H212-F226 AromaticContact CD2-CZ 3.78Å | ||
| 213 | P | 83.7 | Confident | 85.1 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.019 | 32% | 0.322 | C | S | . | . | trans | -67 | -10.9 | -177.1 | 26.8 | -34.8 | 0 | 0 | 0 | 113.2 | G211 F226 V232 L248 W256 K260 | G211-P213 WeakPolarHBondContact O-CD 3.49Å; P213-F226 HydrophobicContact CG-CD1 4.23Å; P213-F226 HydrophobicContact CG-CE1 4.13Å; P213-V232 HydrophobicContact CB-CG2 4.1Å; P213-V232 HydrophobicContact CG-CG1 4.28Å; P213-V232 HydrophobicContact CG-CG2 3.97Å; P213-L248 HydrophobicContact CB-CD1 4.23Å; P213-W256 HydrophobicContact CB-CD2 4.12Å; P213-W256 HydrophobicContact CB-CG 4.39Å; P213-W256 HydrophobicContact CB-CZ2 4.14Å; P213-W256 HydrophobicContact CG-CZ2 4.03Å; P213-K260 VanDerWaalsContact O-CE 3.26Å; P213-K260 WeakPolarHBondContact O-CE 3.41Å; P213-K260 PolarHBondContact O-NZ 3.2Å | ||
| 214 | G | 82.8 | Confident | 84.9 | Confident | 16 Ų | 16 | 67 Ų | 67 | 17% | 0.165 | 36% | 0.359 | C | S | . | . | trans | 86.4 | -172.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | H212 Y234 | H212-G214 PolarHBondContact ND1-N 2.78Å; H212-G214 PolarHBondContact O-N 2.91Å; G214-Y234 PolarHBondContact O-OH 2.79Å | ||
| 215 | E | 82.4 | Confident | 85 | Confident | 165 Ų | 165 | 67.7 Ų | 67.7 | 77% | 0.771 | 36% | 0.363 | S | S | * | . | trans | -114.5 | 157.6 | -178.2 | -58.1 | -169.6 | 162.7 | 0 | 0 | 110.5 | ||||
| 216 | V | 83.9 | Confident | 85.2 | Confident | 20 Ų | 20 | 69.1 Ų | 69.1 | 12% | 0.121 | 37% | 0.368 | C | S | . | . | trans | -126.5 | 124.8 | 177.7 | 166.6 | 0 | 0 | 0 | 0 | 106.9 | N218 A219 Y234 K260 P261 | V216-N218 PolarHBondContact O-N 3.11Å; V216-A219 HydrophobicContact CB-CB 3.79Å; V216-A219 HydrophobicContact CG1-CB 3.68Å; V216-A219 WeakPolarHBondContact O-CB 3.31Å; V216-A219 PolarHBondContact O-N 3.33Å; V216-Y234 HydrophobicContact CB-CD1 3.94Å; V216-Y234 HydrophobicContact CB-CE1 4.11Å; V216-Y234 HydrophobicContact CG2-CD1 3.88Å; V216-Y234 HydrophobicContact CG2-CE1 3.77Å; V216-Y234 HydrophobicContact CG2-CG 4.35Å; V216-K260 HydrophobicContact CG2-CB 4.26Å; V216-P261 WeakPolarHBondContact CG1-O 3.25Å; V216-P261 WeakPolarHBondContact CG2-O 3.09Å | ||
| 217 | L | 82.7 | Confident | 85.5 | Confident | 145 Ų | 145 | 67.1 Ų | 67.1 | 76% | 0.759 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 134.3 | -178.3 | -166.1 | 71.9 | 0 | 0 | 0 | 110.3 | A219 C263 | L217-A219 PolarHBondContact O-N 3.37Å; L217-C263 WeakPolarHBondContact O-CB 3.45Å |
| 218 | N | 86 | Confident | 85.5 | Confident | 52 Ų | 52 | 69.2 Ų | 69.2 | 28% | 0.278 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 21.7 | -175.5 | -47.9 | -53.1 | 0 | 0 | 0 | 115.1 | V216 C236 I237 F240 C263 | V216-N218 PolarHBondContact O-N 3.11Å; N218-C236 WeakPolarHBondContact O-CA 3.46Å; N218-I237 WeakPolarHBondContact O-CG1 3.38Å; N218-I237 PolarHBondContact O-N 3.37Å; N218-F240 HydrophobicContact CB-CB 4.31Å; N218-F240 HydrophobicContact CB-CD1 3.71Å; N218-F240 HydrophobicContact CB-CD2 3.8Å; N218-F240 HydrophobicContact CB-CE1 3.95Å; N218-F240 HydrophobicContact CB-CE2 4Å; N218-F240 HydrophobicContact CB-CG 3.66Å; N218-F240 HydrophobicContact CB-CZ 4.08Å; N218-F240 VanDerWaalsContact CG-CE1 3.5Å; N218-F240 VanDerWaalsContact CG-CZ 3.5Å; N218-F240 WeakPolarHBondContact ND2-CE1 3.03Å; N218-C263 HydrophobicContact CB-CB 4.02Å |
| 219 | A | 87.2 | Confident | 85.5 | Confident | 21 Ų | 21 | 68.7 Ų | 68.7 | 17% | 0.174 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 158.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V216 L217 Y234 R235 | V216-A219 HydrophobicContact CB-CB 3.79Å; V216-A219 HydrophobicContact CG1-CB 3.68Å; V216-A219 WeakPolarHBondContact O-CB 3.31Å; V216-A219 PolarHBondContact O-N 3.33Å; L217-A219 PolarHBondContact O-N 3.37Å; A219-Y234 HydrophobicContact CB-CD1 4.22Å; A219-R235 CarbonylContact C-O 3.49Å; A219-R235 WeakPolarHBondContact CA-O 3.49Å |
| 220 | I | 86.9 | Confident | 85.5 | Confident | 72 Ų | 72 | 67.2 Ų | 67.2 | 37% | 0.369 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.3 | 167.1 | -57.4 | 168.8 | 0 | 0 | 0 | 106.9 | L222 Y234 R235 I237 | I220-L222 HydrophobicContact CG2-CD2 4.03Å; I220-Y234 WeakPolarHBondContact O-CA 3.19Å; I220-R235 PolarHBondContact N-O 3.28Å; I220-R235 PolarHBondContact O-N 2.81Å; I220-I237 HydrophobicContact CD1-CG1 4.31Å; I220-I237 HydrophobicContact CG1-CG1 4.04Å |
| 221 | R | 90 | Very high | 85.6 | Confident | 69 Ų | 69 | 69.8 Ų | 69.8 | 26% | 0.26 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 132.5 | 168.8 | -171.1 | -173.1 | 66.9 | -120.8 | -1.5 | 109.5 | H212 G223 V232 Y234 | H212-R221 PolarHBondContact NE2-NH1 2.88Å; R221-G223 PolarHBondContact NE-O 2.87Å; R221-V232 HydrophobicContact CG-CB 4.05Å; R221-V232 HydrophobicContact CG-CG1 4.48Å; R221-Y234 HydrophobicContact CB-CD1 4.06Å; R221-Y234 HydrophobicContact CB-CE1 3.81Å; R221-Y234 HydrophobicContact CG-CD1 4.4Å; R221-Y234 HydrophobicContact CG-CE1 3.99Å |
| 222 | L | 84.5 | Confident | 85.8 | Confident | 76 Ų | 76 | 68.2 Ų | 68.2 | 40% | 0.398 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122 | 173.2 | -53.1 | 174.6 | 0 | 0 | 0 | 107.5 | I220 V232 T233 R235 | I220-L222 HydrophobicContact CG2-CD2 4.03Å; L222-V232 WeakPolarHBondContact O-CA 3.35Å; L222-T233 WeakPolarHBondContact CB-O 3.34Å; L222-T233 PolarHBondContact N-O 2.91Å; L222-T233 PolarHBondContact O-N 3.48Å; L222-R235 HydrophobicContact CD1-CB 4.48Å |
| 223 | G | 80.2 | Confident | 86 | Confident | 34 Ų | 34 | 65.4 Ų | 65.4 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | trans | 117.5 | 126.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R221 | R221-G223 PolarHBondContact NE-O 2.87Š| ||
| 224 | E | 80.8 | Confident | 86.3 | Confident | 175 Ų | 175 | 65.3 Ų | 65.3 | 82% | 0.818 | 35% | 0.347 | S | S | * | . | trans | -116.8 | -12.9 | -175.4 | -62.7 | -178.6 | 165.1 | 0 | 0 | 113 | ||||
| 225 | Q | 84.2 | Confident | 86.6 | Confident | 123 Ų | 123 | 71.2 Ų | 71.2 | 58% | 0.575 | 36% | 0.364 | S | S | * | . | trans | -92.9 | 127.1 | 175.9 | -63.2 | -173.6 | -4.4 | 0 | 0 | 110.2 | N230 | Q225-N230 HydrophobicContact CB-CB 4.13Å; Q225-N230 WeakPolarHBondContact O-CB 3.33Å; Q225-N230 PolarHBondContact OE1-ND2 3.4Å; Q225-N230 VanDerWaalsContact OE1-ND2 3.17Å; Q225-N230 PolarHBondContact OE1-OD1 3.2Å | ||
| 226 | F | 90.4 | Very high | 86.9 | Confident | 46 Ų | 46 | 64 Ų | 64 | 20% | 0.202 | 33% | 0.331 | C | S | . | . | trans | -113.2 | 11.8 | -175.5 | -50.4 | -43 | 0 | 0 | 0 | 113.5 | C210 H212 P213 V232 W256 | C210-F226 PolarHBondContact N-O 2.87Å; H212-F226 AromaticContact CD2-CE2 3.75Å; H212-F226 AromaticContact CD2-CZ 3.78Å; P213-F226 HydrophobicContact CG-CD1 4.23Å; P213-F226 HydrophobicContact CG-CE1 4.13Å; F226-V232 HydrophobicContact CD1-CG1 4.21Å; F226-V232 HydrophobicContact CE1-CG1 4.16Å; F226-W256 HydrophobicContact CB-CZ2 3.92Å; F226-W256 HydrophobicContact CD1-CH2 4.3Å; F226-W256 AromaticContact CD1-CZ2 3.89Å; F226-W256 HydrophobicContact CD1-CZ2 3.89Å; F226-W256 HydrophobicContact CG-CZ2 4.28Å | ||
| 227 | T | 89.2 | Confident | 87 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 30% | 0.301 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -97.8 | 152.4 | 177.6 | 48.1 | 0 | 0 | 0 | 0 | 112 | A207 R208 N230 C250 | A207-T227 HydrophobicContact CB-CG2 4.37Å; R208-T227 CarbonylContact O-C 3.49Å; R208-T227 VanDerWaalsContact O-CA 3.23Å; R208-T227 WeakPolarHBondContact O-CA 3.39Å; T227-N230 WeakPolarHBondContact O-CB 3.49Å; T227-N230 PolarHBondContact O-N 3.39Å; T227-N230 PolarHBondContact O-ND2 3.02Å; T227-C250 VanDerWaalsContact C-SG 3.6Å |
| 228 | Y | 86.5 | Confident | 87 | Confident | 66 Ų | 66 | 66.1 Ų | 66.1 | 26% | 0.259 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 136.8 | 172.2 | 176 | -102.2 | 0 | 0 | 0 | 110.9 | Y177 A207 R208 C250 N252 | Y177-Y228 HydrophobicContact CD2-CD1 4.49Å; Y177-Y228 AromaticContact CE2-CD1 3.88Å; Y177-Y228 HydrophobicContact CE2-CD1 3.88Å; Y177-Y228 AromaticContact CE2-CE1 3.97Å; Y177-Y228 HydrophobicContact CE2-CE1 3.97Å; A207-Y228 WeakPolarHBondContact CB-O 3.33Å; R208-Y228 PolarHBondContact O-N 3.26Å; Y228-C250 WeakPolarHBondContact CD2-O 3.03Å; Y228-C250 PolarHBondContact N-SG 3.15Å; Y228-N252 HydrophobicContact CD2-CB 3.98Å; Y228-N252 HydrophobicContact CE1-CB 4.42Å; Y228-N252 HydrophobicContact CE2-CB 3.67Å; Y228-N252 HydrophobicContact CG-CB 4.5Å |
| 229 | P | 86.3 | Confident | 86.8 | Confident | 77 Ų | 77 | 63.8 Ų | 63.8 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -100.7 | 33.1 | 2.5 | 40.7 | -35.6 | 0 | 0 | 0 | 113.8 | ||
| 230 | N | 88.9 | Confident | 86.8 | Confident | 45 Ų | 45 | 65 Ų | 65 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | trans | -71.2 | 159.5 | -170.9 | -71 | -70.7 | 0 | 0 | 0 | 114.5 | Q225 T227 C250 | Q225-N230 HydrophobicContact CB-CB 4.13Å; Q225-N230 WeakPolarHBondContact O-CB 3.33Å; Q225-N230 PolarHBondContact OE1-ND2 3.4Å; Q225-N230 VanDerWaalsContact OE1-ND2 3.17Å; Q225-N230 PolarHBondContact OE1-OD1 3.2Å; T227-N230 WeakPolarHBondContact O-CB 3.49Å; T227-N230 PolarHBondContact O-N 3.39Å; T227-N230 PolarHBondContact O-ND2 3.02Å; N230-C250 WeakPolarHBondContact O-CB 3.2Å; N230-C250 PolarHBondContact O-N 3.05Å | ||
| 231 | T | 90.5 | Very high | 86.8 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 44% | 0.436 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 154.1 | 176.3 | 62.9 | 0 | 0 | 0 | 0 | 110.8 | L248 T249 | T231-L248 CarbonylContact C-O 3.57Å; T231-L248 VanDerWaalsContact CA-O 3.28Å; T231-L248 WeakPolarHBondContact CA-O 3.12Å; T231-L248 WeakPolarHBondContact CB-O 3.45Å; T231-T249 HydrophobicContact CG2-CG2 4.04Å |
| 232 | V | 89.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.6 | 171.3 | -64.7 | 0 | 0 | 0 | 0 | 109.8 | P213 R221 L222 F226 Y234 T247 L248 W256 | P213-V232 HydrophobicContact CB-CG2 4.1Å; P213-V232 HydrophobicContact CG-CG1 4.28Å; P213-V232 HydrophobicContact CG-CG2 3.97Å; R221-V232 HydrophobicContact CG-CB 4.05Å; R221-V232 HydrophobicContact CG-CG1 4.48Å; L222-V232 WeakPolarHBondContact O-CA 3.35Å; F226-V232 HydrophobicContact CD1-CG1 4.21Å; F226-V232 HydrophobicContact CE1-CG1 4.16Å; V232-Y234 HydrophobicContact CG2-CE2 4.29Å; V232-T247 WeakPolarHBondContact O-CA 3.4Å; V232-L248 HydrophobicContact CG2-CB 3.83Å; V232-L248 HydrophobicContact CG2-CD1 4.46Å; V232-L248 HydrophobicContact CG2-CG 4.43Å; V232-L248 PolarHBondContact N-O 2.91Å; V232-L248 PolarHBondContact O-N 2.83Å; V232-W256 HydrophobicContact CB-CH2 4.5Å; V232-W256 HydrophobicContact CG1-CH2 3.77Å; V232-W256 HydrophobicContact CG1-CZ2 4.48Å; V232-W256 HydrophobicContact CG1-CZ3 4.25Å; V232-W256 HydrophobicContact CG2-CE3 4.3Å; V232-W256 HydrophobicContact CG2-CH2 4.06Å; V232-W256 HydrophobicContact CG2-CZ3 3.84Å |
| 233 | T | 90.2 | Very high | 86.9 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 29% | 0.294 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 122.9 | -178.4 | -51.7 | 0 | 0 | 0 | 0 | 110.6 | L222 S246 T247 | L222-T233 WeakPolarHBondContact CB-O 3.34Å; L222-T233 PolarHBondContact N-O 2.91Å; L222-T233 PolarHBondContact O-N 3.48Å; T233-S246 CarbonylContact C-O 3.48Å; T233-S246 WeakPolarHBondContact CA-O 3.47Å; T233-T247 HydrophobicContact CG2-CG2 4.08Å |
| 234 | Y | 89.8 | Confident | 87.2 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.008 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 136.1 | 171.4 | -65.3 | -87.8 | 0 | 0 | 0 | 110.8 | G214 V216 A219 I220 R221 V232 L242 S246 L248 P261 | G214-Y234 PolarHBondContact O-OH 2.79Å; V216-Y234 HydrophobicContact CB-CD1 3.94Å; V216-Y234 HydrophobicContact CB-CE1 4.11Å; V216-Y234 HydrophobicContact CG2-CD1 3.88Å; V216-Y234 HydrophobicContact CG2-CE1 3.77Å; V216-Y234 HydrophobicContact CG2-CG 4.35Å; A219-Y234 HydrophobicContact CB-CD1 4.22Å; I220-Y234 WeakPolarHBondContact O-CA 3.19Å; R221-Y234 HydrophobicContact CB-CD1 4.06Å; R221-Y234 HydrophobicContact CB-CE1 3.81Å; R221-Y234 HydrophobicContact CG-CD1 4.4Å; R221-Y234 HydrophobicContact CG-CE1 3.99Å; V232-Y234 HydrophobicContact CG2-CE2 4.29Å; Y234-L242 VanDerWaalsContact O-CD1 3.3Å; Y234-L242 WeakPolarHBondContact O-CD1 3.27Å; Y234-S246 PolarHBondContact N-O 2.95Å; Y234-L248 HydrophobicContact CE2-CD1 3.92Å; Y234-L248 HydrophobicContact CE2-CG 4.25Å; Y234-P261 HydrophobicContact CD2-CG 3.93Å; Y234-P261 HydrophobicContact CG-CG 4Å |
| 235 | R | 89.2 | Confident | 87.4 | Confident | 139 Ų | 139 | 66.9 Ų | 66.9 | 53% | 0.525 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 126.2 | 171.6 | -173 | -173.1 | 71.7 | -153.8 | -1.4 | 109.2 | A219 I220 L222 | A219-R235 CarbonylContact C-O 3.49Å; A219-R235 WeakPolarHBondContact CA-O 3.49Å; I220-R235 PolarHBondContact N-O 3.28Å; I220-R235 PolarHBondContact O-N 2.81Å; L222-R235 HydrophobicContact CD1-CB 4.48Å |
| 236 | C | 88.8 | Confident | 87.5 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 10% | 0.095 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 153.9 | 175.5 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | N218 F240 Y241 L242 C263 | N218-C236 WeakPolarHBondContact O-CA 3.46Å; C236-F240 HydrophobicContact CB-CB 4.02Å; C236-F240 WeakPolarHBondContact CB-O 3.33Å; C236-Y241 VanDerWaalsContact SG-C 3.54Å; C236-L242 WeakPolarHBondContact SG-CA 3.26Å; C236-L242 VanDerWaalsContact SG-CB 3.51Å; C236-L242 PolarHBondContact SG-N 3.23Å; C236-L242 VanDerWaalsContact SG-N 3.41Å; C236-C263 WeakPolarHBondContact CA-SG 3.44Å; C236-C263 HydrophobicContact CB-CB 3.88Å; C236-C263 WeakPolarHBondContact CB-SG 3.49Å; C236-C263 VanDerWaalsContact SG-CA 3.55Å; C236-C263 WeakPolarHBondContact SG-CB 3.19Å; C236-C263 CovalentContact SG-SG 2.03Å; C236-C263 PolarHBondContact SG-SG 2.99Å |
| 237 | I | 85.9 | Confident | 87.4 | Confident | 79 Ų | 79 | 64.1 Ų | 64.1 | 41% | 0.405 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 146.6 | 172 | -60.3 | 174 | 0 | 0 | 0 | 109 | N218 I220 G239 F240 | N218-I237 WeakPolarHBondContact O-CG1 3.38Å; N218-I237 PolarHBondContact O-N 3.37Å; I220-I237 HydrophobicContact CD1-CG1 4.31Å; I220-I237 HydrophobicContact CG1-CG1 4.04Å; I237-G239 PolarHBondContact O-N 2.88Å; I237-F240 PolarHBondContact O-N 2.99Å |
| 238 | D | 83 | Confident | 87.5 | Confident | 131 Ų | 131 | 61.9 Ų | 61.9 | 70% | 0.701 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 122.9 | 178.5 | -70.8 | 0.8 | 0 | 0 | 0 | 111.3 | F286 | D238-F286 WeakPolarHBondContact O-CE1 3.33Š|
| 239 | G | 80.6 | Confident | 87.6 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 105.7 | -10.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I237 I266 F286 | I237-G239 PolarHBondContact O-N 2.88Å; G239-I266 WeakPolarHBondContact O-CB 3.45Å; G239-I266 WeakPolarHBondContact O-CG1 3.19Å; G239-I266 PolarHBondContact O-N 3.23Å; G239-F286 WeakPolarHBondContact O-CB 3.48Å |
| 240 | F | 88.7 | Confident | 87.8 | Confident | 47 Ų | 47 | 58 Ų | 58 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 145.2 | 172.4 | -63.2 | -98.9 | 0 | 0 | 0 | 110.8 | N218 C236 I237 C263 K264 P265 F286 | N218-F240 HydrophobicContact CB-CB 4.31Å; N218-F240 HydrophobicContact CB-CD1 3.71Å; N218-F240 HydrophobicContact CB-CD2 3.8Å; N218-F240 HydrophobicContact CB-CE1 3.95Å; N218-F240 HydrophobicContact CB-CE2 4Å; N218-F240 HydrophobicContact CB-CG 3.66Å; N218-F240 HydrophobicContact CB-CZ 4.08Å; N218-F240 VanDerWaalsContact CG-CE1 3.5Å; N218-F240 VanDerWaalsContact CG-CZ 3.5Å; N218-F240 WeakPolarHBondContact ND2-CE1 3.03Å; C236-F240 HydrophobicContact CB-CB 4.02Å; C236-F240 WeakPolarHBondContact CB-O 3.33Å; I237-F240 PolarHBondContact O-N 2.99Å; F240-C263 HydrophobicContact CB-CB 4.04Å; F240-K264 CarbonylContact C-O 3.59Å; F240-K264 WeakPolarHBondContact CA-O 3.41Å; F240-K264 WeakPolarHBondContact CB-O 3.48Å; F240-P265 HydrophobicContact CD1-CB 4.2Å; F240-P265 HydrophobicContact CE1-CB 3.98Å; F240-F286 HydrophobicContact CD2-CD1 4.44Å; F240-F286 HydrophobicContact CE2-CD1 4.01Å; F240-F286 HydrophobicContact CE2-CE1 4.38Å |
| 241 | Y | 86.3 | Confident | 87.9 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 29% | 0.29 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 145.7 | 175.3 | 74.9 | -90 | 0 | 0 | 0 | 111.4 | C236 R243 C263 K264 P265 I266 | C236-Y241 VanDerWaalsContact SG-C 3.54Å; Y241-R243 HydrophobicContact CE2-CB 4.45Å; Y241-C263 WeakPolarHBondContact O-CA 3.31Å; Y241-K264 HydrophobicContact CD1-CB 4.24Å; Y241-K264 WeakPolarHBondContact CD1-O 3.18Å; Y241-K264 HydrophobicContact CE1-CB 3.67Å; Y241-K264 HydrophobicContact CE2-CB 4.3Å; Y241-K264 PolarHBondContact N-O 3.41Å; Y241-K264 PolarHBondContact O-N 2.95Å; Y241-P265 VanDerWaalsContact CE1-O 3.26Å; Y241-P265 WeakPolarHBondContact CE1-O 3.37Å; Y241-I266 HydrophobicContact CD1-CG1 4.27Å |
| 242 | L | 86.6 | Confident | 87.7 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 30% | 0.304 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 131.6 | -176.6 | -165.4 | 141.1 | 0 | 0 | 0 | 110.9 | Y234 C236 G244 P261 | Y234-L242 VanDerWaalsContact O-CD1 3.3Å; Y234-L242 WeakPolarHBondContact O-CD1 3.27Å; C236-L242 WeakPolarHBondContact SG-CA 3.26Å; C236-L242 VanDerWaalsContact SG-CB 3.51Å; C236-L242 PolarHBondContact SG-N 3.23Å; C236-L242 VanDerWaalsContact SG-N 3.41Å; L242-G244 VanDerWaalsContact CD2-O 3.24Å; L242-G244 WeakPolarHBondContact CD2-O 3.4Å; L242-P261 HydrophobicContact CD1-CB 4.11Å; L242-P261 HydrophobicContact CD1-CG 4.3Å; L242-P261 HydrophobicContact CD2-CB 3.89Å; L242-P261 HydrophobicContact CG-CB 3.92Å |
| 243 | R | 89.4 | Confident | 87.7 | Confident | 151 Ų | 151 | 60.3 Ų | 60.3 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 115.8 | 173.8 | 175.6 | 177.9 | 174.1 | 148.1 | -1.7 | 109.3 | Y241 T262 | Y241-R243 HydrophobicContact CE2-CB 4.45Å; R243-T262 PolarHBondContact N-O 2.03Å; R243-T262 PolarHBondContact O-N 2.79Å; R243-T262 PolarHBondContact O-OG1 2.91Å |
| 244 | G | 85.9 | Confident | 87.4 | Confident | 58 Ų | 58 | 59 Ų | 59 | 60% | 0.598 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 122.7 | -174.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L242 | L242-G244 VanDerWaalsContact CD2-O 3.24Å; L242-G244 WeakPolarHBondContact CD2-O 3.4Å |
| 245 | L | 85.7 | Confident | 87.4 | Confident | 123 Ų | 123 | 67.5 Ų | 67.5 | 64% | 0.644 | 35% | 0.348 | S | S | * | . | trans | -80 | 138 | 169.1 | -67.2 | 172.7 | 0 | 0 | 0 | 109.5 | T247 P261 | L245-T247 VanDerWaalsContact C-N 3.34Å; L245-P261 VanDerWaalsContact O-CB 3.31Å; L245-P261 WeakPolarHBondContact O-CB 3.37Å; L245-P261 WeakPolarHBondContact O-CD 2.98Å; L245-P261 VanDerWaalsContact O-CG 3.29Å; L245-P261 WeakPolarHBondContact O-CG 3.23Å | ||
| 246 | S | 86.8 | Confident | 87.4 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 34% | 0.343 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -76.7 | -20.6 | 179.7 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | T233 Y234 | T233-S246 CarbonylContact C-O 3.48Å; T233-S246 WeakPolarHBondContact CA-O 3.47Å; Y234-S246 PolarHBondContact N-O 2.95Å |
| 247 | T | 88.7 | Confident | 87.4 | Confident | 62 Ų | 62 | 66.6 Ų | 66.6 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.1 | -170.6 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | V232 T233 L245 | V232-T247 WeakPolarHBondContact O-CA 3.4Å; T233-T247 HydrophobicContact CG2-CG2 4.08Å; L245-T247 VanDerWaalsContact C-N 3.34Å |
| 248 | L | 89.8 | Confident | 87.3 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 142.5 | 163.7 | -56.1 | -179.4 | 0 | 0 | 0 | 109.8 | P213 T231 V232 Y234 W256 V257 G258 K260 | P213-L248 HydrophobicContact CB-CD1 4.23Å; T231-L248 CarbonylContact C-O 3.57Å; T231-L248 VanDerWaalsContact CA-O 3.28Å; T231-L248 WeakPolarHBondContact CA-O 3.12Å; T231-L248 WeakPolarHBondContact CB-O 3.45Å; V232-L248 HydrophobicContact CG2-CB 3.83Å; V232-L248 HydrophobicContact CG2-CD1 4.46Å; V232-L248 HydrophobicContact CG2-CG 4.43Å; V232-L248 PolarHBondContact N-O 2.91Å; V232-L248 PolarHBondContact O-N 2.83Å; Y234-L248 HydrophobicContact CE2-CD1 3.92Å; Y234-L248 HydrophobicContact CE2-CG 4.25Å; L248-W256 HydrophobicContact CB-CD2 4.49Å; L248-W256 HydrophobicContact CB-CE3 3.76Å; L248-W256 HydrophobicContact CB-CZ3 4.38Å; L248-V257 WeakPolarHBondContact CA-O 3.24Å; L248-G258 VanDerWaalsContact CD2-C 3.42Å; L248-G258 WeakPolarHBondContact CD2-O 3.39Å; L248-K260 HydrophobicContact CD1-CG 4.41Å |
| 249 | T | 90.3 | Very high | 87.4 | Confident | 61 Ų | 61 | 66.7 Ų | 66.7 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.5 | -178.7 | -59.9 | 0 | 0 | 0 | 0 | 110.6 | T231 A251 W256 V257 | T231-T249 HydrophobicContact CG2-CG2 4.04Å; T249-A251 PolarHBondContact O-N 2.85Å; T249-W256 VanDerWaalsContact C-CE3 3.49Å; T249-W256 WeakPolarHBondContact O-CA 3.4Å; T249-V257 PolarHBondContact N-O 3.43Å; T249-V257 VanDerWaalsContact N-O 3.13Å; T249-V257 PolarHBondContact O-N 3.21Å |
| 250 | C | 90.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.007 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 116.1 | 172.3 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | C210 T227 Y228 N230 W256 | C210-C250 HydrophobicContact CB-CB 3.82Å; C210-C250 WeakPolarHBondContact CB-SG 3.4Å; C210-C250 WeakPolarHBondContact SG-CA 3.08Å; C210-C250 WeakPolarHBondContact SG-CB 3.23Å; C210-C250 CovalentContact SG-SG 2.03Å; C210-C250 PolarHBondContact SG-SG 3.12Å; T227-C250 VanDerWaalsContact C-SG 3.6Å; Y228-C250 WeakPolarHBondContact CD2-O 3.03Å; Y228-C250 PolarHBondContact N-SG 3.15Å; N230-C250 WeakPolarHBondContact O-CB 3.2Å; N230-C250 PolarHBondContact O-N 3.05Å; C250-W256 HydrophobicContact CB-CE3 4.13Å; C250-W256 HydrophobicContact CB-CH2 3.99Å; C250-W256 HydrophobicContact CB-CZ2 4.46Å; C250-W256 HydrophobicContact CB-CZ3 3.81Å |
| 251 | A | 89.5 | Confident | 87.5 | Confident | 20 Ų | 20 | 70.2 Ų | 70.2 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | trans | -86.7 | 165 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T249 D253 G254 R255 V257 | T249-A251 PolarHBondContact O-N 2.85Å; A251-D253 WeakPolarHBondContact CB-OD1 3.02Å; A251-D253 PolarHBondContact O-N 3.21Å; A251-G254 PolarHBondContact O-N 2.7Å; A251-G254 VanDerWaalsContact O-N 3.09Å; A251-R255 PolarHBondContact N-O 3Å; A251-V257 HydrophobicContact CB-CG2 3.7Å | ||
| 252 | N | 87.6 | Confident | 87.6 | Confident | 76 Ų | 76 | 69.9 Ų | 69.9 | 41% | 0.406 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -4.8 | -176.4 | 64.9 | -5.5 | 0 | 0 | 0 | 114.5 | G176 Y228 | G176-N252 WeakPolarHBondContact CA-O 3.32Å; Y228-N252 HydrophobicContact CD2-CB 3.98Å; Y228-N252 HydrophobicContact CE1-CB 4.42Å; Y228-N252 HydrophobicContact CE2-CB 3.67Å; Y228-N252 HydrophobicContact CG-CB 4.5Å |
| 253 | D | 88.1 | Confident | 87.7 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -20.6 | 170.1 | 70.7 | -25.3 | 0 | 0 | 0 | 112.6 | R208 A251 R255 | R208-D253 PolarHBondContact NH1-O 3.36Å; A251-D253 WeakPolarHBondContact CB-OD1 3.02Å; A251-D253 PolarHBondContact O-N 3.21Å; D253-R255 WeakPolarHBondContact OD1-CB 3.41Å; D253-R255 PolarHBondContact OD1-N 2.82Å; D253-R255 VanDerWaalsContact OD2-CD 3.25Å; D253-R255 WeakPolarHBondContact OD2-CD 3.49Å; D253-R255 WeakPolarHBondContact OD2-CG 3.34Å; D253-R255 IonicContact OD2-NE 3.29Å; D253-R255 IonicContact OD2-NH1 3.03Å |
| 254 | G | 84.4 | Confident | 87.5 | Confident | 20 Ų | 20 | 65 Ų | 65 | 21% | 0.206 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 98.7 | 23.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | C210 A251 | C210-G254 WeakPolarHBondContact CA-O 3.43Å; A251-G254 PolarHBondContact O-N 2.7Å; A251-G254 VanDerWaalsContact O-N 3.09Å |
| 255 | R | 90.2 | Very high | 87.4 | Confident | 180 Ų | 180 | 64.2 Ų | 64.2 | 68% | 0.679 | 35% | 0.345 | S | S | * | . | trans | -121.1 | 149.9 | 176.7 | -61.6 | -176.2 | 177.5 | 149.3 | -6.6 | 113.2 | C210 A251 D253 | C210-R255 PolarHBondContact SG-N 2.97Å; C210-R255 VanDerWaalsContact SG-N 3.43Å; C210-R255 PolarHBondContact SG-O 3.04Å; C210-R255 VanDerWaalsContact SG-O 3.34Å; A251-R255 PolarHBondContact N-O 3Å; D253-R255 WeakPolarHBondContact OD1-CB 3.41Å; D253-R255 PolarHBondContact OD1-N 2.82Å; D253-R255 VanDerWaalsContact OD2-CD 3.25Å; D253-R255 WeakPolarHBondContact OD2-CD 3.49Å; D253-R255 WeakPolarHBondContact OD2-CG 3.34Å; D253-R255 IonicContact OD2-NE 3.29Å; D253-R255 IonicContact OD2-NH1 3.03Å | ||
| 256 | W | 88.9 | Confident | 87.4 | Confident | 47 Ų | 47 | 59 Ų | 59 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 123.6 | 169.8 | -71.5 | 104.7 | 0 | 0 | 0 | 110.6 | C210 G211 P213 F226 V232 L248 T249 C250 | C210-W256 HydrophobicContact CB-CD2 3.95Å; C210-W256 HydrophobicContact CB-CG 4.02Å; C210-W256 HydrophobicContact CB-CZ2 4.11Å; C210-W256 PolarHBondContact O-NE1 2.89Å; G211-W256 PolarHBondContact O-NE1 2.85Å; P213-W256 HydrophobicContact CB-CD2 4.12Å; P213-W256 HydrophobicContact CB-CG 4.39Å; P213-W256 HydrophobicContact CB-CZ2 4.14Å; P213-W256 HydrophobicContact CG-CZ2 4.03Å; F226-W256 HydrophobicContact CB-CZ2 3.92Å; F226-W256 HydrophobicContact CD1-CH2 4.3Å; F226-W256 AromaticContact CD1-CZ2 3.89Å; F226-W256 HydrophobicContact CD1-CZ2 3.89Å; F226-W256 HydrophobicContact CG-CZ2 4.28Å; V232-W256 HydrophobicContact CB-CH2 4.5Å; V232-W256 HydrophobicContact CG1-CH2 3.77Å; V232-W256 HydrophobicContact CG1-CZ2 4.48Å; V232-W256 HydrophobicContact CG1-CZ3 4.25Å; V232-W256 HydrophobicContact CG2-CE3 4.3Å; V232-W256 HydrophobicContact CG2-CH2 4.06Å; V232-W256 HydrophobicContact CG2-CZ3 3.84Å; L248-W256 HydrophobicContact CB-CD2 4.49Å; L248-W256 HydrophobicContact CB-CE3 3.76Å; L248-W256 HydrophobicContact CB-CZ3 4.38Å; T249-W256 VanDerWaalsContact C-CE3 3.49Å; T249-W256 WeakPolarHBondContact O-CA 3.4Å; C250-W256 HydrophobicContact CB-CE3 4.13Å; C250-W256 HydrophobicContact CB-CH2 3.99Å; C250-W256 HydrophobicContact CB-CZ2 4.46Å; C250-W256 HydrophobicContact CB-CZ3 3.81Å |
| 257 | V | 89.7 | Confident | 87.4 | Confident | 87 Ų | 87 | 62.1 Ų | 62.1 | 53% | 0.527 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 126.8 | 173.8 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | L248 T249 A251 | L248-V257 WeakPolarHBondContact CA-O 3.24Å; T249-V257 PolarHBondContact N-O 3.43Å; T249-V257 VanDerWaalsContact N-O 3.13Å; T249-V257 PolarHBondContact O-N 3.21Å; A251-V257 HydrophobicContact CB-CG2 3.7Å |
| 258 | G | 83.2 | Confident | 87.4 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 44% | 0.443 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 117.4 | 155.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L248 | L248-G258 VanDerWaalsContact CD2-C 3.42Å; L248-G258 WeakPolarHBondContact CD2-O 3.39Å |
| 259 | E | 85.3 | Confident | 87.3 | Confident | 169 Ų | 169 | 63.7 Ų | 63.7 | 79% | 0.79 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -85.4 | 147.3 | 171.7 | -64.6 | -171.9 | 155.7 | 0 | 0 | 111.1 | ||
| 260 | K | 82.4 | Confident | 87.2 | Confident | 121 Ų | 121 | 71.1 Ų | 71.1 | 53% | 0.526 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 125.8 | 177.9 | -53.1 | -168.9 | -168.7 | -167 | 0 | 109.7 | P213 V216 L248 | P213-K260 VanDerWaalsContact O-CE 3.26Å; P213-K260 WeakPolarHBondContact O-CE 3.41Å; P213-K260 PolarHBondContact O-NZ 3.2Å; V216-K260 HydrophobicContact CG2-CB 4.26Å; L248-K260 HydrophobicContact CD1-CG 4.41Å |
| 261 | P | 87.7 | Confident | 86.9 | Confident | 4 Ų | 4 | 72.3 Ų | 72.3 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 161.2 | 178.3 | 25 | -31.9 | 0 | 0 | 0 | 112 | V216 Y234 L242 L245 | V216-P261 WeakPolarHBondContact CG1-O 3.25Å; V216-P261 WeakPolarHBondContact CG2-O 3.09Å; Y234-P261 HydrophobicContact CD2-CG 3.93Å; Y234-P261 HydrophobicContact CG-CG 4Å; L242-P261 HydrophobicContact CD1-CB 4.11Å; L242-P261 HydrophobicContact CD1-CG 4.3Å; L242-P261 HydrophobicContact CD2-CB 3.89Å; L242-P261 HydrophobicContact CG-CB 3.92Å; L245-P261 VanDerWaalsContact O-CB 3.31Å; L245-P261 WeakPolarHBondContact O-CB 3.37Å; L245-P261 WeakPolarHBondContact O-CD 2.98Å; L245-P261 VanDerWaalsContact O-CG 3.29Å; L245-P261 WeakPolarHBondContact O-CG 3.23Å |
| 262 | T | 88.5 | Confident | 86.7 | Confident | 67 Ų | 67 | 79.3 Ų | 79.3 | 41% | 0.411 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.3 | 174.2 | 56.6 | 0 | 0 | 0 | 0 | 110.3 | R243 | R243-T262 PolarHBondContact N-O 2.03Å; R243-T262 PolarHBondContact O-N 2.79Å; R243-T262 PolarHBondContact O-OG1 2.91Å |
| 263 | C | 89.5 | Confident | 86.5 | Confident | 14 Ų | 14 | 78.5 Ų | 78.5 | 10% | 0.095 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 104.2 | 174.1 | -70.6 | 0 | 0 | 0 | 0 | 109.5 | L217 N218 C236 F240 Y241 | L217-C263 WeakPolarHBondContact O-CB 3.45Å; N218-C263 HydrophobicContact CB-CB 4.02Å; C236-C263 WeakPolarHBondContact CA-SG 3.44Å; C236-C263 HydrophobicContact CB-CB 3.88Å; C236-C263 WeakPolarHBondContact CB-SG 3.49Å; C236-C263 VanDerWaalsContact SG-CA 3.55Å; C236-C263 WeakPolarHBondContact SG-CB 3.19Å; C236-C263 CovalentContact SG-SG 2.03Å; C236-C263 PolarHBondContact SG-SG 2.99Å; F240-C263 HydrophobicContact CB-CB 4.04Å; Y241-C263 WeakPolarHBondContact O-CA 3.31Å |
| 264 | K | 85.5 | Confident | 86.4 | Confident | 93 Ų | 93 | 76.3 Ų | 76.3 | 40% | 0.404 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 145.7 | 178.2 | -71.5 | -156 | 169.7 | -151.4 | 0 | 110.8 | F240 Y241 | F240-K264 CarbonylContact C-O 3.59Å; F240-K264 WeakPolarHBondContact CA-O 3.41Å; F240-K264 WeakPolarHBondContact CB-O 3.48Å; Y241-K264 HydrophobicContact CD1-CB 4.24Å; Y241-K264 WeakPolarHBondContact CD1-O 3.18Å; Y241-K264 HydrophobicContact CE1-CB 3.67Å; Y241-K264 HydrophobicContact CE2-CB 4.3Å; Y241-K264 PolarHBondContact N-O 3.41Å; Y241-K264 PolarHBondContact O-N 2.95Å |
| 265 | P | 82.9 | Confident | 86.5 | Confident | 41 Ų | 41 | 81.6 Ų | 81.6 | 27% | 0.266 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 148.5 | 176.9 | 27.4 | -35 | 0 | 0 | 0 | 110.2 | F240 Y241 D285 F286 | F240-P265 HydrophobicContact CD1-CB 4.2Å; F240-P265 HydrophobicContact CE1-CB 3.98Å; Y241-P265 VanDerWaalsContact CE1-O 3.26Å; Y241-P265 WeakPolarHBondContact CE1-O 3.37Å; P265-D285 HydrophobicContact CB-CB 4.38Å; P265-F286 HydrophobicContact CB-CB 4.49Å |
| 266 | I | 85.2 | Confident | 86.4 | Confident | 14 Ų | 14 | 78 Ų | 78 | 7% | 0.072 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 132.6 | 168.3 | -76.7 | 174.2 | 0 | 0 | 0 | 109 | G239 Y241 D285 F286 S310 R312 | G239-I266 WeakPolarHBondContact O-CB 3.45Å; G239-I266 WeakPolarHBondContact O-CG1 3.19Å; G239-I266 PolarHBondContact O-N 3.23Å; Y241-I266 HydrophobicContact CD1-CG1 4.27Å; I266-D285 CarbonylContact O-C 3.5Å; I266-F286 PolarHBondContact O-N 3.41Å; I266-S310 VanDerWaalsContact CD1-O 3.26Å; I266-S310 WeakPolarHBondContact CD1-O 3.17Å; I266-R312 HydrophobicContact CG2-CB 3.96Å; I266-R312 HydrophobicContact CG2-CG 3.59Å |
| 267 | E | 87.4 | Confident | 86.2 | Confident | 114 Ų | 114 | 76.1 Ų | 76.1 | 53% | 0.533 | 39% | 0.393 | S | S | . | . | B | Isolated β-bridge | trans | -98.8 | 130 | 174 | -66.1 | 166.2 | -129.3 | 0 | 0 | 109.8 | V284 | E267-V284 WeakPolarHBondContact CA-O 3.49Å; E267-V284 HydrophobicContact CB-CG2 4.2Å; E267-V284 HydrophobicContact CG-CG2 4.36Å |
| 268 | C | 88.2 | Confident | 86.2 | Confident | 8 Ų | 8 | 77.3 Ų | 77.3 | 5% | 0.054 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 159.9 | 171 | -73.4 | 0 | 0 | 0 | 0 | 111.7 | V284 C308 R312 S313 W314 | C268-V284 PolarHBondContact N-O 3.14Å; C268-V284 WeakPolarHBondContact O-CB 3.1Å; C268-C308 HydrophobicContact CB-CB 3.87Å; C268-C308 WeakPolarHBondContact CB-SG 3.45Å; C268-C308 WeakPolarHBondContact SG-CA 3.34Å; C268-C308 WeakPolarHBondContact SG-CB 3.27Å; C268-C308 CovalentContact SG-SG 2.04Å; C268-C308 PolarHBondContact SG-SG 3.02Å; C268-R312 VanDerWaalsContact SG-C 3.58Å; C268-S313 PolarHBondContact SG-O 2.72Å; C268-W314 HydrophobicContact CB-CD2 4.43Å; C268-W314 HydrophobicContact CB-CZ2 4.15Å |
| 269 | P | 88.4 | Confident | 86.5 | Confident | 89 Ų | 89 | 77.5 Ų | 77.5 | 58% | 0.578 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 139.1 | 171.8 | -22.8 | 33.4 | 0 | 0 | 0 | 111.4 | P271 R312 W314 | P269-P271 WeakPolarHBondContact O-CD 3.45Å; P269-R312 WeakPolarHBondContact CD-O 3.3Å; P269-W314 PolarHBondContact O-NE1 2.88Å |
| 270 | R | 87.7 | Confident | 86.6 | Confident | 218 Ų | 218 | 75 Ų | 75 | 82% | 0.823 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 121.3 | 176.7 | -71.7 | -179.8 | -177.7 | 179.4 | 1.7 | 110.1 | V284 | R270-V284 HydrophobicContact CB-CG1 4.42Å; R270-V284 HydrophobicContact CG-CG1 3.79Å |
| 271 | P | 84 | Confident | 86.4 | Confident | 26 Ų | 26 | 71.2 Ų | 71.2 | 17% | 0.169 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 140.6 | -177.5 | 24.5 | -29.2 | 0 | 0 | 0 | 111.1 | P269 V279 V290 Y292 W314 | P269-P271 WeakPolarHBondContact O-CD 3.45Å; P271-V279 HydrophobicContact CG-CG2 4.33Å; P271-V290 HydrophobicContact CB-CG2 4.43Å; P271-V290 HydrophobicContact CG-CB 4.4Å; P271-V290 HydrophobicContact CG-CG1 3.85Å; P271-V290 HydrophobicContact CG-CG2 4.08Å; P271-Y292 WeakPolarHBondContact CB-OH 3.22Å; P271-W314 HydrophobicContact CG-CZ2 4.02Å |
| 272 | K | 85.9 | Confident | 85.9 | Confident | 166 Ų | 166 | 77.6 Ų | 77.6 | 72% | 0.722 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -85.6 | 149.3 | 176.2 | -64 | -178.7 | -179.7 | -179.3 | 0 | 109.9 | Y292 | K272-Y292 WeakPolarHBondContact O-CE1 3.36Š|
| 273 | A | 84.3 | Confident | 85.7 | Confident | 60 Ų | 60 | 77 Ų | 77 | 50% | 0.496 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 137.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V279 | A273-V279 HydrophobicContact CB-CG1 4.32Š|
| 274 | P | 85 | Confident | 85.7 | Confident | 22 Ų | 22 | 77.3 Ų | 77.3 | 14% | 0.143 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 159.8 | 169 | 31.4 | -34.1 | 0 | 0 | 0 | 110.4 | G277 Y292 | P274-G277 PolarHBondContact O-N 3.18Å; P274-Y292 HydrophobicContact CG-CD1 4.32Å |
| 275 | L | 86.3 | Confident | 85.7 | Confident | 130 Ų | 130 | 76 Ų | 76 | 68% | 0.681 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 138.5 | 170.1 | -166.8 | 70.8 | 0 | 0 | 0 | 109.4 | G277 C321 | L275-G277 VanDerWaalsContact C-N 3.27Å; L275-G277 PolarHBondContact O-N 2.88Å; L275-C321 WeakPolarHBondContact O-CB 3.35Å |
| 276 | Y | 87.4 | Confident | 85.9 | Confident | 104 Ų | 104 | 76 Ų | 76 | 41% | 0.408 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 36.4 | -173.2 | -45.4 | -63.4 | 0 | 0 | 0 | 114.3 | C294 E295 Y298 C321 | Y276-C294 WeakPolarHBondContact O-CA 3.41Å; Y276-E295 WeakPolarHBondContact CA-OE2 3.47Å; Y276-E295 PolarHBondContact O-N 2.99Å; Y276-Y298 AromaticContact CD1-CE2 3.96Å; Y276-Y298 HydrophobicContact CD1-CE2 3.96Å; Y276-Y298 AromaticContact CD1-CZ 3.89Å; Y276-Y298 AromaticContact CD2-CD1 3.89Å; Y276-Y298 HydrophobicContact CD2-CD1 3.89Å; Y276-Y298 AromaticContact CD2-CE1 3.34Å; Y276-Y298 HydrophobicContact CD2-CE1 3.34Å; Y276-Y298 HydrophobicContact CD2-CE2 4.2Å; Y276-Y298 AromaticContact CD2-CZ 3.52Å; Y276-Y298 AromaticContact CE2-CE1 3.88Å; Y276-Y298 HydrophobicContact CE2-CE1 3.88Å; Y276-Y298 AromaticContact CE2-CZ 3.93Å; Y276-Y298 HydrophobicContact CG-CD1 4.1Å; Y276-Y298 HydrophobicContact CG-CD2 4.12Å; Y276-Y298 AromaticContact CG-CE1 3.71Å; Y276-Y298 HydrophobicContact CG-CE1 3.71Å; Y276-Y298 AromaticContact CG-CE2 3.7Å; Y276-Y298 HydrophobicContact CG-CE2 3.7Å; Y276-Y298 HydrophobicContact CG-CG 4.31Å; Y276-Y298 AromaticContact CG-CZ 3.49Å; Y276-Y298 VanDerWaalsContact CG-CZ 3.49Å; Y276-C321 PolarHBondContact O-SG 2.84Å |
| 277 | G | 86.6 | Confident | 85.8 | Confident | 8 Ų | 8 | 82 Ų | 82 | 8% | 0.082 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 167.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | P274 L275 S293 | P274-G277 PolarHBondContact O-N 3.18Å; L275-G277 VanDerWaalsContact C-N 3.27Å; L275-G277 PolarHBondContact O-N 2.88Å; G277-S293 CarbonylContact C-O 3.53Å; G277-S293 WeakPolarHBondContact CA-O 3.18Å |
| 278 | Q | 89.5 | Confident | 85.9 | Confident | 113 Ų | 113 | 77.2 Ų | 77.2 | 53% | 0.528 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 144.8 | -171.7 | -58.2 | 177.7 | 7.6 | 0 | 0 | 110.1 | Y292 S293 | Q278-Y292 CarbonylContact O-C 3.57Å; Q278-Y292 WeakPolarHBondContact O-CA 3.41Å; Q278-S293 PolarHBondContact N-O 3.05Å; Q278-S293 PolarHBondContact O-N 2.75Å; Q278-S293 PolarHBondContact O-OG 3.14Å |
| 279 | V | 89.6 | Confident | 86 | Confident | 46 Ų | 46 | 82.4 Ų | 82.4 | 28% | 0.279 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.6 | 176.7 | 64.2 | 0 | 0 | 0 | 0 | 110.5 | P271 A273 V290 Y292 | P271-V279 HydrophobicContact CG-CG2 4.33Å; A273-V279 HydrophobicContact CB-CG1 4.32Å; V279-V290 HydrophobicContact CG2-CB 3.91Å; V279-V290 HydrophobicContact CG2-CG1 4.39Å; V279-V290 HydrophobicContact CG2-CG2 4.33Å; V279-Y292 HydrophobicContact CB-CD1 4.17Å; V279-Y292 HydrophobicContact CB-CE1 4.2Å; V279-Y292 HydrophobicContact CG2-CD1 4.21Å; V279-Y292 HydrophobicContact CG2-CE1 4.03Å; V279-Y292 HydrophobicContact CG2-CE2 4.38Å; V279-Y292 HydrophobicContact CG2-CG 4.5Å |
| 280 | Q | 87.1 | Confident | 86.1 | Confident | 117 Ų | 117 | 78.1 Ų | 78.1 | 55% | 0.547 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.4 | 178.7 | -61.7 | -178.2 | -10.4 | 0 | 0 | 109.8 | V290 V291 | Q280-V290 WeakPolarHBondContact O-CA 3.47Å; Q280-V291 HydrophobicContact CB-CB 4.48Å; Q280-V291 PolarHBondContact N-O 2.77Å; Q280-V291 PolarHBondContact O-N 2.84Å |
| 281 | G | 78.3 | Confident | 86.2 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 42% | 0.423 | 37% | 0.373 | S | S | . | . | trans | 106.7 | 127.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V290 | G281-V290 WeakPolarHBondContact O-CG1 3.39Š| ||
| 282 | T | 77.6 | Confident | 86.5 | Confident | 138 Ų | 138 | 68.2 Ų | 68.2 | 85% | 0.847 | 37% | 0.365 | S | S | * | . | trans | -117 | -16.8 | -172.7 | 49.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 283 | S | 83.9 | Confident | 86.7 | Confident | 56 Ų | 56 | 61.8 Ų | 61.8 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | trans | -65.9 | 141.7 | 170.2 | 162.4 | 0 | 0 | 0 | 0 | 110 | D285 S288 | S283-D285 PolarHBondContact OG-OD2 3.48Å; S283-S288 PolarHBondContact O-OG 2.85Å; S283-S288 WeakPolarHBondContact OG-CB 3.49Å | ||
| 284 | V | 87.9 | Confident | 86.9 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | trans | -119.5 | 3.3 | 179.2 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | E267 C268 R270 S288 C308 W314 | E267-V284 WeakPolarHBondContact CA-O 3.49Å; E267-V284 HydrophobicContact CB-CG2 4.2Å; E267-V284 HydrophobicContact CG-CG2 4.36Å; C268-V284 PolarHBondContact N-O 3.14Å; C268-V284 WeakPolarHBondContact O-CB 3.1Å; R270-V284 HydrophobicContact CB-CG1 4.42Å; R270-V284 HydrophobicContact CG-CG1 3.79Å; V284-S288 VanDerWaalsContact C-OG 3.3Å; V284-C308 PolarHBondContact O-SG 3.46Å; V284-C308 VanDerWaalsContact O-SG 3.33Å; V284-W314 HydrophobicContact CG1-CZ2 4.46Å | ||
| 285 | D | 87.2 | Confident | 87 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 35% | 0.348 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -66.3 | 161.5 | -176 | -49.1 | -92.4 | 0 | 0 | 0 | 111.4 | P265 I266 S283 Q287 S288 C308 | P265-D285 HydrophobicContact CB-CB 4.38Å; I266-D285 CarbonylContact O-C 3.5Å; S283-D285 PolarHBondContact OG-OD2 3.48Å; D285-Q287 PolarHBondContact O-N 2.03Å; D285-S288 PolarHBondContact N-OG 2.85Å; D285-S288 WeakPolarHBondContact O-CB 3.02Å; D285-S288 PolarHBondContact O-N 2.95Å; D285-S288 PolarHBondContact O-OG 2.93Å; D285-C308 VanDerWaalsContact O-CB 3.31Å; D285-C308 WeakPolarHBondContact O-CB 3.38Å |
| 286 | F | 85.4 | Confident | 86.7 | Confident | 42 Ų | 42 | 65.2 Ų | 65.2 | 18% | 0.184 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 134.6 | 176.4 | 173.8 | -120.2 | 0 | 0 | 0 | 111.6 | D238 G239 F240 P265 I266 S288 | D238-F286 WeakPolarHBondContact O-CE1 3.33Å; G239-F286 WeakPolarHBondContact O-CB 3.48Å; F240-F286 HydrophobicContact CD2-CD1 4.44Å; F240-F286 HydrophobicContact CE2-CD1 4.01Å; F240-F286 HydrophobicContact CE2-CE1 4.38Å; P265-F286 HydrophobicContact CB-CB 4.49Å; I266-F286 PolarHBondContact O-N 3.41Å; F286-S288 PolarHBondContact O-N 2.82Å |
| 287 | Q | 84.5 | Confident | 86.4 | Confident | 140 Ų | 140 | 60.7 Ų | 60.7 | 65% | 0.654 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 2.1 | -171 | -51.8 | -177.2 | -3.9 | 0 | 0 | 116.4 | D285 C308 | D285-Q287 PolarHBondContact O-N 2.03Å; Q287-C308 PolarHBondContact N-O 3.34Å |
| 288 | S | 90.1 | Very high | 86.3 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 10% | 0.098 | 34% | 0.337 | C | S | . | . | trans | -54.9 | 146 | 165.8 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | S283 V284 D285 F286 I307 C308 W314 | S283-S288 PolarHBondContact O-OG 2.85Å; S283-S288 WeakPolarHBondContact OG-CB 3.49Å; V284-S288 VanDerWaalsContact C-OG 3.3Å; D285-S288 PolarHBondContact N-OG 2.85Å; D285-S288 WeakPolarHBondContact O-CB 3.02Å; D285-S288 PolarHBondContact O-N 2.95Å; D285-S288 PolarHBondContact O-OG 2.93Å; F286-S288 PolarHBondContact O-N 2.82Å; S288-I307 CarbonylContact O-C 3.58Å; S288-I307 VanDerWaalsContact O-CA 3.29Å; S288-I307 WeakPolarHBondContact O-CA 3.42Å; S288-C308 PolarHBondContact O-N 3.07Å; S288-C308 WeakPolarHBondContact OG-CB 3.45Å; S288-W314 WeakPolarHBondContact O-CZ3 2.99Å; S288-W314 VanDerWaalsContact OG-CH2 3.28Å; S288-W314 WeakPolarHBondContact OG-CH2 3.05Å | ||
| 289 | K | 88.9 | Confident | 86.1 | Confident | 116 Ų | 116 | 62.6 Ų | 62.6 | 50% | 0.504 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.9 | -176 | 163.2 | -179.8 | 155.3 | 162 | 0 | 108.6 | V291 Q305 | K289-V291 VanDerWaalsContact CE-CG2 3.45Å; K289-V291 HydrophobicContact CG-CG2 4.38Å; K289-Q305 HydrophobicContact CD-CG 4.01Å; K289-Q305 VanDerWaalsContact CE-CD 3.47Å; K289-Q305 HydrophobicContact CG-CG 3.79Å |
| 290 | V | 90.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 143.7 | 166.4 | -63.7 | 0 | 0 | 0 | 0 | 111 | P271 V279 Q280 G281 Y292 Q305 R306 W314 | P271-V290 HydrophobicContact CB-CG2 4.43Å; P271-V290 HydrophobicContact CG-CB 4.4Å; P271-V290 HydrophobicContact CG-CG1 3.85Å; P271-V290 HydrophobicContact CG-CG2 4.08Å; V279-V290 HydrophobicContact CG2-CB 3.91Å; V279-V290 HydrophobicContact CG2-CG1 4.39Å; V279-V290 HydrophobicContact CG2-CG2 4.33Å; Q280-V290 WeakPolarHBondContact O-CA 3.47Å; G281-V290 WeakPolarHBondContact O-CG1 3.39Å; V290-Y292 HydrophobicContact CG2-CE2 3.76Å; V290-Q305 WeakPolarHBondContact O-CA 3.36Å; V290-R306 HydrophobicContact CG2-CB 4.16Å; V290-R306 PolarHBondContact N-O 2.98Å; V290-R306 PolarHBondContact O-N 3.31Å; V290-W314 HydrophobicContact CB-CH2 4.47Å; V290-W314 HydrophobicContact CB-CZ3 4.47Å; V290-W314 HydrophobicContact CG1-CH2 3.77Å; V290-W314 HydrophobicContact CG1-CZ2 4.29Å; V290-W314 HydrophobicContact CG1-CZ3 4.24Å; V290-W314 HydrophobicContact CG2-CD2 4.5Å; V290-W314 HydrophobicContact CG2-CE3 4.01Å; V290-W314 HydrophobicContact CG2-CH2 4.06Å; V290-W314 HydrophobicContact CG2-CZ3 3.77Å |
| 291 | V | 90.5 | Very high | 85.7 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 127.2 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | Q280 K289 K304 Q305 | Q280-V291 HydrophobicContact CB-CB 4.48Å; Q280-V291 PolarHBondContact N-O 2.77Å; Q280-V291 PolarHBondContact O-N 2.84Å; K289-V291 VanDerWaalsContact CE-CG2 3.45Å; K289-V291 HydrophobicContact CG-CG2 4.38Å; V291-K304 WeakPolarHBondContact CA-O 3.46Å; V291-K304 HydrophobicContact CG1-CG 4.45Å; V291-Q305 HydrophobicContact CG2-CG 4.3Å |
| 292 | Y | 90.5 | Very high | 85.9 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 156.8 | 175.7 | -65.6 | -103.8 | 0 | 0 | 0 | 110.1 | P271 K272 P274 Q278 V279 V290 M300 K304 R306 P319 | P271-Y292 WeakPolarHBondContact CB-OH 3.22Å; K272-Y292 WeakPolarHBondContact O-CE1 3.36Å; P274-Y292 HydrophobicContact CG-CD1 4.32Å; Q278-Y292 CarbonylContact O-C 3.57Å; Q278-Y292 WeakPolarHBondContact O-CA 3.41Å; V279-Y292 HydrophobicContact CB-CD1 4.17Å; V279-Y292 HydrophobicContact CB-CE1 4.2Å; V279-Y292 HydrophobicContact CG2-CD1 4.21Å; V279-Y292 HydrophobicContact CG2-CE1 4.03Å; V279-Y292 HydrophobicContact CG2-CE2 4.38Å; V279-Y292 HydrophobicContact CG2-CG 4.5Å; V290-Y292 HydrophobicContact CG2-CE2 3.76Å; Y292-M300 WeakPolarHBondContact O-CE 3.02Å; Y292-K304 PolarHBondContact N-O 3.31Å; Y292-R306 HydrophobicContact CE2-CB 4.43Å; Y292-R306 HydrophobicContact CE2-CG 3.97Å; Y292-P319 HydrophobicContact CD1-CG 3.61Å; Y292-P319 HydrophobicContact CD2-CG 3.49Å; Y292-P319 VanDerWaalsContact CD2-CG 3.49Å; Y292-P319 HydrophobicContact CE1-CG 3.92Å; Y292-P319 HydrophobicContact CE2-CG 3.84Å; Y292-P319 HydrophobicContact CG-CG 3.37Å |
| 293 | S | 89.1 | Confident | 86.3 | Confident | 31 Ų | 31 | 57 Ų | 57 | 22% | 0.217 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 151.6 | 172.8 | 32 | 0 | 0 | 0 | 0 | 108.8 | G277 Q278 M300 | G277-S293 CarbonylContact C-O 3.53Å; G277-S293 WeakPolarHBondContact CA-O 3.18Å; Q278-S293 PolarHBondContact N-O 3.05Å; Q278-S293 PolarHBondContact O-N 2.75Å; Q278-S293 PolarHBondContact O-OG 3.14Å; S293-M300 VanDerWaalsContact CA-CE 3.45Å |
| 294 | C | 89.1 | Confident | 86.4 | Confident | 35 Ų | 35 | 60.7 Ų | 60.7 | 24% | 0.236 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 155.5 | 170.8 | -63.2 | 0 | 0 | 0 | 0 | 109.3 | Y276 Y298 C321 | Y276-C294 WeakPolarHBondContact O-CA 3.41Å; C294-Y298 WeakPolarHBondContact CB-O 3.43Å; C294-C321 WeakPolarHBondContact CA-SG 3.45Å; C294-C321 HydrophobicContact CB-CB 3.77Å; C294-C321 WeakPolarHBondContact CB-SG 3.42Å; C294-C321 VanDerWaalsContact SG-CA 3.57Å; C294-C321 WeakPolarHBondContact SG-CB 3.18Å; C294-C321 CovalentContact SG-SG 2.04Å; C294-C321 PolarHBondContact SG-SG 2.97Å |
| 295 | E | 86.9 | Confident | 86.5 | Confident | 85 Ų | 85 | 63.7 Ų | 63.7 | 40% | 0.397 | 32% | 0.316 | S | S | . | . | trans | -71 | 162.6 | 173.9 | -71.3 | 166.4 | -171.7 | 0 | 0 | 111 | Y276 G297 Y298 | Y276-E295 WeakPolarHBondContact CA-OE2 3.47Å; Y276-E295 PolarHBondContact O-N 2.99Å; E295-G297 PolarHBondContact O-N 3.11Å; E295-Y298 HydrophobicContact CB-CD2 4.3Å; E295-Y298 PolarHBondContact O-N 2.9Å | ||
| 296 | E | 81.1 | Confident | 86.7 | Confident | 165 Ų | 165 | 61.7 Ų | 61.7 | 77% | 0.771 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 134.7 | -178.1 | -173.7 | 154.6 | -145.1 | 0 | 0 | 110.8 | F344 | E296-F344 HydrophobicContact CG-CE1 3.76Å; E296-F344 HydrophobicContact CG-CZ 3.91Å |
| 297 | G | 79.7 | Confident | 86.9 | Confident | 8 Ų | 8 | 62.9 Ų | 62.9 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -7.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | E295 V324 F344 | E295-G297 PolarHBondContact O-N 3.11Å; G297-V324 WeakPolarHBondContact O-CB 3.28Å; G297-V324 WeakPolarHBondContact O-CG2 3.02Å; G297-V324 PolarHBondContact O-N 2.9Å; G297-F344 VanDerWaalsContact CA-CG 3.44Å |
| 298 | Y | 86 | Confident | 87.2 | Confident | 63 Ų | 63 | 56.3 Ų | 56.3 | 25% | 0.247 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.5 | 177.3 | -61 | -90.9 | 0 | 0 | 0 | 112.6 | Y276 C294 E295 E322 E323 | Y276-Y298 AromaticContact CD1-CE2 3.96Å; Y276-Y298 HydrophobicContact CD1-CE2 3.96Å; Y276-Y298 AromaticContact CD1-CZ 3.89Å; Y276-Y298 AromaticContact CD2-CD1 3.89Å; Y276-Y298 HydrophobicContact CD2-CD1 3.89Å; Y276-Y298 AromaticContact CD2-CE1 3.34Å; Y276-Y298 HydrophobicContact CD2-CE1 3.34Å; Y276-Y298 HydrophobicContact CD2-CE2 4.2Å; Y276-Y298 AromaticContact CD2-CZ 3.52Å; Y276-Y298 AromaticContact CE2-CE1 3.88Å; Y276-Y298 HydrophobicContact CE2-CE1 3.88Å; Y276-Y298 AromaticContact CE2-CZ 3.93Å; Y276-Y298 HydrophobicContact CG-CD1 4.1Å; Y276-Y298 HydrophobicContact CG-CD2 4.12Å; Y276-Y298 AromaticContact CG-CE1 3.71Å; Y276-Y298 HydrophobicContact CG-CE1 3.71Å; Y276-Y298 AromaticContact CG-CE2 3.7Å; Y276-Y298 HydrophobicContact CG-CE2 3.7Å; Y276-Y298 HydrophobicContact CG-CG 4.31Å; Y276-Y298 AromaticContact CG-CZ 3.49Å; Y276-Y298 VanDerWaalsContact CG-CZ 3.49Å; C294-Y298 WeakPolarHBondContact CB-O 3.43Å; E295-Y298 HydrophobicContact CB-CD2 4.3Å; E295-Y298 PolarHBondContact O-N 2.9Å; Y298-E322 CarbonylContact C-O 3.54Å; Y298-E322 WeakPolarHBondContact CA-O 3.22Å; Y298-E323 HydrophobicContact CD1-CB 4.16Å; Y298-E323 HydrophobicContact CE1-CB 3.96Å; Y298-E323 HydrophobicContact CE1-CG 4.22Å |
| 299 | R | 83.9 | Confident | 87.1 | Confident | 98 Ų | 98 | 59.5 Ų | 59.5 | 37% | 0.37 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 151.8 | 173.7 | 62.8 | 176.7 | -172.4 | -143.3 | -4.3 | 111.3 | C321 E322 V324 | R299-C321 CarbonylContact O-C 3.44Å; R299-C321 WeakPolarHBondContact O-CA 3.49Å; R299-E322 HydrophobicContact CG-CB 4.3Å; R299-E322 IonicContact CZ-OE2 3.16Å; R299-E322 PolarHBondContact N-O 2.88Å; R299-E322 IonicContact NE-OE2 2.69Å; R299-E322 PolarHBondContact NE-OE2 3.49Å; R299-E322 IonicContact NH2-OE1 3.82Å; R299-E322 IonicContact NH2-OE2 3.04Å; R299-E322 PolarHBondContact NH2-OE2 2.95Å; R299-E322 PolarHBondContact O-N 2.88Å; R299-V324 HydrophobicContact CB-CG2 3.68Å; R299-V324 HydrophobicContact CG-CG2 3.95Å |
| 300 | M | 86.1 | Confident | 86.9 | Confident | 51 Ų | 51 | 56.7 Ų | 56.7 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 122.7 | -179.9 | -163.2 | 169.1 | -73.1 | 0 | 0 | 112 | Y292 S293 K304 P319 | Y292-M300 WeakPolarHBondContact O-CE 3.02Å; S293-M300 VanDerWaalsContact CA-CE 3.45Å; M300-K304 WeakPolarHBondContact SD-CA 3.34Å; M300-K304 HydrophobicContact SD-CB 3.56Å; M300-K304 VanDerWaalsContact SD-CB 3.56Å; M300-K304 HydrophobicContact SD-CD 4.43Å; M300-K304 HydrophobicContact SD-CG 3.76Å; M300-P319 HydrophobicContact CG-CB 3.82Å; M300-P319 HydrophobicContact SD-CB 4.09Å |
| 301 | V | 83.5 | Confident | 86.7 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 26% | 0.261 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 117.8 | 172 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | P319 Y320 E322 | V301-P319 VanDerWaalsContact O-CA 3.27Å; V301-P319 WeakPolarHBondContact O-CA 3.01Å; V301-Y320 HydrophobicContact CB-CD1 4.33Å; V301-Y320 HydrophobicContact CB-CD2 4.28Å; V301-Y320 HydrophobicContact CB-CE1 3.87Å; V301-Y320 HydrophobicContact CB-CE2 3.81Å; V301-Y320 HydrophobicContact CG1-CE1 3.81Å; V301-Y320 HydrophobicContact CG1-CE2 4.28Å; V301-Y320 WeakPolarHBondContact CG1-OH 3.47Å; V301-Y320 HydrophobicContact CG2-CE2 4.13Å; V301-Y320 PolarHBondContact N-O 2.89Å; V301-Y320 PolarHBondContact O-N 3.2Å; V301-E322 HydrophobicContact CG2-CB 3.8Å; V301-E322 WeakPolarHBondContact CG2-OE2 3.29Å |
| 302 | G | 82.4 | Confident | 86.6 | Confident | 42 Ų | 42 | 66.7 Ų | 66.7 | 43% | 0.433 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 120.3 | -157.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 303 | Q | 85 | Confident | 86.5 | Confident | 88 Ų | 88 | 68.8 Ų | 68.8 | 41% | 0.411 | 35% | 0.346 | S | S | . | . | trans | -98.1 | 110.8 | -175.5 | -69 | -179.8 | -27.1 | 0 | 0 | 112.2 | Q305 S315 G316 M317 P319 | Q303-Q305 PolarHBondContact O-N 2.99Å; Q303-S315 PolarHBondContact OE1-O 2.04Å; Q303-G316 VanDerWaalsContact OE1-CA 3.22Å; Q303-M317 PolarHBondContact N-O 3.33Å; Q303-P319 WeakPolarHBondContact O-CG 3.49Å | ||
| 304 | K | 86.6 | Confident | 86.5 | Confident | 135 Ų | 135 | 68.2 Ų | 68.2 | 59% | 0.587 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -55.6 | -23.2 | 179.2 | -178.9 | 168.3 | -178.6 | 173.9 | 0 | 114.9 | V291 Y292 M300 | V291-K304 WeakPolarHBondContact CA-O 3.46Å; V291-K304 HydrophobicContact CG1-CG 4.45Å; Y292-K304 PolarHBondContact N-O 3.31Å; M300-K304 WeakPolarHBondContact SD-CA 3.34Å; M300-K304 HydrophobicContact SD-CB 3.56Å; M300-K304 VanDerWaalsContact SD-CB 3.56Å; M300-K304 HydrophobicContact SD-CD 4.43Å; M300-K304 HydrophobicContact SD-CG 3.76Å |
| 305 | Q | 90.2 | Very high | 86.5 | Confident | 82 Ų | 82 | 67.7 Ų | 67.7 | 38% | 0.383 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 131.3 | 177.4 | -175 | -170.5 | -69.2 | 0 | 0 | 108.9 | K289 V290 V291 Q303 | K289-Q305 HydrophobicContact CD-CG 4.01Å; K289-Q305 VanDerWaalsContact CE-CD 3.47Å; K289-Q305 HydrophobicContact CG-CG 3.79Å; V290-Q305 WeakPolarHBondContact O-CA 3.36Å; V291-Q305 HydrophobicContact CG2-CG 4.3Å; Q303-Q305 PolarHBondContact O-N 2.99Å |
| 306 | R | 90.2 | Very high | 86.3 | Confident | 23 Ų | 23 | 65.8 Ų | 65.8 | 9% | 0.087 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 148.2 | 172.4 | -57.1 | 177.9 | 83 | -171 | 5.8 | 109.7 | V290 Y292 W314 S315 G316 E318 | V290-R306 HydrophobicContact CG2-CB 4.16Å; V290-R306 PolarHBondContact N-O 2.98Å; V290-R306 PolarHBondContact O-N 3.31Å; Y292-R306 HydrophobicContact CE2-CB 4.43Å; Y292-R306 HydrophobicContact CE2-CG 3.97Å; R306-W314 HydrophobicContact CB-CB 4.25Å; R306-W314 HydrophobicContact CB-CD2 4.5Å; R306-W314 HydrophobicContact CB-CE3 3.87Å; R306-W314 PolarHBondContact NH2-O 2.95Å; R306-S315 WeakPolarHBondContact CA-OG 3.24Å; R306-S315 PolarHBondContact NE-O 3.5Å; R306-G316 PolarHBondContact NH2-O 2.75Å; R306-E318 IonicContact NH1-OE1 3.29Å; R306-E318 PolarHBondContact NH1-OE1 2.83Å |
| 307 | I | 91.3 | Very high | 86.4 | Confident | 67 Ų | 67 | 64.8 Ų | 64.8 | 34% | 0.344 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.1 | -178.1 | -56.9 | 172.7 | 0 | 0 | 0 | 108.6 | S288 Q309 S315 | S288-I307 CarbonylContact O-C 3.58Å; S288-I307 VanDerWaalsContact O-CA 3.29Å; S288-I307 WeakPolarHBondContact O-CA 3.42Å; I307-Q309 PolarHBondContact O-N 3.31Å; I307-S315 PolarHBondContact N-OG 2.92Å; I307-S315 PolarHBondContact O-N 3.34Å |
| 308 | C | 90.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.007 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -71.5 | 119 | 176.8 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | C268 V284 D285 Q287 S288 W314 | C268-C308 HydrophobicContact CB-CB 3.87Å; C268-C308 WeakPolarHBondContact CB-SG 3.45Å; C268-C308 WeakPolarHBondContact SG-CA 3.34Å; C268-C308 WeakPolarHBondContact SG-CB 3.27Å; C268-C308 CovalentContact SG-SG 2.04Å; C268-C308 PolarHBondContact SG-SG 3.02Å; V284-C308 PolarHBondContact O-SG 3.46Å; V284-C308 VanDerWaalsContact O-SG 3.33Å; D285-C308 VanDerWaalsContact O-CB 3.31Å; D285-C308 WeakPolarHBondContact O-CB 3.38Å; Q287-C308 PolarHBondContact N-O 3.34Å; S288-C308 PolarHBondContact O-N 3.07Å; S288-C308 WeakPolarHBondContact OG-CB 3.45Å; C308-W314 HydrophobicContact CB-CE3 4.27Å; C308-W314 HydrophobicContact CB-CH2 4.05Å; C308-W314 HydrophobicContact CB-CZ2 4.43Å; C308-W314 HydrophobicContact CB-CZ3 3.97Å; C308-W314 VanDerWaalsContact N-CZ3 3.28Å |
| 309 | Q | 87.6 | Confident | 86.5 | Confident | 82 Ų | 82 | 66.8 Ų | 66.8 | 38% | 0.383 | 35% | 0.346 | S | S | . | . | trans | -94.4 | 163.8 | -174.3 | -55.3 | -159.2 | -105.1 | 0 | 0 | 112.3 | I307 D311 R312 S313 S315 | I307-Q309 PolarHBondContact O-N 3.31Å; Q309-D311 WeakPolarHBondContact CB-OD1 3.4Å; Q309-D311 PolarHBondContact O-N 3.27Å; Q309-D311 VanDerWaalsContact O-N 3.1Å; Q309-R312 PolarHBondContact O-N 2.03Å; Q309-R312 VanDerWaalsContact O-N 3.14Å; Q309-S313 WeakPolarHBondContact CB-O 3.46Å; Q309-S313 PolarHBondContact N-O 3.43Å; Q309-S315 VanDerWaalsContact OE1-CA 3.26Å | ||
| 310 | S | 85.6 | Confident | 86.7 | Confident | 57 Ų | 57 | 68.1 Ų | 68.1 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -3.8 | -176.7 | 48.2 | 0 | 0 | 0 | 0 | 114.7 | I266 | I266-S310 VanDerWaalsContact CD1-O 3.26Å; I266-S310 WeakPolarHBondContact CD1-O 3.17Å |
| 311 | D | 85.3 | Confident | 86.9 | Confident | 105 Ų | 105 | 66.5 Ų | 66.5 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 9.5 | 174 | 62.9 | 7.2 | 0 | 0 | 0 | 113.5 | Q309 S313 | Q309-D311 WeakPolarHBondContact CB-OD1 3.4Å; Q309-D311 PolarHBondContact O-N 3.27Å; Q309-D311 VanDerWaalsContact O-N 3.1Å; D311-S313 VanDerWaalsContact C-N 3.29Å; D311-S313 VanDerWaalsContact OD1-CB 3.26Å; D311-S313 WeakPolarHBondContact OD1-CB 3.46Å; D311-S313 PolarHBondContact OD1-N 2.82Å; D311-S313 PolarHBondContact OD1-OG 3.11Å; D311-S313 PolarHBondContact OD2-OG 3.13Å |
| 312 | R | 87.7 | Confident | 86.9 | Confident | 139 Ų | 139 | 67.8 Ų | 67.8 | 53% | 0.525 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 71.3 | 10.7 | -174.1 | -31.1 | -155 | 170.3 | -170.1 | -5.4 | 115.3 | I266 C268 P269 Q309 | I266-R312 HydrophobicContact CG2-CB 3.96Å; I266-R312 HydrophobicContact CG2-CG 3.59Å; C268-R312 VanDerWaalsContact SG-C 3.58Å; P269-R312 WeakPolarHBondContact CD-O 3.3Å; Q309-R312 PolarHBondContact O-N 2.03Å; Q309-R312 VanDerWaalsContact O-N 3.14Å |
| 313 | S | 89.7 | Confident | 86.8 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 32% | 0.315 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -97.9 | 154.6 | 176.6 | 78.1 | 0 | 0 | 0 | 0 | 113.2 | C268 Q309 D311 | C268-S313 PolarHBondContact SG-O 2.72Å; Q309-S313 WeakPolarHBondContact CB-O 3.46Å; Q309-S313 PolarHBondContact N-O 3.43Å; D311-S313 VanDerWaalsContact C-N 3.29Å; D311-S313 VanDerWaalsContact OD1-CB 3.26Å; D311-S313 WeakPolarHBondContact OD1-CB 3.46Å; D311-S313 PolarHBondContact OD1-N 2.82Å; D311-S313 PolarHBondContact OD1-OG 3.11Å; D311-S313 PolarHBondContact OD2-OG 3.13Å |
| 314 | W | 88.8 | Confident | 86.6 | Confident | 19 Ų | 19 | 66 Ų | 66 | 7% | 0.072 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -84.7 | 128.7 | 166.6 | -78 | 105.8 | 0 | 0 | 0 | 110 | C268 P269 P271 V284 S288 V290 R306 C308 G316 | C268-W314 HydrophobicContact CB-CD2 4.43Å; C268-W314 HydrophobicContact CB-CZ2 4.15Å; P269-W314 PolarHBondContact O-NE1 2.88Å; P271-W314 HydrophobicContact CG-CZ2 4.02Å; V284-W314 HydrophobicContact CG1-CZ2 4.46Å; S288-W314 WeakPolarHBondContact O-CZ3 2.99Å; S288-W314 VanDerWaalsContact OG-CH2 3.28Å; S288-W314 WeakPolarHBondContact OG-CH2 3.05Å; V290-W314 HydrophobicContact CB-CH2 4.47Å; V290-W314 HydrophobicContact CB-CZ3 4.47Å; V290-W314 HydrophobicContact CG1-CH2 3.77Å; V290-W314 HydrophobicContact CG1-CZ2 4.29Å; V290-W314 HydrophobicContact CG1-CZ3 4.24Å; V290-W314 HydrophobicContact CG2-CD2 4.5Å; V290-W314 HydrophobicContact CG2-CE3 4.01Å; V290-W314 HydrophobicContact CG2-CH2 4.06Å; V290-W314 HydrophobicContact CG2-CZ3 3.77Å; R306-W314 HydrophobicContact CB-CB 4.25Å; R306-W314 HydrophobicContact CB-CD2 4.5Å; R306-W314 HydrophobicContact CB-CE3 3.87Å; R306-W314 PolarHBondContact NH2-O 2.95Å; C308-W314 HydrophobicContact CB-CE3 4.27Å; C308-W314 HydrophobicContact CB-CH2 4.05Å; C308-W314 HydrophobicContact CB-CZ2 4.43Å; C308-W314 HydrophobicContact CB-CZ3 3.97Å; C308-W314 VanDerWaalsContact N-CZ3 3.28Å; W314-G316 PolarHBondContact O-N 2.74Å |
| 315 | S | 89.1 | Confident | 86.3 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 16% | 0.161 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -50.9 | 124.5 | -173.7 | 68.2 | 0 | 0 | 0 | 0 | 113.7 | Q303 R306 I307 Q309 | Q303-S315 PolarHBondContact OE1-O 2.04Å; R306-S315 WeakPolarHBondContact CA-OG 3.24Å; R306-S315 PolarHBondContact NE-O 3.5Å; I307-S315 PolarHBondContact N-OG 2.92Å; I307-S315 PolarHBondContact O-N 3.34Å; Q309-S315 VanDerWaalsContact OE1-CA 3.26Å |
| 316 | G | 82.1 | Confident | 86.1 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 46% | 0.464 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 56.9 | -154.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q303 R306 W314 | Q303-G316 VanDerWaalsContact OE1-CA 3.22Å; R306-G316 PolarHBondContact NH2-O 2.75Å; W314-G316 PolarHBondContact O-N 2.74Å |
| 317 | M | 82.5 | Confident | 85.7 | Confident | 145 Ų | 145 | 61.8 Ų | 61.8 | 71% | 0.714 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 129.1 | -165.9 | -66.5 | 179.7 | 69.9 | 0 | 0 | 112.5 | Q303 | Q303-M317 PolarHBondContact N-O 3.33Š|
| 318 | E | 83.2 | Confident | 85.3 | Confident | 109 Ų | 109 | 64.3 Ų | 64.3 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -60 | 125.1 | 172.6 | -171.7 | 150.4 | -133.2 | 0 | 0 | 110.7 | R306 | R306-E318 IonicContact NH1-OE1 3.29Å; R306-E318 PolarHBondContact NH1-OE1 2.83Å |
| 319 | P | 84.8 | Confident | 84.7 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 143 | 179.1 | 32.1 | -35.4 | 0 | 0 | 0 | 111.6 | Y292 M300 V301 Q303 | Y292-P319 HydrophobicContact CD1-CG 3.61Å; Y292-P319 HydrophobicContact CD2-CG 3.49Å; Y292-P319 VanDerWaalsContact CD2-CG 3.49Å; Y292-P319 HydrophobicContact CE1-CG 3.92Å; Y292-P319 HydrophobicContact CE2-CG 3.84Å; Y292-P319 HydrophobicContact CG-CG 3.37Å; M300-P319 HydrophobicContact CG-CB 3.82Å; M300-P319 HydrophobicContact SD-CB 4.09Å; V301-P319 VanDerWaalsContact O-CA 3.27Å; V301-P319 WeakPolarHBondContact O-CA 3.01Å; Q303-P319 WeakPolarHBondContact O-CG 3.49Å |
| 320 | Y | 89.5 | Confident | 84.3 | Confident | 126 Ų | 126 | 64.5 Ų | 64.5 | 49% | 0.494 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 161.3 | 165.5 | 61.7 | -85.4 | 0 | 0 | 0 | 110.2 | V301 E322 | V301-Y320 HydrophobicContact CB-CD1 4.33Å; V301-Y320 HydrophobicContact CB-CD2 4.28Å; V301-Y320 HydrophobicContact CB-CE1 3.87Å; V301-Y320 HydrophobicContact CB-CE2 3.81Å; V301-Y320 HydrophobicContact CG1-CE1 3.81Å; V301-Y320 HydrophobicContact CG1-CE2 4.28Å; V301-Y320 WeakPolarHBondContact CG1-OH 3.47Å; V301-Y320 HydrophobicContact CG2-CE2 4.13Å; V301-Y320 PolarHBondContact N-O 2.89Å; V301-Y320 PolarHBondContact O-N 3.2Å; Y320-E322 HydrophobicContact CD2-CB 4.36Å; Y320-E322 HydrophobicContact CE2-CB 4.12Å |
| 321 | C | 88.4 | Confident | 84.1 | Confident | 16 Ų | 16 | 66.8 Ų | 66.8 | 11% | 0.108 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120.4 | 175.4 | -61.2 | 0 | 0 | 0 | 0 | 108.6 | L275 Y276 C294 R299 | L275-C321 WeakPolarHBondContact O-CB 3.35Å; Y276-C321 PolarHBondContact O-SG 2.84Å; C294-C321 WeakPolarHBondContact CA-SG 3.45Å; C294-C321 HydrophobicContact CB-CB 3.77Å; C294-C321 WeakPolarHBondContact CB-SG 3.42Å; C294-C321 VanDerWaalsContact SG-CA 3.57Å; C294-C321 WeakPolarHBondContact SG-CB 3.18Å; C294-C321 CovalentContact SG-SG 2.04Å; C294-C321 PolarHBondContact SG-SG 2.97Å; R299-C321 CarbonylContact O-C 3.44Å; R299-C321 WeakPolarHBondContact O-CA 3.49Å |
| 322 | E | 84 | Confident | 84 | Confident | 70 Ų | 70 | 62.2 Ų | 62.2 | 33% | 0.327 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139.9 | 179.7 | -175.1 | -172.9 | -134.5 | 0 | 0 | 108 | Y298 R299 V301 Y320 V324 | Y298-E322 CarbonylContact C-O 3.54Å; Y298-E322 WeakPolarHBondContact CA-O 3.22Å; R299-E322 HydrophobicContact CG-CB 4.3Å; R299-E322 IonicContact CZ-OE2 3.16Å; R299-E322 PolarHBondContact N-O 2.88Å; R299-E322 IonicContact NE-OE2 2.69Å; R299-E322 PolarHBondContact NE-OE2 3.49Å; R299-E322 IonicContact NH2-OE1 3.82Å; R299-E322 IonicContact NH2-OE2 3.04Å; R299-E322 PolarHBondContact NH2-OE2 2.95Å; R299-E322 PolarHBondContact O-N 2.88Å; V301-E322 HydrophobicContact CG2-CB 3.8Å; V301-E322 WeakPolarHBondContact CG2-OE2 3.29Å; Y320-E322 HydrophobicContact CD2-CB 4.36Å; Y320-E322 HydrophobicContact CE2-CB 4.12Å; E322-V324 PolarHBondContact O-N 2.81Å |
| 323 | E | 81.7 | Confident | 83.6 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 138.6 | 177.7 | -165.7 | -175.7 | 145.8 | 0 | 0 | 110.7 | Y298 S325 S343 | Y298-E323 HydrophobicContact CD1-CB 4.16Å; Y298-E323 HydrophobicContact CE1-CB 3.96Å; Y298-E323 HydrophobicContact CE1-CG 4.22Å; E323-S325 VanDerWaalsContact C-N 3.29Å; E323-S325 PolarHBondContact O-N 2.71Å; E323-S343 VanDerWaalsContact OE1-CB 3.22Å; E323-S343 WeakPolarHBondContact OE1-CB 3.23Å |
| 324 | V | 79.6 | Confident | 83.1 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | trans | -78.3 | 82.3 | 177.6 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | G297 R299 E322 S343 F344 Q367 G370 | G297-V324 WeakPolarHBondContact O-CB 3.28Å; G297-V324 WeakPolarHBondContact O-CG2 3.02Å; G297-V324 PolarHBondContact O-N 2.9Å; R299-V324 HydrophobicContact CB-CG2 3.68Å; R299-V324 HydrophobicContact CG-CG2 3.95Å; E322-V324 PolarHBondContact O-N 2.81Å; V324-S343 CarbonylContact O-C 3.51Å; V324-F344 HydrophobicContact CB-CB 4.22Å; V324-F344 PolarHBondContact O-N 3.48Å; V324-F344 VanDerWaalsContact O-N 3.07Å; V324-Q367 WeakPolarHBondContact CG1-O 3.46Å; V324-G370 VanDerWaalsContact CG1-CA 3.49Å; V324-G370 VanDerWaalsContact CG1-N 3.33Å | ||
| 325 | S | 81.1 | Confident | 82.9 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 41% | 0.406 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 123.3 | 164.6 | -44.4 | 0 | 0 | 0 | 0 | 110.3 | E323 T342 | E323-S325 VanDerWaalsContact C-N 3.29Å; E323-S325 PolarHBondContact O-N 2.71Å; S325-T342 CarbonylContact C-O 3.46Å; S325-T342 VanDerWaalsContact CA-O 3.31Å; S325-T342 WeakPolarHBondContact CA-O 3.34Å |
| 326 | C | 84.7 | Confident | 82.8 | Confident | 5 Ų | 5 | 70.6 Ų | 70.6 | 3% | 0.034 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 151.6 | 167.7 | -70.7 | 0 | 0 | 0 | 0 | 110.9 | T342 C366 S371 W372 | C326-T342 PolarHBondContact N-O 3.25Å; C326-T342 WeakPolarHBondContact O-CB 3.26Å; C326-C366 HydrophobicContact CB-CB 3.85Å; C326-C366 WeakPolarHBondContact CB-SG 3.06Å; C326-C366 WeakPolarHBondContact SG-CA 3.13Å; C326-C366 WeakPolarHBondContact SG-CB 3.38Å; C326-C366 CovalentContact SG-SG 2.03Å; C326-C366 PolarHBondContact SG-SG 2.86Å; C326-S371 PolarHBondContact SG-O 3.5Å; C326-W372 HydrophobicContact CB-CD2 4.2Å; C326-W372 HydrophobicContact CB-CG 4.37Å; C326-W372 HydrophobicContact CB-CZ2 4.03Å |
| 327 | P | 82.9 | Confident | 83 | Confident | 88 Ų | 88 | 70.8 Ų | 70.8 | 57% | 0.571 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 139.1 | 176.6 | 27.5 | -34.4 | 0 | 0 | 0 | 110.6 | L329 G370 W372 | P327-L329 PolarHBondContact O-N 2.9Å; P327-G370 VanDerWaalsContact CD-O 3.23Å; P327-G370 WeakPolarHBondContact CD-O 3.13Å; P327-W372 PolarHBondContact O-NE1 2.86Å |
| 328 | T | 82.4 | Confident | 83.2 | Confident | 119 Ų | 119 | 67.2 Ų | 67.2 | 73% | 0.73 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 127.6 | 174.9 | 50 | 0 | 0 | 0 | 0 | 110.6 | T342 | T328-T342 HydrophobicContact CG2-CG2 4Š|
| 329 | L | 78.4 | Confident | 83.1 | Confident | 45 Ų | 45 | 63.9 Ų | 63.9 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 138 | 178.7 | -69.4 | 164 | 0 | 0 | 0 | 110.2 | P327 I337 V348 F350 W372 L376 | P327-L329 PolarHBondContact O-N 2.9Å; L329-I337 HydrophobicContact CB-CD1 3.99Å; L329-V348 HydrophobicContact CD1-CG1 4.4Å; L329-V348 HydrophobicContact CD1-CG2 3.51Å; L329-F350 HydrophobicContact CD1-CE1 4.05Å; L329-F350 HydrophobicContact CD1-CZ 4.1Å; L329-W372 HydrophobicContact CD1-CD2 3.84Å; L329-W372 HydrophobicContact CD1-CE3 4.23Å; L329-W372 HydrophobicContact CD1-CG 4.22Å; L329-W372 HydrophobicContact CD1-CH2 4.45Å; L329-W372 HydrophobicContact CD1-CZ2 4.07Å; L329-W372 HydrophobicContact CD2-CB 4.42Å; L329-W372 HydrophobicContact CD2-CD2 4.34Å; L329-W372 HydrophobicContact CD2-CG 3.87Å; L329-W372 HydrophobicContact CG-CD2 4.17Å; L329-W372 HydrophobicContact CG-CG 4.2Å; L329-W372 HydrophobicContact CG-CZ2 4.33Å; L329-L376 HydrophobicContact CB-CD2 4.29Å; L329-L376 HydrophobicContact CD2-CD2 4.47Å; L329-L376 HydrophobicContact CD2-CG 4.2Å |
| 330 | G | 79.4 | Confident | 82.8 | Confident | 42 Ų | 42 | 70.7 Ų | 70.7 | 43% | 0.433 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 173.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L332 I337 | G330-L332 PolarHBondContact O-N 2.76Å; G330-I337 WeakPolarHBondContact O-CD1 3.41Å |
| 331 | V | 80.9 | Confident | 82.5 | Confident | 106 Ų | 106 | 70.9 Ų | 70.9 | 64% | 0.642 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 123 | 179.5 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | W333 | V331-W333 PolarHBondContact O-N 3.2Å; V331-W333 VanDerWaalsContact O-N 3.14Å |
| 332 | L | 83.5 | Confident | 82.3 | Confident | 8 Ų | 8 | 72.2 Ų | 72.2 | 4% | 0.042 | 40% | 0.399 | C | S | . | . | trans | -74.2 | 96.7 | 168.7 | 179.7 | 59.8 | 0 | 0 | 0 | 109.3 | G330 N334 G335 F336 I337 F350 L376 P377 | G330-L332 PolarHBondContact O-N 2.76Å; L332-N334 PolarHBondContact O-N 3.49Å; L332-G335 CarbonylContact O-C 3.47Å; L332-G335 PolarHBondContact O-N 2.84Å; L332-G335 VanDerWaalsContact O-N 3.1Å; L332-F336 WeakPolarHBondContact CD2-O 3.01Å; L332-I337 HydrophobicContact CB-CD1 4.21Å; L332-I337 HydrophobicContact CB-CG1 3.79Å; L332-I337 HydrophobicContact CD2-CG1 4.43Å; L332-F350 HydrophobicContact CD2-CB 3.98Å; L332-F350 HydrophobicContact CD2-CD1 4.26Å; L332-L376 HydrophobicContact CB-CD2 4.43Å; L332-P377 HydrophobicContact CD1-CG 4.2Å; L332-P377 WeakPolarHBondContact CD1-O 3.42Å | ||
| 333 | W | 78.4 | Confident | 82.2 | Confident | 205 Ų | 205 | 70.6 Ų | 70.6 | 78% | 0.777 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 134.6 | 175.6 | -60.8 | 98.1 | 0 | 0 | 0 | 110.7 | V331 G335 C379 | V331-W333 PolarHBondContact O-N 3.2Å; V331-W333 VanDerWaalsContact O-N 3.14Å; W333-G335 VanDerWaalsContact C-N 3.25Å; W333-G335 PolarHBondContact O-N 3.19Å; W333-C379 WeakPolarHBondContact O-CB 3.28Å |
| 334 | N | 79.8 | Confident | 82.3 | Confident | 63 Ų | 63 | 69.5 Ų | 69.5 | 34% | 0.337 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 25.6 | -173.6 | -54.2 | -22.7 | 0 | 0 | 0 | 115.1 | L332 L353 M356 C379 | L332-N334 PolarHBondContact O-N 3.49Å; N334-L353 WeakPolarHBondContact O-CG 3.37Å; N334-L353 PolarHBondContact O-N 2.82Å; N334-M356 HydrophobicContact CB-CE 4.42Å; N334-M356 HydrophobicContact CB-SD 3.64Å; N334-C379 HydrophobicContact CB-CB 3.76Å; N334-C379 WeakPolarHBondContact CB-O 3.35Å; N334-C379 PolarHBondContact ND2-O 2.95Å; N334-C379 VanDerWaalsContact ND2-O 3.08Å; N334-C379 VanDerWaalsContact O-CB 3.29Å; N334-C379 WeakPolarHBondContact O-CB 3.44Å |
| 335 | G | 83.6 | Confident | 82.5 | Confident | 21 Ų | 21 | 70.5 Ų | 70.5 | 22% | 0.216 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | -166.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | L332 W333 R351 | L332-G335 CarbonylContact O-C 3.47Å; L332-G335 PolarHBondContact O-N 2.84Å; L332-G335 VanDerWaalsContact O-N 3.1Å; W333-G335 VanDerWaalsContact C-N 3.25Å; W333-G335 PolarHBondContact O-N 3.19Å; G335-R351 CarbonylContact C-O 3.48Å; G335-R351 WeakPolarHBondContact CA-O 3.04Å |
| 336 | F | 87 | Confident | 82.8 | Confident | 113 Ų | 113 | 68 Ų | 68 | 50% | 0.496 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 153.8 | 173.1 | 59.3 | -74.2 | 0 | 0 | 0 | 110.4 | L332 R351 | L332-F336 WeakPolarHBondContact CD2-O 3.01Å; F336-R351 HydrophobicContact CD1-CB 3.92Å; F336-R351 HydrophobicContact CD2-CB 4.24Å; F336-R351 HydrophobicContact CE1-CB 3.61Å; F336-R351 HydrophobicContact CE2-CB 3.98Å; F336-R351 HydrophobicContact CE2-CG 4.27Å; F336-R351 HydrophobicContact CG-CB 4.22Å; F336-R351 HydrophobicContact CZ-CB 3.65Å; F336-R351 VanDerWaalsContact CZ-CD 3.48Å; F336-R351 HydrophobicContact CZ-CG 4.22Å; F336-R351 PolarHBondContact N-O 2.77Å; F336-R351 PolarHBondContact O-N 3.23Å |
| 337 | I | 87.9 | Confident | 82.9 | Confident | 50 Ų | 50 | 71.6 Ų | 71.6 | 26% | 0.256 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 130.5 | 178.9 | -50.9 | -178.9 | 0 | 0 | 0 | 107 | L329 G330 L332 V348 F350 L376 | L329-I337 HydrophobicContact CB-CD1 3.99Å; G330-I337 WeakPolarHBondContact O-CD1 3.41Å; L332-I337 HydrophobicContact CB-CD1 4.21Å; L332-I337 HydrophobicContact CB-CG1 3.79Å; L332-I337 HydrophobicContact CD2-CG1 4.43Å; I337-V348 HydrophobicContact CG2-CB 3.73Å; I337-V348 HydrophobicContact CG2-CG1 4.06Å; I337-V348 HydrophobicContact CG2-CG2 4.13Å; I337-F350 HydrophobicContact CD1-CE1 4.34Å; I337-F350 HydrophobicContact CG1-CD1 4.16Å; I337-F350 HydrophobicContact CG1-CE1 4.38Å; I337-F350 HydrophobicContact CG2-CD1 4.25Å; I337-F350 HydrophobicContact CG2-CE1 4.21Å; I337-L376 HydrophobicContact CD1-CD2 3.72Å |
| 338 | D | 86.5 | Confident | 83.1 | Confident | 69 Ų | 69 | 67.6 Ų | 67.6 | 37% | 0.369 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 111.1 | -178.5 | -169.7 | 12.4 | 0 | 0 | 0 | 107.7 | V348 I349 R351 | D338-V348 WeakPolarHBondContact O-CA 3.45Å; D338-I349 HydrophobicContact CB-CB 4.22Å; D338-I349 PolarHBondContact N-O 3.06Å; D338-I349 PolarHBondContact O-N 3.09Å; D338-R351 IonicContact OD2-CZ 3.7Å; D338-R351 IonicContact OD2-NE 2.71Å; D338-R351 PolarHBondContact OD2-NE 2.77Å; D338-R351 IonicContact OD2-NH2 3.21Å; D338-R351 PolarHBondContact OD2-NH2 2.93Å |
| 339 | G | 80.9 | Confident | 83.4 | Confident | 39 Ų | 39 | 65.3 Ų | 65.3 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | trans | 104.8 | 134.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V348 | G339-V348 WeakPolarHBondContact O-CG1 3.5Š| ||
| 340 | D | 78.4 | Confident | 84 | Confident | 148 Ų | 148 | 63.7 Ų | 63.7 | 79% | 0.791 | 35% | 0.348 | S | S | * | . | trans | -122.2 | -13 | -178.6 | 65.5 | -30.4 | 0 | 0 | 0 | 114.3 | ||||
| 341 | E | 83.7 | Confident | 84.3 | Confident | 130 Ų | 130 | 67 Ų | 67 | 61% | 0.607 | 35% | 0.347 | S | S | * | . | trans | -58.2 | 143 | 174.4 | -67 | -173.4 | 169.3 | 0 | 0 | 112.7 | A346 | E341-A346 HydrophobicContact CB-CB 3.8Š| ||
| 342 | T | 83.9 | Confident | 84.5 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 26% | 0.264 | 33% | 0.326 | S | S | . | . | trans | -126.5 | 0.1 | -176 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | S325 C326 T328 W372 | S325-T342 CarbonylContact C-O 3.46Å; S325-T342 VanDerWaalsContact CA-O 3.31Å; S325-T342 WeakPolarHBondContact CA-O 3.34Å; C326-T342 PolarHBondContact N-O 3.25Å; C326-T342 WeakPolarHBondContact O-CB 3.26Å; T328-T342 HydrophobicContact CG2-CG2 4Å; T342-W372 HydrophobicContact CG2-CZ2 4.4Å | ||
| 343 | S | 82.2 | Confident | 84.5 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 26% | 0.259 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -67.6 | 166.7 | 178.2 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | E323 V324 G345 A346 C366 | E323-S343 VanDerWaalsContact OE1-CB 3.22Å; E323-S343 WeakPolarHBondContact OE1-CB 3.23Å; V324-S343 CarbonylContact O-C 3.51Å; S343-G345 PolarHBondContact O-N 3.04Å; S343-A346 WeakPolarHBondContact O-CB 3.48Å; S343-A346 PolarHBondContact O-N 2.73Å; S343-A346 VanDerWaalsContact O-N 3.1Å; S343-C366 VanDerWaalsContact O-CB 3.27Å; S343-C366 WeakPolarHBondContact O-CB 3.25Å; S343-C366 PolarHBondContact O-SG 3.25Å |
| 344 | F | 82.6 | Confident | 84.5 | Confident | 69 Ų | 69 | 65.2 Ų | 65.2 | 30% | 0.303 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 131.7 | 178.5 | 172.7 | -108.8 | 0 | 0 | 0 | 111.6 | E296 G297 V324 A346 K368 | E296-F344 HydrophobicContact CG-CE1 3.76Å; E296-F344 HydrophobicContact CG-CZ 3.91Å; G297-F344 VanDerWaalsContact CA-CG 3.44Å; V324-F344 HydrophobicContact CB-CB 4.22Å; V324-F344 PolarHBondContact O-N 3.48Å; V324-F344 VanDerWaalsContact O-N 3.07Å; F344-A346 PolarHBondContact O-N 3.23Å; F344-K368 HydrophobicContact CD2-CB 4.49Å; F344-K368 HydrophobicContact CE2-CB 3.81Å |
| 345 | G | 84.2 | Confident | 84.1 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 23% | 0.227 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -11.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | S343 R365 C366 | S343-G345 PolarHBondContact O-N 3.04Å; G345-R365 WeakPolarHBondContact O-CG 3.32Å; G345-R365 PolarHBondContact O-NH1 3.4Å; G345-C366 PolarHBondContact N-O 2.97Å; G345-C366 VanDerWaalsContact N-O 3.09Å |
| 346 | A | 86.9 | Confident | 83.9 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 6% | 0.058 | 37% | 0.37 | C | S | . | . | trans | -53.2 | 145.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E341 S343 F344 R365 C366 | E341-A346 HydrophobicContact CB-CB 3.8Å; S343-A346 WeakPolarHBondContact O-CB 3.48Å; S343-A346 PolarHBondContact O-N 2.73Å; S343-A346 VanDerWaalsContact O-N 3.1Å; F344-A346 PolarHBondContact O-N 3.23Å; A346-R365 CarbonylContact O-C 3.54Å; A346-R365 VanDerWaalsContact O-CA 3.27Å; A346-R365 WeakPolarHBondContact O-CA 3.45Å; A346-R365 WeakPolarHBondContact O-CG 3.33Å; A346-C366 PolarHBondContact O-N 2.81Å | ||
| 347 | M | 86.8 | Confident | 83.3 | Confident | 80 Ų | 80 | 64.2 Ų | 64.2 | 39% | 0.394 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.5 | -175.6 | 173.8 | 172.5 | -82.1 | 0 | 0 | 110.6 | Y363 S364 R365 | M347-Y363 HydrophobicContact CE-CD2 3.81Å; M347-Y363 HydrophobicContact CE-CE2 4.16Å; M347-S364 WeakPolarHBondContact CA-O 3.4Å; M347-R365 HydrophobicContact CE-CB 4.21Å |
| 348 | V | 88.2 | Confident | 82.8 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.024 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 149 | 170.5 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | L329 I337 D338 G339 F350 Y363 S364 W372 | L329-V348 HydrophobicContact CD1-CG1 4.4Å; L329-V348 HydrophobicContact CD1-CG2 3.51Å; I337-V348 HydrophobicContact CG2-CB 3.73Å; I337-V348 HydrophobicContact CG2-CG1 4.06Å; I337-V348 HydrophobicContact CG2-CG2 4.13Å; D338-V348 WeakPolarHBondContact O-CA 3.45Å; G339-V348 WeakPolarHBondContact O-CG1 3.5Å; V348-F350 HydrophobicContact CG2-CD1 4.47Å; V348-F350 HydrophobicContact CG2-CE1 3.7Å; V348-F350 HydrophobicContact CG2-CZ 3.74Å; V348-Y363 VanDerWaalsContact O-CA 3.28Å; V348-Y363 WeakPolarHBondContact O-CA 3.39Å; V348-Y363 WeakPolarHBondContact O-CB 3.41Å; V348-S364 PolarHBondContact N-O 3.48Å; V348-S364 PolarHBondContact O-N 3.41Å; V348-W372 HydrophobicContact CG1-CH2 3.87Å; V348-W372 HydrophobicContact CG1-CZ3 4.15Å; V348-W372 HydrophobicContact CG2-CE3 4.44Å; V348-W372 HydrophobicContact CG2-CZ3 4.1Å |
| 349 | I | 89 | Confident | 82.4 | Confident | 71 Ų | 71 | 67.7 Ų | 67.7 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.3 | 173.9 | -58.4 | 173.1 | 0 | 0 | 0 | 108.6 | D338 R351 | D338-I349 HydrophobicContact CB-CB 4.22Å; D338-I349 PolarHBondContact N-O 3.06Å; D338-I349 PolarHBondContact O-N 3.09Å; I349-R351 HydrophobicContact CG2-CG 4.35Å |
| 350 | F | 89.5 | Confident | 82.4 | Confident | 11 Ų | 11 | 68.3 Ų | 68.3 | 5% | 0.048 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 121.3 | -179.3 | -56.4 | -57.6 | 0 | 0 | 0 | 110.1 | L329 L332 I337 V348 A361 P362 L376 P377 | L329-F350 HydrophobicContact CD1-CE1 4.05Å; L329-F350 HydrophobicContact CD1-CZ 4.1Å; L332-F350 HydrophobicContact CD2-CB 3.98Å; L332-F350 HydrophobicContact CD2-CD1 4.26Å; I337-F350 HydrophobicContact CD1-CE1 4.34Å; I337-F350 HydrophobicContact CG1-CD1 4.16Å; I337-F350 HydrophobicContact CG1-CE1 4.38Å; I337-F350 HydrophobicContact CG2-CD1 4.25Å; I337-F350 HydrophobicContact CG2-CE1 4.21Å; V348-F350 HydrophobicContact CG2-CD1 4.47Å; V348-F350 HydrophobicContact CG2-CE1 3.7Å; V348-F350 HydrophobicContact CG2-CZ 3.74Å; F350-A361 WeakPolarHBondContact CD2-O 3.46Å; F350-P362 PolarHBondContact N-O 2.9Å; F350-L376 HydrophobicContact CD1-CD2 4.37Å; F350-L376 HydrophobicContact CE1-CD2 3.78Å; F350-L376 HydrophobicContact CZ-CD2 4.35Å; F350-P377 HydrophobicContact CB-CG 3.58Å; F350-P377 HydrophobicContact CD1-CG 4.35Å; F350-P377 HydrophobicContact CD2-CG 3.55Å; F350-P377 VanDerWaalsContact CE2-CD 3.49Å; F350-P377 HydrophobicContact CE2-CG 4.26Å; F350-P377 HydrophobicContact CG-CG 3.58Å |
| 351 | R | 87.3 | Confident | 82.7 | Confident | 110 Ų | 110 | 62.1 Ų | 62.1 | 42% | 0.415 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 117.4 | -177.8 | -61.9 | 174.7 | -176.2 | -87 | 8.3 | 109 | G335 F336 D338 I349 | G335-R351 CarbonylContact C-O 3.48Å; G335-R351 WeakPolarHBondContact CA-O 3.04Å; F336-R351 HydrophobicContact CD1-CB 3.92Å; F336-R351 HydrophobicContact CD2-CB 4.24Å; F336-R351 HydrophobicContact CE1-CB 3.61Å; F336-R351 HydrophobicContact CE2-CB 3.98Å; F336-R351 HydrophobicContact CE2-CG 4.27Å; F336-R351 HydrophobicContact CG-CB 4.22Å; F336-R351 HydrophobicContact CZ-CB 3.65Å; F336-R351 VanDerWaalsContact CZ-CD 3.48Å; F336-R351 HydrophobicContact CZ-CG 4.22Å; F336-R351 PolarHBondContact N-O 2.77Å; F336-R351 PolarHBondContact O-N 3.23Å; D338-R351 IonicContact OD2-CZ 3.7Å; D338-R351 IonicContact OD2-NE 2.71Å; D338-R351 PolarHBondContact OD2-NE 2.77Å; D338-R351 IonicContact OD2-NH2 3.21Å; D338-R351 PolarHBondContact OD2-NH2 2.93Å; I349-R351 HydrophobicContact CG2-CG 4.35Å |
| 352 | C | 84.8 | Confident | 82.8 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 19% | 0.189 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 158.4 | 172.9 | -61.2 | 0 | 0 | 0 | 0 | 111 | M356 C379 | C352-M356 HydrophobicContact CB-CB 4.25Å; C352-C379 WeakPolarHBondContact CA-SG 3.36Å; C352-C379 HydrophobicContact CB-CB 3.69Å; C352-C379 WeakPolarHBondContact CB-SG 3.33Å; C352-C379 VanDerWaalsContact SG-CA 3.51Å; C352-C379 WeakPolarHBondContact SG-CB 3.29Å; C352-C379 CovalentContact SG-SG 2.04Å; C352-C379 PolarHBondContact SG-SG 3.39Å |
| 353 | L | 82.3 | Confident | 83.2 | Confident | 89 Ų | 89 | 61.6 Ų | 61.6 | 47% | 0.466 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 153 | 168.3 | -65.7 | 172.3 | 0 | 0 | 0 | 110.8 | N334 M356 | N334-L353 WeakPolarHBondContact O-CG 3.37Å; N334-L353 PolarHBondContact O-N 2.82Å; L353-M356 HydrophobicContact CB-CE 4.13Å; L353-M356 HydrophobicContact CD1-CE 4.29Å; L353-M356 WeakPolarHBondContact O-CB 3.48Å; L353-M356 PolarHBondContact O-N 2.83Å; L353-M356 VanDerWaalsContact O-N 3.07Å |
| 354 | D | 79.2 | Confident | 83.5 | Confident | 166 Ų | 166 | 59.8 Ų | 59.8 | 89% | 0.888 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 139.5 | -174.8 | -67.1 | -43.6 | 0 | 0 | 0 | 113.1 | M356 | D354-M356 PolarHBondContact O-N 2.81Š|
| 355 | G | 71.9 | Confident | 83.9 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 68% | 0.68 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | -1.8 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | P382 | G355-P382 WeakPolarHBondContact O-CD 3.38Å; G355-P382 WeakPolarHBondContact O-CG 3.02Å |
| 356 | M | 78.9 | Confident | 84.1 | Confident | 53 Ų | 53 | 61.2 Ų | 61.2 | 26% | 0.261 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -100.2 | 145.1 | 177.6 | -51.3 | -155.5 | -158.7 | 0 | 0 | 112.5 | N334 C352 L353 D354 A381 | N334-M356 HydrophobicContact CB-CE 4.42Å; N334-M356 HydrophobicContact CB-SD 3.64Å; C352-M356 HydrophobicContact CB-CB 4.25Å; L353-M356 HydrophobicContact CB-CE 4.13Å; L353-M356 HydrophobicContact CD1-CE 4.29Å; L353-M356 WeakPolarHBondContact O-CB 3.48Å; L353-M356 PolarHBondContact O-N 2.83Å; L353-M356 VanDerWaalsContact O-N 3.07Å; D354-M356 PolarHBondContact O-N 2.81Å; M356-A381 HydrophobicContact SD-CB 3.88Å |
| 357 | T | 73.4 | Confident | 84 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 34% | 0.344 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 136.9 | -175.2 | 52 | 0 | 0 | 0 | 0 | 111.1 | M380 | T357-M380 PolarHBondContact N-O 2.98Å; T357-M380 PolarHBondContact O-N 2.81Å; T357-M380 PolarHBondContact OG1-O 2.04Å |
| 358 | H | 77.6 | Confident | 83.7 | Confident | 102 Ų | 102 | 69.1 Ų | 69.1 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 131.9 | 175.9 | 69.6 | -95.1 | 0 | 0 | 0 | 110.9 | ||
| 359 | L | 79.3 | Confident | 83.3 | Confident | 91 Ų | 91 | 74 Ų | 74 | 48% | 0.476 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 100.5 | 173.7 | -163.2 | 153.6 | 0 | 0 | 0 | 108.9 | P377 S378 M380 H404 | L359-P377 WeakPolarHBondContact O-CA 3.5Å; L359-S378 PolarHBondContact N-O 2.96Å; L359-S378 PolarHBondContact O-N 3.47Å; L359-M380 HydrophobicContact CB-CE 4.42Å; L359-M380 HydrophobicContact CB-CG 4.11Å; L359-M380 HydrophobicContact CD1-CE 4.15Å; L359-H404 WeakPolarHBondContact CD1-NE2 3.41Å |
| 360 | G | 80.6 | Confident | 82.9 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 53% | 0.526 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 141.5 | -165.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 361 | A | 83.8 | Confident | 82.8 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | trans | -84.8 | 149.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F350 Y363 H374 | F350-A361 WeakPolarHBondContact CD2-O 3.46Å; A361-Y363 VanDerWaalsContact C-N 3.27Å; A361-Y363 PolarHBondContact O-N 2.85Å; A361-H374 HydrophobicContact CB-CB 3.75Å; A361-H374 WeakPolarHBondContact CB-ND1 3.25Å | ||
| 362 | P | 86.4 | Confident | 82.8 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -80.3 | -1.7 | 178.8 | 31.3 | -34.7 | 0 | 0 | 0 | 114.2 | F350 | F350-P362 PolarHBondContact N-O 2.9Š|
| 363 | Y | 91.5 | Very high | 83.1 | Confident | 108 Ų | 108 | 69 Ų | 69 | 42% | 0.424 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 163.3 | 176.3 | 65.9 | -95.2 | 0 | 0 | 0 | 111.2 | M347 V348 A361 H374 | M347-Y363 HydrophobicContact CE-CD2 3.81Å; M347-Y363 HydrophobicContact CE-CE2 4.16Å; V348-Y363 VanDerWaalsContact O-CA 3.28Å; V348-Y363 WeakPolarHBondContact O-CA 3.39Å; V348-Y363 WeakPolarHBondContact O-CB 3.41Å; A361-Y363 VanDerWaalsContact C-N 3.27Å; A361-Y363 PolarHBondContact O-N 2.85Å; Y363-H374 PolarHBondContact O-ND1 2.72Å |
| 364 | S | 90 | Very high | 83.3 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 142 | 169.5 | -155.3 | 0 | 0 | 0 | 0 | 111.7 | M347 V348 W372 S373 H374 | M347-S364 WeakPolarHBondContact CA-O 3.4Å; V348-S364 PolarHBondContact N-O 3.48Å; V348-S364 PolarHBondContact O-N 3.41Å; S364-W372 WeakPolarHBondContact OG-CB 3Å; S364-S373 PolarHBondContact OG-N 2.81Å; S364-S373 PolarHBondContact OG-OG 2.92Å; S364-H374 WeakPolarHBondContact CB-O 3.31Å; S364-H374 PolarHBondContact OG-N 3.1Å; S364-H374 PolarHBondContact OG-O 2.69Å |
| 365 | R | 91 | Very high | 83.6 | Confident | 119 Ų | 119 | 65 Ų | 65 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 139.2 | 175.1 | -168.6 | -171.9 | -71.6 | -85.2 | 9.1 | 109.8 | G345 A346 M347 Q367 S373 | G345-R365 WeakPolarHBondContact O-CG 3.32Å; G345-R365 PolarHBondContact O-NH1 3.4Å; A346-R365 CarbonylContact O-C 3.54Å; A346-R365 VanDerWaalsContact O-CA 3.27Å; A346-R365 WeakPolarHBondContact O-CA 3.45Å; A346-R365 WeakPolarHBondContact O-CG 3.33Å; M347-R365 HydrophobicContact CE-CB 4.21Å; R365-Q367 PolarHBondContact O-N 2.97Å; R365-S373 PolarHBondContact N-OG 2.78Å; R365-S373 WeakPolarHBondContact O-CB 3.37Å; R365-S373 PolarHBondContact O-N 2.95Å |
| 366 | C | 88.1 | Confident | 84.1 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.007 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -67.7 | 122.7 | 171.8 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | C326 S343 G345 A346 W372 | C326-C366 HydrophobicContact CB-CB 3.85Å; C326-C366 WeakPolarHBondContact CB-SG 3.06Å; C326-C366 WeakPolarHBondContact SG-CA 3.13Å; C326-C366 WeakPolarHBondContact SG-CB 3.38Å; C326-C366 CovalentContact SG-SG 2.03Å; C326-C366 PolarHBondContact SG-SG 2.86Å; S343-C366 VanDerWaalsContact O-CB 3.27Å; S343-C366 WeakPolarHBondContact O-CB 3.25Å; S343-C366 PolarHBondContact O-SG 3.25Å; G345-C366 PolarHBondContact N-O 2.97Å; G345-C366 VanDerWaalsContact N-O 3.09Å; A346-C366 PolarHBondContact O-N 2.81Å; C366-W372 HydrophobicContact CB-CE3 4.29Å; C366-W372 HydrophobicContact CB-CH2 4.24Å; C366-W372 HydrophobicContact CB-CZ3 4.09Å |
| 367 | Q | 84.9 | Confident | 84.4 | Confident | 84 Ų | 84 | 62.6 Ų | 62.6 | 39% | 0.393 | 33% | 0.334 | S | S | . | . | trans | -99.7 | 164.6 | -174.5 | -57.8 | -165.9 | -62.8 | 0 | 0 | 112.4 | V324 R365 D369 G370 S371 | V324-Q367 WeakPolarHBondContact CG1-O 3.46Å; R365-Q367 PolarHBondContact O-N 2.97Å; Q367-D369 PolarHBondContact O-N 2.83Å; Q367-G370 PolarHBondContact O-N 3.08Å; Q367-S371 WeakPolarHBondContact CB-O 3.33Å; Q367-S371 PolarHBondContact N-O 2.04Å | ||
| 368 | K | 79.8 | Confident | 84.9 | Confident | 169 Ų | 169 | 62.7 Ų | 62.7 | 74% | 0.735 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -8.8 | -174.6 | 67.4 | -176.4 | 178.4 | -172.4 | 0 | 116.1 | F344 | F344-K368 HydrophobicContact CD2-CB 4.49Å; F344-K368 HydrophobicContact CE2-CB 3.81Å |
| 369 | D | 79.9 | Confident | 85.2 | Confident | 107 Ų | 107 | 58 Ų | 58 | 57% | 0.572 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -2.6 | 175.8 | 62.9 | -4.1 | 0 | 0 | 0 | 113.2 | Q367 S371 | Q367-D369 PolarHBondContact O-N 2.83Å; D369-S371 VanDerWaalsContact CG-OG 3.28Å; D369-S371 VanDerWaalsContact OD1-CB 3.3Å; D369-S371 WeakPolarHBondContact OD1-CB 3.02Å; D369-S371 PolarHBondContact OD1-N 3.38Å; D369-S371 PolarHBondContact OD1-OG 2.89Å; D369-S371 PolarHBondContact OD2-OG 3.47Å |
| 370 | G | 81 | Confident | 85.2 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 12% | 0.124 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 82.2 | 15.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V324 P327 Q367 | V324-G370 VanDerWaalsContact CG1-CA 3.49Å; V324-G370 VanDerWaalsContact CG1-N 3.33Å; P327-G370 VanDerWaalsContact CD-O 3.23Å; P327-G370 WeakPolarHBondContact CD-O 3.13Å; Q367-G370 PolarHBondContact O-N 3.08Å |
| 371 | S | 87.3 | Confident | 85 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 32% | 0.315 | 28% | 0.282 | S | S | . | . | trans | -103 | 156.7 | 171.9 | 80 | 0 | 0 | 0 | 0 | 112.2 | C326 Q367 D369 | C326-S371 PolarHBondContact SG-O 3.5Å; Q367-S371 WeakPolarHBondContact CB-O 3.33Å; Q367-S371 PolarHBondContact N-O 2.04Å; D369-S371 VanDerWaalsContact CG-OG 3.28Å; D369-S371 VanDerWaalsContact OD1-CB 3.3Å; D369-S371 WeakPolarHBondContact OD1-CB 3.02Å; D369-S371 PolarHBondContact OD1-N 3.38Å; D369-S371 PolarHBondContact OD1-OG 2.89Å; D369-S371 PolarHBondContact OD2-OG 3.47Å | ||
| 372 | W | 87.5 | Confident | 84.8 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 10% | 0.102 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -86.5 | 128.8 | 172.4 | -75.7 | 103.8 | 0 | 0 | 0 | 109.5 | C326 P327 L329 T342 V348 S364 C366 H374 | C326-W372 HydrophobicContact CB-CD2 4.2Å; C326-W372 HydrophobicContact CB-CG 4.37Å; C326-W372 HydrophobicContact CB-CZ2 4.03Å; P327-W372 PolarHBondContact O-NE1 2.86Å; L329-W372 HydrophobicContact CD1-CD2 3.84Å; L329-W372 HydrophobicContact CD1-CE3 4.23Å; L329-W372 HydrophobicContact CD1-CG 4.22Å; L329-W372 HydrophobicContact CD1-CH2 4.45Å; L329-W372 HydrophobicContact CD1-CZ2 4.07Å; L329-W372 HydrophobicContact CD2-CB 4.42Å; L329-W372 HydrophobicContact CD2-CD2 4.34Å; L329-W372 HydrophobicContact CD2-CG 3.87Å; L329-W372 HydrophobicContact CG-CD2 4.17Å; L329-W372 HydrophobicContact CG-CG 4.2Å; L329-W372 HydrophobicContact CG-CZ2 4.33Å; T342-W372 HydrophobicContact CG2-CZ2 4.4Å; V348-W372 HydrophobicContact CG1-CH2 3.87Å; V348-W372 HydrophobicContact CG1-CZ3 4.15Å; V348-W372 HydrophobicContact CG2-CE3 4.44Å; V348-W372 HydrophobicContact CG2-CZ3 4.1Å; S364-W372 WeakPolarHBondContact OG-CB 3Å; C366-W372 HydrophobicContact CB-CE3 4.29Å; C366-W372 HydrophobicContact CB-CH2 4.24Å; C366-W372 HydrophobicContact CB-CZ3 4.09Å; W372-H374 PolarHBondContact O-N 2.91Å |
| 373 | S | 90.3 | Very high | 84.6 | Confident | 31 Ų | 31 | 51.9 Ų | 51.9 | 22% | 0.217 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -52.2 | -29.6 | -172.1 | 66.4 | 0 | 0 | 0 | 0 | 114.9 | S364 R365 | S364-S373 PolarHBondContact OG-N 2.81Å; S364-S373 PolarHBondContact OG-OG 2.92Å; R365-S373 PolarHBondContact N-OG 2.78Å; R365-S373 WeakPolarHBondContact O-CB 3.37Å; R365-S373 PolarHBondContact O-N 2.95Å |
| 374 | H | 86.5 | Confident | 84.1 | Confident | 64 Ų | 64 | 54.5 Ų | 54.5 | 30% | 0.296 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -133 | 144.4 | 169.1 | -51.7 | 116 | 0 | 0 | 0 | 109.4 | A361 Y363 S364 W372 | A361-H374 HydrophobicContact CB-CB 3.75Å; A361-H374 WeakPolarHBondContact CB-ND1 3.25Å; Y363-H374 PolarHBondContact O-ND1 2.72Å; S364-H374 WeakPolarHBondContact CB-O 3.31Å; S364-H374 PolarHBondContact OG-N 3.1Å; S364-H374 PolarHBondContact OG-O 2.69Å; W372-H374 PolarHBondContact O-N 2.91Å |
| 375 | P | 85 | Confident | 83.5 | Confident | 107 Ų | 107 | 56.9 Ų | 56.9 | 70% | 0.695 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 168.7 | 170.9 | 31.8 | -36.2 | 0 | 0 | 0 | 111.1 | ||
| 376 | L | 83.9 | Confident | 82.6 | Confident | 62 Ų | 62 | 52 Ų | 52 | 33% | 0.325 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -50.5 | 123.5 | 170.1 | -77.4 | 167 | 0 | 0 | 0 | 110.6 | L329 L332 I337 F350 | L329-L376 HydrophobicContact CB-CD2 4.29Å; L329-L376 HydrophobicContact CD2-CD2 4.47Å; L329-L376 HydrophobicContact CD2-CG 4.2Å; L332-L376 HydrophobicContact CB-CD2 4.43Å; I337-L376 HydrophobicContact CD1-CD2 3.72Å; F350-L376 HydrophobicContact CD1-CD2 4.37Å; F350-L376 HydrophobicContact CE1-CD2 3.78Å; F350-L376 HydrophobicContact CZ-CD2 4.35Å |
| 377 | P | 84.8 | Confident | 82 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 5% | 0.045 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 162.2 | 172.4 | 30.7 | -35.4 | 0 | 0 | 0 | 110.1 | L332 F350 L359 | L332-P377 HydrophobicContact CD1-CG 4.2Å; L332-P377 WeakPolarHBondContact CD1-O 3.42Å; F350-P377 HydrophobicContact CB-CG 3.58Å; F350-P377 HydrophobicContact CD1-CG 4.35Å; F350-P377 HydrophobicContact CD2-CG 3.55Å; F350-P377 VanDerWaalsContact CE2-CD 3.49Å; F350-P377 HydrophobicContact CE2-CG 4.26Å; F350-P377 HydrophobicContact CG-CG 3.58Å; L359-P377 WeakPolarHBondContact O-CA 3.5Å |
| 378 | S | 84.2 | Confident | 81.5 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 41% | 0.406 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 121 | 170 | -62.4 | 0 | 0 | 0 | 0 | 109.8 | L359 M380 | L359-S378 PolarHBondContact N-O 2.96Å; L359-S378 PolarHBondContact O-N 3.47Å; S378-M380 PolarHBondContact O-N 3.42Å |
| 379 | C | 84.1 | Confident | 81.3 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 3% | 0.027 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 103.3 | 171 | -69.8 | 0 | 0 | 0 | 0 | 109.4 | W333 N334 C352 | W333-C379 WeakPolarHBondContact O-CB 3.28Å; N334-C379 HydrophobicContact CB-CB 3.76Å; N334-C379 WeakPolarHBondContact CB-O 3.35Å; N334-C379 PolarHBondContact ND2-O 2.95Å; N334-C379 VanDerWaalsContact ND2-O 3.08Å; N334-C379 VanDerWaalsContact O-CB 3.29Å; N334-C379 WeakPolarHBondContact O-CB 3.44Å; C352-C379 WeakPolarHBondContact CA-SG 3.36Å; C352-C379 HydrophobicContact CB-CB 3.69Å; C352-C379 WeakPolarHBondContact CB-SG 3.33Å; C352-C379 VanDerWaalsContact SG-CA 3.51Å; C352-C379 WeakPolarHBondContact SG-CB 3.29Å; C352-C379 CovalentContact SG-SG 2.04Å; C352-C379 PolarHBondContact SG-SG 3.39Å |
| 380 | M | 79.5 | Confident | 81.2 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 14% | 0.143 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.4 | -168.9 | -57.8 | -67.7 | -148 | 0 | 0 | 110.4 | T357 L359 S378 H404 N428 | T357-M380 PolarHBondContact N-O 2.98Å; T357-M380 PolarHBondContact O-N 2.81Å; T357-M380 PolarHBondContact OG1-O 2.04Å; L359-M380 HydrophobicContact CB-CE 4.42Å; L359-M380 HydrophobicContact CB-CG 4.11Å; L359-M380 HydrophobicContact CD1-CE 4.15Å; S378-M380 PolarHBondContact O-N 3.42Å; M380-H404 HydrophobicContact CB-CB 3.66Å; M380-H404 WeakPolarHBondContact CB-CD2 3.4Å; M380-H404 WeakPolarHBondContact CG-CD2 3.36Å; M380-N428 WeakPolarHBondContact CA-OD1 3.46Å; M380-N428 HydrophobicContact CB-CB 4.43Å; M380-N428 HydrophobicContact SD-CB 3.67Å; M380-N428 VanDerWaalsContact SD-CG 3.57Å; M380-N428 PolarHBondContact SD-ND2 3.34Å |
| 381 | A | 75.7 | Confident | 81.2 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 16% | 0.157 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 145.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M356 N428 G429 | M356-A381 HydrophobicContact SD-CB 3.88Å; A381-N428 PolarHBondContact N-OD1 3.2Å; A381-N428 CarbonylContact O-C 3.51Å; A381-G429 PolarHBondContact O-N 3.49Å |
| 382 | P | 80.2 | Confident | 81 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 23% | 0.234 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 157.6 | 172.2 | 35 | -37 | 0 | 0 | 0 | 111.1 | G355 P401 V402 | G355-P382 WeakPolarHBondContact O-CD 3.38Å; G355-P382 WeakPolarHBondContact O-CG 3.02Å; P382-P401 HydrophobicContact CB-CB 4.03Å; P382-P401 HydrophobicContact CB-CG 4.32Å; P382-P401 HydrophobicContact CG-CB 4.17Å; P382-P401 HydrophobicContact CG-CG 4.18Å; P382-V402 CarbonylContact C-O 3.46Å; P382-V402 WeakPolarHBondContact CA-O 3.29Å; P382-V402 VanDerWaalsContact CB-O 3.28Å; P382-V402 WeakPolarHBondContact CB-O 3.01Å |
| 383 | C | 81.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -101.2 | 129.5 | -174.3 | -58.9 | 0 | 0 | 0 | 0 | 112 | V402 C426 G429 S430 W431 | C383-V402 PolarHBondContact N-O 2.89Å; C383-V402 PolarHBondContact O-N 2.93Å; C383-C426 HydrophobicContact CB-CB 3.74Å; C383-C426 WeakPolarHBondContact CB-SG 3.12Å; C383-C426 PolarHBondContact N-SG 2.93Å; C383-C426 WeakPolarHBondContact SG-CA 3.42Å; C383-C426 WeakPolarHBondContact SG-CB 3.27Å; C383-C426 CovalentContact SG-SG 2.03Å; C383-C426 PolarHBondContact SG-SG 2.71Å; C383-G429 VanDerWaalsContact SG-C 3.55Å; C383-S430 PolarHBondContact SG-N 3.13Å; C383-S430 VanDerWaalsContact SG-N 3.43Å; C383-W431 HydrophobicContact CB-CD2 4.31Å; C383-W431 HydrophobicContact CB-CH2 4.24Å; C383-W431 HydrophobicContact CB-CZ2 3.61Å |
| 384 | Q | 81.5 | Confident | 80.1 | Confident | 164 Ų | 164 | 62.3 Ų | 62.3 | 77% | 0.766 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 147.8 | 169.5 | -68.9 | -173.7 | -9 | 0 | 0 | 111.6 | W431 | Q384-W431 PolarHBondContact O-NE1 2.78Š|
| 385 | M | 76.4 | Confident | 79.4 | Confident | 49 Ų | 49 | 62.4 Ų | 62.4 | 24% | 0.241 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 126.2 | 179.6 | -94.8 | -68.6 | 107.2 | 0 | 0 | 112.7 | I393 L398 V402 V408 W431 | M385-I393 HydrophobicContact CE-CD1 4.48Å; M385-I393 HydrophobicContact CE-CG2 4.46Å; M385-I393 HydrophobicContact SD-CD1 3.56Å; M385-I393 VanDerWaalsContact SD-CD1 3.56Å; M385-I393 HydrophobicContact SD-CG2 4.14Å; M385-L398 HydrophobicContact CG-CD2 4.42Å; M385-L398 HydrophobicContact SD-CD2 3.94Å; M385-V402 HydrophobicContact CE-CG2 3.45Å; M385-V402 VanDerWaalsContact CE-CG2 3.45Å; M385-V408 HydrophobicContact CE-CG1 3.84Å; M385-W431 HydrophobicContact CE-CH2 4.05Å; M385-W431 HydrophobicContact CE-CZ2 3.89Å |
| 386 | P | 73.5 | Confident | 78.7 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 12% | 0.117 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 134.1 | 179.9 | 32 | -31 | 0 | 0 | 0 | 110.8 | L388 I393 W431 L434 P435 | P386-L388 PolarHBondContact O-N 3.42Å; P386-L388 VanDerWaalsContact O-N 3.13Å; P386-I393 HydrophobicContact CG-CD1 4.14Å; P386-W431 HydrophobicContact CG-CD2 4.47Å; P386-W431 HydrophobicContact CG-CZ2 4.48Å; P386-L434 HydrophobicContact CB-CD2 4.47Å; P386-P435 HydrophobicContact CB-CG 4.19Å; P386-P435 HydrophobicContact CG-CG 3.75Å |
| 387 | K | 74.7 | Confident | 78.1 | Confident | 218 Ų | 218 | 66.5 Ų | 66.5 | 95% | 0.948 | 35% | 0.353 | S | S | * | . | trans | -69.4 | 110.1 | 175 | -64.4 | -172.3 | -179.7 | -174.7 | 0 | 110.3 | ||||
| 388 | L | 74.4 | Confident | 77.5 | Confident | 38 Ų | 38 | 71 Ų | 71 | 20% | 0.199 | 38% | 0.376 | C | S | . | . | trans | -96.6 | 145.6 | -178.8 | -175.3 | 62.1 | 0 | 0 | 0 | 111.5 | P386 G391 I393 I410 P435 | P386-L388 PolarHBondContact O-N 3.42Å; P386-L388 VanDerWaalsContact O-N 3.13Å; L388-G391 VanDerWaalsContact CD2-C 3.43Å; L388-I393 HydrophobicContact CD2-CG1 4.02Å; L388-I410 HydrophobicContact CD2-CD1 4.37Å; L388-I410 HydrophobicContact CD2-CG2 3.49Å; L388-I410 VanDerWaalsContact CD2-CG2 3.49Å; L388-P435 HydrophobicContact CD1-CB 4.09Å; L388-P435 HydrophobicContact CD1-CG 4.41Å | ||
| 389 | S | 76.4 | Confident | 76.9 | Confident | 86 Ų | 86 | 73.1 Ų | 73.1 | 60% | 0.601 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -122.4 | 150.8 | 168.3 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | G391 | S389-G391 PolarHBondContact O-N 2.8Š|
| 390 | N | 77.7 | Confident | 76.5 | Confident | 87 Ų | 87 | 78.4 Ų | 78.4 | 47% | 0.465 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 54.1 | 32.1 | -175.2 | -59 | -4.7 | 0 | 0 | 0 | 114.2 | A413 H416 C437 | N390-A413 WeakPolarHBondContact O-CB 3.08Å; N390-A413 PolarHBondContact O-N 2.96Å; N390-H416 PolarHBondContact ND2-NE2 2.7Å; N390-C437 HydrophobicContact CB-CB 4.12Å; N390-C437 WeakPolarHBondContact O-CB 3.16Å; N390-C437 PolarHBondContact O-SG 2.93Å; N390-C437 VanDerWaalsContact O-SG 3.38Å |
| 391 | G | 79.5 | Confident | 76.5 | Confident | 20 Ų | 20 | 80.2 Ų | 80.2 | 21% | 0.206 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.4 | 173.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L388 S389 R411 | L388-G391 VanDerWaalsContact CD2-C 3.43Å; S389-G391 PolarHBondContact O-N 2.8Å; G391-R411 CarbonylContact C-O 3.56Å; G391-R411 WeakPolarHBondContact CA-O 3.46Å |
| 392 | L | 83.5 | Confident | 76.7 | Confident | 130 Ų | 130 | 79.3 Ų | 79.3 | 68% | 0.681 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 141.9 | -178.3 | -65.3 | 168.5 | 0 | 0 | 0 | 110.2 | I410 R411 | L392-I410 WeakPolarHBondContact O-CA 3.37Å; L392-R411 PolarHBondContact N-O 2.93Å; L392-R411 PolarHBondContact O-N 2.92Å |
| 393 | I | 80.3 | Confident | 76.7 | Confident | 32 Ų | 32 | 79.9 Ų | 79.9 | 16% | 0.164 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 133.2 | 172.8 | -55.4 | 178.5 | 0 | 0 | 0 | 108.2 | M385 P386 L388 L398 V408 I410 | M385-I393 HydrophobicContact CE-CD1 4.48Å; M385-I393 HydrophobicContact CE-CG2 4.46Å; M385-I393 HydrophobicContact SD-CD1 3.56Å; M385-I393 VanDerWaalsContact SD-CD1 3.56Å; M385-I393 HydrophobicContact SD-CG2 4.14Å; P386-I393 HydrophobicContact CG-CD1 4.14Å; L388-I393 HydrophobicContact CD2-CG1 4.02Å; I393-L398 HydrophobicContact CB-CD2 4.48Å; I393-L398 HydrophobicContact CG2-CD2 4.48Å; I393-V408 HydrophobicContact CG2-CB 4.09Å; I393-I410 HydrophobicContact CG1-CD1 4.3Å; I393-I410 HydrophobicContact CG1-CG1 4.18Å |
| 394 | M | 78.2 | Confident | 76.5 | Confident | 81 Ų | 81 | 81.9 Ų | 81.9 | 40% | 0.399 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 96.4 | 175.9 | -67.4 | -179.6 | 62.1 | 0 | 0 | 110.1 | I409 R411 | M394-I409 HydrophobicContact CB-CB 4.16Å; M394-I409 HydrophobicContact CB-CG2 4.32Å; M394-I409 HydrophobicContact CG-CG2 4.45Å; M394-I409 PolarHBondContact N-O 2.81Å; M394-I409 HydrophobicContact SD-CG2 3.78Å; M394-R411 HydrophobicContact CG-CG 4.4Å; M394-R411 HydrophobicContact SD-CG 3.79Å; M394-R411 VanDerWaalsContact SD-CZ 3.52Å; M394-R411 PolarHBondContact SD-NE 2.82Å |
| 395 | R | 72.6 | Confident | 76.2 | Confident | 65 Ų | 65 | 76.4 Ų | 76.4 | 25% | 0.245 | 42% | 0.422 | C | S | . | . | trans | -155.5 | 140.6 | 169.1 | -151 | 173.5 | -170.6 | -105.1 | 4.9 | 106.9 | L398 E406 | R395-L398 HydrophobicContact CB-CD2 4.42Å; R395-E406 IonicContact CZ-OE2 2.72Å; R395-E406 IonicContact NE-OE2 3.87Å; R395-E406 IonicContact NH2-OE2 2.7Å; R395-E406 PolarHBondContact NH2-OE2 3.28Å | ||
| 396 | D | 70.9 | Confident | 76.4 | Confident | 181 Ų | 181 | 78.2 Ų | 78.2 | 97% | 0.968 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -72.3 | -36.7 | -172.4 | -60.6 | -40.7 | 0 | 0 | 0 | 112.2 | ||
| 397 | D | 71.7 | Confident | 76.8 | Confident | 74 Ų | 74 | 82.4 Ų | 82.4 | 40% | 0.396 | 45% | 0.448 | S | S | . | . | trans | -108.9 | 129.6 | 168.1 | -156 | -36.5 | 0 | 0 | 0 | 111.2 | S399 | D397-S399 WeakPolarHBondContact OD1-CA 3.3Å; D397-S399 VanDerWaalsContact OD1-CB 3.27Å; D397-S399 WeakPolarHBondContact OD1-CB 3.42Å; D397-S399 PolarHBondContact OD1-N 2.87Å; D397-S399 PolarHBondContact OD1-OG 2.85Å; D397-S399 PolarHBondContact OD2-OG 2.85Å | ||
| 398 | L | 71.6 | Confident | 77.1 | Confident | 101 Ų | 101 | 72.1 Ų | 72.1 | 53% | 0.529 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -107.9 | -2.8 | 178.4 | -65.2 | 174.4 | 0 | 0 | 0 | 112.8 | M385 I393 R395 | M385-L398 HydrophobicContact CG-CD2 4.42Å; M385-L398 HydrophobicContact SD-CD2 3.94Å; I393-L398 HydrophobicContact CB-CD2 4.48Å; I393-L398 HydrophobicContact CG2-CD2 4.48Å; R395-L398 HydrophobicContact CB-CD2 4.42Å |
| 399 | S | 72.2 | Confident | 77.5 | Confident | 103 Ų | 103 | 74 Ų | 74 | 72% | 0.72 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -88 | -35 | 178.1 | 74.4 | 0 | 0 | 0 | 0 | 112.5 | D397 | D397-S399 WeakPolarHBondContact OD1-CA 3.3Å; D397-S399 VanDerWaalsContact OD1-CB 3.27Å; D397-S399 WeakPolarHBondContact OD1-CB 3.42Å; D397-S399 PolarHBondContact OD1-N 2.87Å; D397-S399 PolarHBondContact OD1-OG 2.85Å; D397-S399 PolarHBondContact OD2-OG 2.85Å |
| 400 | E | 74.9 | Confident | 77.7 | Confident | 116 Ų | 116 | 70.6 Ų | 70.6 | 54% | 0.542 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -71.4 | 138 | 176.4 | -67.8 | -161.1 | 144.2 | 0 | 0 | 112.7 | ||
| 401 | P | 78.7 | Confident | 78 | Confident | 67 Ų | 67 | 74.3 Ų | 74.3 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 141.4 | 174 | 34.1 | -35.9 | 0 | 0 | 0 | 110.5 | P382 | P382-P401 HydrophobicContact CB-CB 4.03Å; P382-P401 HydrophobicContact CB-CG 4.32Å; P382-P401 HydrophobicContact CG-CB 4.17Å; P382-P401 HydrophobicContact CG-CG 4.18Å |
| 402 | V | 80.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -79.5 | 127.7 | -171.8 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | P382 C383 M385 E406 V408 C426 W431 | P382-V402 CarbonylContact C-O 3.46Å; P382-V402 WeakPolarHBondContact CA-O 3.29Å; P382-V402 VanDerWaalsContact CB-O 3.28Å; P382-V402 WeakPolarHBondContact CB-O 3.01Å; C383-V402 PolarHBondContact N-O 2.89Å; C383-V402 PolarHBondContact O-N 2.93Å; M385-V402 HydrophobicContact CE-CG2 3.45Å; M385-V402 VanDerWaalsContact CE-CG2 3.45Å; V402-E406 HydrophobicContact CG1-CB 3.62Å; V402-V408 HydrophobicContact CG1-CG1 4.28Å; V402-V408 HydrophobicContact CG2-CG1 4.1Å; V402-C426 HydrophobicContact CG1-CB 4.22Å; V402-C426 PolarHBondContact O-SG 2.75Å; V402-C426 VanDerWaalsContact O-SG 3.33Å; V402-W431 HydrophobicContact CB-CH2 3.75Å; V402-W431 HydrophobicContact CB-CZ2 4.2Å; V402-W431 HydrophobicContact CG1-CH2 3.9Å; V402-W431 HydrophobicContact CG2-CH2 3.81Å; V402-W431 HydrophobicContact CG2-CZ2 4.16Å |
| 403 | P | 79.2 | Confident | 78 | Confident | 47 Ų | 47 | 71.1 Ų | 71.1 | 31% | 0.305 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 150.9 | 177.3 | -25.5 | 34.6 | 0 | 0 | 0 | 113.4 | G405 E406 C426 | P403-G405 PolarHBondContact O-N 2.64Å; P403-E406 HydrophobicContact CB-CG 4.43Å; P403-E406 PolarHBondContact O-N 2.87Å; P403-C426 WeakPolarHBondContact O-CB 3.42Å |
| 404 | H | 77 | Confident | 77.8 | Confident | 43 Ų | 43 | 74.2 Ų | 74.2 | 20% | 0.199 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 133 | 173.4 | 173.9 | 49.1 | 0 | 0 | 0 | 111.1 | L359 M380 C426 N428 | L359-H404 WeakPolarHBondContact CD1-NE2 3.41Å; M380-H404 HydrophobicContact CB-CB 3.66Å; M380-H404 WeakPolarHBondContact CB-CD2 3.4Å; M380-H404 WeakPolarHBondContact CG-CD2 3.36Å; H404-C426 PolarHBondContact ND1-O 3.36Å; H404-N428 PolarHBondContact ND1-N 2.9Å |
| 405 | G | 75.7 | Confident | 77.2 | Confident | 49 Ų | 49 | 77.9 Ų | 77.9 | 51% | 0.505 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | -19.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P403 C426 | P403-G405 PolarHBondContact O-N 2.64Å; G405-C426 PolarHBondContact N-O 3.21Å |
| 406 | E | 82.1 | Confident | 77.4 | Confident | 87 Ų | 87 | 76.9 Ų | 76.9 | 41% | 0.407 | 42% | 0.42 | S | S | . | . | trans | -69.8 | 150.9 | 170 | -80.3 | -156.9 | 163.8 | 0 | 0 | 112 | R395 V402 P403 V425 C426 | R395-E406 IonicContact CZ-OE2 2.72Å; R395-E406 IonicContact NE-OE2 3.87Å; R395-E406 IonicContact NH2-OE2 2.7Å; R395-E406 PolarHBondContact NH2-OE2 3.28Å; V402-E406 HydrophobicContact CG1-CB 3.62Å; P403-E406 HydrophobicContact CB-CG 4.43Å; P403-E406 PolarHBondContact O-N 2.87Å; E406-V425 CarbonylContact O-C 3.52Å; E406-V425 WeakPolarHBondContact O-CA 3.43Å; E406-V425 WeakPolarHBondContact O-CG1 3.45Å; E406-C426 PolarHBondContact O-N 2.81Å | ||
| 407 | H | 80.9 | Confident | 77.5 | Confident | 106 Ų | 106 | 71 Ų | 71 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | B | Isolated β-bridge | trans | -117.6 | 144.7 | 175.6 | 68.6 | -91.6 | 0 | 0 | 0 | 110.7 | N423 P424 V425 | H407-N423 HydrophobicContact CB-CB 4.2Å; H407-P424 CarbonylContact C-O 3.59Å; H407-P424 VanDerWaalsContact CA-O 3.23Å; H407-P424 WeakPolarHBondContact CA-O 3.43Å; H407-V425 HydrophobicContact CB-CG2 4.09Å |
| 408 | V | 81.3 | Confident | 77.7 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | trans | -106.7 | 124.1 | -179.3 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | M385 I393 V402 I410 N423 P424 W431 | M385-V408 HydrophobicContact CE-CG1 3.84Å; I393-V408 HydrophobicContact CG2-CB 4.09Å; V402-V408 HydrophobicContact CG1-CG1 4.28Å; V402-V408 HydrophobicContact CG2-CG1 4.1Å; V408-I410 HydrophobicContact CG2-CD1 4.32Å; V408-N423 WeakPolarHBondContact O-CB 3.4Å; V408-P424 HydrophobicContact CG2-CB 4.08Å; V408-P424 HydrophobicContact CG2-CG 4.2Å; V408-P424 PolarHBondContact N-O 2.98Å; V408-W431 HydrophobicContact CB-CH2 4.43Å; V408-W431 HydrophobicContact CB-CZ3 4.42Å; V408-W431 HydrophobicContact CG1-CH2 3.61Å; V408-W431 HydrophobicContact CG1-CZ3 3.93Å; V408-W431 HydrophobicContact CG2-CE3 4.32Å; V408-W431 HydrophobicContact CG2-CH2 3.9Å; V408-W431 HydrophobicContact CG2-CZ3 3.65Å | ||
| 409 | I | 81.8 | Confident | 77.6 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 40% | 0.395 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 133.8 | -178.8 | -60.6 | 172.9 | 0 | 0 | 0 | 108.8 | M394 | M394-I409 HydrophobicContact CB-CB 4.16Å; M394-I409 HydrophobicContact CB-CG2 4.32Å; M394-I409 HydrophobicContact CG-CG2 4.45Å; M394-I409 PolarHBondContact N-O 2.81Å; M394-I409 HydrophobicContact SD-CG2 3.78Å |
| 410 | I | 81.7 | Confident | 77.5 | Confident | 14 Ų | 14 | 67.5 Ų | 67.5 | 7% | 0.072 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 132 | -174.5 | -63.3 | 179.9 | 0 | 0 | 0 | 111.4 | L388 L392 I393 V408 L418 P424 P435 | L388-I410 HydrophobicContact CD2-CD1 4.37Å; L388-I410 HydrophobicContact CD2-CG2 3.49Å; L388-I410 VanDerWaalsContact CD2-CG2 3.49Å; L392-I410 WeakPolarHBondContact O-CA 3.37Å; I393-I410 HydrophobicContact CG1-CD1 4.3Å; I393-I410 HydrophobicContact CG1-CG1 4.18Å; V408-I410 HydrophobicContact CG2-CD1 4.32Å; I410-L418 HydrophobicContact CB-CD2 4.14Å; I410-L418 HydrophobicContact CG2-CD2 3.84Å; I410-P424 HydrophobicContact CD1-CG 3.81Å; I410-P435 HydrophobicContact CD1-CB 3.27Å; I410-P435 HydrophobicContact CD1-CG 3.68Å |
| 411 | R | 84.1 | Confident | 77.1 | Confident | 165 Ų | 165 | 67.8 Ų | 67.8 | 62% | 0.623 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 114.2 | 172.5 | -70.9 | -177.3 | 176.4 | 166.9 | 4.6 | 109.9 | G391 L392 M394 | G391-R411 CarbonylContact C-O 3.56Å; G391-R411 WeakPolarHBondContact CA-O 3.46Å; L392-R411 PolarHBondContact N-O 2.93Å; L392-R411 PolarHBondContact O-N 2.92Å; M394-R411 HydrophobicContact CG-CG 4.4Å; M394-R411 HydrophobicContact SD-CG 3.79Å; M394-R411 VanDerWaalsContact SD-CZ 3.52Å; M394-R411 PolarHBondContact SD-NE 2.82Å |
| 412 | C | 82.6 | Confident | 76.9 | Confident | 35 Ų | 35 | 71.3 Ų | 71.3 | 24% | 0.236 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 151.8 | 172.2 | -66.6 | 0 | 0 | 0 | 0 | 112.1 | H416 C437 | C412-H416 HydrophobicContact CB-CB 4.15Å; C412-H416 WeakPolarHBondContact CB-O 3.38Å; C412-C437 WeakPolarHBondContact CA-SG 3.47Å; C412-C437 HydrophobicContact CB-CB 3.65Å; C412-C437 WeakPolarHBondContact CB-SG 3.4Å; C412-C437 WeakPolarHBondContact SG-CA 3.33Å; C412-C437 WeakPolarHBondContact SG-CB 3.48Å; C412-C437 CovalentContact SG-SG 2.04Å; C412-C437 PolarHBondContact SG-SG 3.3Å |
| 413 | A | 80.4 | Confident | 76.8 | Confident | 49 Ų | 49 | 73.9 Ų | 73.9 | 41% | 0.405 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 161.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N390 H416 | N390-A413 WeakPolarHBondContact O-CB 3.08Å; N390-A413 PolarHBondContact O-N 2.96Å; A413-H416 WeakPolarHBondContact O-CB 3.38Å; A413-H416 PolarHBondContact O-N 2.91Å |
| 414 | S | 74.8 | Confident | 76.9 | Confident | 97 Ų | 97 | 71.6 Ų | 71.6 | 68% | 0.678 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | 144 | -177.7 | -53 | 0 | 0 | 0 | 0 | 113.6 | H416 | S414-H416 PolarHBondContact O-N 2.88Å; S414-H416 VanDerWaalsContact O-N 3.17Å; S414-H416 PolarHBondContact O-ND1 2.79Å |
| 415 | F | 67.4 | Low | 77.3 | Confident | 158 Ų | 158 | 71.7 Ų | 71.7 | 69% | 0.693 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 4.7 | -174.3 | -48.1 | -77.3 | 0 | 0 | 0 | 116.1 | S440 | F415-S440 PolarHBondContact O-N 2.83Š|
| 416 | H | 75.1 | Confident | 77.6 | Confident | 44 Ų | 44 | 69.3 Ų | 69.3 | 20% | 0.204 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 142.8 | 173 | -57.9 | 73.4 | 0 | 0 | 0 | 111.5 | N390 C412 A413 S414 C437 V438 | N390-H416 PolarHBondContact ND2-NE2 2.7Å; C412-H416 HydrophobicContact CB-CB 4.15Å; C412-H416 WeakPolarHBondContact CB-O 3.38Å; A413-H416 WeakPolarHBondContact O-CB 3.38Å; A413-H416 PolarHBondContact O-N 2.91Å; S414-H416 PolarHBondContact O-N 2.88Å; S414-H416 VanDerWaalsContact O-N 3.17Å; S414-H416 PolarHBondContact O-ND1 2.79Å; H416-C437 HydrophobicContact CB-CB 3.95Å; H416-C437 PolarHBondContact CD2-O 2.02Å; H416-V438 CarbonylContact C-O 3.59Å; H416-V438 WeakPolarHBondContact CA-O 3.49Å |
| 417 | E | 74.7 | Confident | 77.3 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 162.5 | 172 | 66.3 | -173.9 | -134.8 | 0 | 0 | 109.3 | C437 V438 S440 R441 | E417-C437 CarbonylContact O-C 3.57Å; E417-C437 WeakPolarHBondContact O-CA 3.45Å; E417-V438 HydrophobicContact CG-CG2 4.12Å; E417-V438 PolarHBondContact N-O 3.27Å; E417-V438 PolarHBondContact O-N 2.9Å; E417-S440 WeakPolarHBondContact OE2-CA 3.06Å; E417-S440 VanDerWaalsContact OE2-CB 3.27Å; E417-S440 WeakPolarHBondContact OE2-CB 3.35Å; E417-S440 PolarHBondContact OE2-OG 2.88Å; E417-R441 IonicContact OE1-CZ 3.11Å; E417-R441 IonicContact OE1-NE 2.66Å; E417-R441 PolarHBondContact OE1-NE 3.1Å; E417-R441 IonicContact OE1-NH2 2.79Å; E417-R441 PolarHBondContact OE1-NH2 3.4Å; E417-R441 PolarHBondContact OE2-N 2.96Å |
| 418 | L | 74.4 | Confident | 77.1 | Confident | 36 Ų | 36 | 66 Ų | 66 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 140 | 170 | -73.5 | 166.7 | 0 | 0 | 0 | 110.2 | I410 Y420 R436 R441 | I410-L418 HydrophobicContact CB-CD2 4.14Å; I410-L418 HydrophobicContact CG2-CD2 3.84Å; L418-Y420 WeakPolarHBondContact CB-O 3.28Å; L418-Y420 PolarHBondContact O-N 3.41Å; L418-Y420 VanDerWaalsContact O-N 3.11Å; L418-R436 WeakPolarHBondContact CA-O 3.4Å; L418-R441 PolarHBondContact O-NH2 2.75Å; L418-R441 VanDerWaalsContact O-NH2 3.16Å |
| 419 | E | 70.7 | Confident | 76.8 | Confident | 54 Ų | 54 | 67.8 Ų | 67.8 | 25% | 0.252 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -58.5 | -26.4 | 178.6 | -174.5 | 160.5 | -144.8 | 0 | 0 | 112.1 | R436 V438 R441 | E419-R436 HydrophobicContact CB-CB 4.2Å; E419-R436 PolarHBondContact N-O 3.33Å; E419-R436 WeakPolarHBondContact OE2-CD 3.3Å; E419-R436 IonicContact OE2-CZ 3.64Å; E419-R436 IonicContact OE2-NE 2.68Å; E419-R436 IonicContact OE2-NH1 2.74Å; E419-R436 PolarHBondContact OE2-NH1 3.19Å; E419-V438 HydrophobicContact CB-CG1 3.93Å; E419-V438 HydrophobicContact CB-CG2 4.1Å; E419-V438 HydrophobicContact CG-CG1 4.28Å; E419-R441 PolarHBondContact O-NH1 2.9Å; E419-R441 PolarHBondContact O-NH2 2.8Å |
| 420 | Y | 70.3 | Confident | 76.5 | Confident | 115 Ų | 115 | 65.8 Ų | 65.8 | 45% | 0.451 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -125 | 151.8 | 176.8 | -53.8 | -88.7 | 0 | 0 | 0 | 109.9 | L418 E422 H433 | L418-Y420 WeakPolarHBondContact CB-O 3.28Å; L418-Y420 PolarHBondContact O-N 3.41Å; L418-Y420 VanDerWaalsContact O-N 3.11Å; Y420-E422 PolarHBondContact O-N 2.96Å; Y420-H433 HydrophobicContact CD2-CB 4.01Å; Y420-H433 AromaticContact CD2-CD2 3.33Å; Y420-H433 WeakPolarHBondContact CD2-CD2 3.35Å; Y420-H433 AromaticContact CD2-CG 3.62Å; Y420-H433 AromaticContact CD2-NE2 3.88Å; Y420-H433 HydrophobicContact CE2-CB 3.95Å; Y420-H433 AromaticContact CE2-CD2 3.97Å |
| 421 | S | 66.3 | Low | 76.4 | Confident | 123 Ų | 123 | 66.1 Ų | 66.1 | 86% | 0.86 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -81.3 | 7.3 | -176 | 49.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 422 | E | 73 | Confident | 76.1 | Confident | 140 Ų | 140 | 59.3 Ų | 59.3 | 65% | 0.654 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -125.8 | 149 | -171.6 | -69.3 | 163.9 | -156.2 | 0 | 0 | 109.2 | Y420 H433 | Y420-E422 PolarHBondContact O-N 2.96Å; E422-H433 PolarHBondContact O-CE1 3.5Å |
| 423 | N | 78.9 | Confident | 75.8 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | trans | -68.9 | 143.7 | 174.1 | -72.7 | -38.5 | 0 | 0 | 0 | 110.5 | H407 V408 V425 | H407-N423 HydrophobicContact CB-CB 4.2Å; V408-N423 WeakPolarHBondContact O-CB 3.4Å; N423-V425 PolarHBondContact O-N 2.98Å | ||
| 424 | P | 82.2 | Confident | 75.4 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | trans | -60.3 | 132.7 | 172.3 | -18.6 | 28.5 | 0 | 0 | 0 | 111.2 | H407 V408 I410 W431 P435 | H407-P424 CarbonylContact C-O 3.59Å; H407-P424 VanDerWaalsContact CA-O 3.23Å; H407-P424 WeakPolarHBondContact CA-O 3.43Å; V408-P424 HydrophobicContact CG2-CB 4.08Å; V408-P424 HydrophobicContact CG2-CG 4.2Å; V408-P424 PolarHBondContact N-O 2.98Å; I410-P424 HydrophobicContact CD1-CG 3.81Å; P424-W431 HydrophobicContact CB-CD2 4.48Å; P424-W431 HydrophobicContact CB-CE3 3.73Å; P424-W431 HydrophobicContact CB-CZ3 4.35Å; P424-P435 HydrophobicContact CG-CB 3.65Å; P424-P435 HydrophobicContact CG-CG 3.94Å | ||
| 425 | V | 84.3 | Confident | 75.3 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 27% | 0.267 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -106.9 | 138.9 | 176.7 | -172 | 0 | 0 | 0 | 0 | 108.7 | E406 H407 N423 N427 S432 | E406-V425 CarbonylContact O-C 3.52Å; E406-V425 WeakPolarHBondContact O-CA 3.43Å; E406-V425 WeakPolarHBondContact O-CG1 3.45Å; H407-V425 HydrophobicContact CB-CG2 4.09Å; N423-V425 PolarHBondContact O-N 2.98Å; V425-N427 PolarHBondContact O-N 2.96Å; V425-S432 PolarHBondContact N-OG 2.98Å; V425-S432 PolarHBondContact O-N 3.29Å |
| 426 | C | 83.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 115.7 | 172.5 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | C383 V402 P403 H404 G405 E406 W431 | C383-C426 HydrophobicContact CB-CB 3.74Å; C383-C426 WeakPolarHBondContact CB-SG 3.12Å; C383-C426 PolarHBondContact N-SG 2.93Å; C383-C426 WeakPolarHBondContact SG-CA 3.42Å; C383-C426 WeakPolarHBondContact SG-CB 3.27Å; C383-C426 CovalentContact SG-SG 2.03Å; C383-C426 PolarHBondContact SG-SG 2.71Å; V402-C426 HydrophobicContact CG1-CB 4.22Å; V402-C426 PolarHBondContact O-SG 2.75Å; V402-C426 VanDerWaalsContact O-SG 3.33Å; P403-C426 WeakPolarHBondContact O-CB 3.42Å; H404-C426 PolarHBondContact ND1-O 3.36Å; G405-C426 PolarHBondContact N-O 3.21Å; E406-C426 PolarHBondContact O-N 2.81Å; C426-W431 HydrophobicContact CB-CE3 4.47Å; C426-W431 HydrophobicContact CB-CH2 4.29Å; C426-W431 HydrophobicContact CB-CZ3 4.07Å |
| 427 | N | 75.4 | Confident | 76.1 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 89.8 | 179.5 | -74.5 | -14.1 | 0 | 0 | 0 | 110.3 | V425 S430 S432 | V425-N427 PolarHBondContact O-N 2.96Å; N427-S430 CarbonylContact C-O 3.53Å; N427-S430 VanDerWaalsContact CA-O 3.27Å; N427-S430 WeakPolarHBondContact CA-O 3.44Å; N427-S430 WeakPolarHBondContact CB-O 3.47Å; N427-S430 PolarHBondContact N-O 3.02Å; N427-S430 PolarHBondContact O-N 2.96Å; N427-S430 VanDerWaalsContact O-N 3.11Å; N427-S430 PolarHBondContact O-OG 2.89Å; N427-S432 WeakPolarHBondContact ND2-CB 3.33Å |
| 428 | N | 76 | Confident | 76 | Confident | 71 Ų | 71 | 53.9 Ų | 53.9 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 68.7 | 175.9 | -167.1 | 7.5 | 0 | 0 | 0 | 113.6 | M380 A381 H404 S430 | M380-N428 WeakPolarHBondContact CA-OD1 3.46Å; M380-N428 HydrophobicContact CB-CB 4.43Å; M380-N428 HydrophobicContact SD-CB 3.67Å; M380-N428 VanDerWaalsContact SD-CG 3.57Å; M380-N428 PolarHBondContact SD-ND2 3.34Å; A381-N428 PolarHBondContact N-OD1 3.2Å; A381-N428 CarbonylContact O-C 3.51Å; H404-N428 PolarHBondContact ND1-N 2.9Å; N428-S430 PolarHBondContact O-N 2.89Å; N428-S430 VanDerWaalsContact O-N 3.13Å |
| 429 | G | 75.4 | Confident | 75.7 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | -2.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | A381 C383 | A381-G429 PolarHBondContact O-N 3.49Å; C383-G429 VanDerWaalsContact SG-C 3.55Å |
| 430 | S | 76.8 | Confident | 75.3 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 24% | 0.238 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 140.7 | -178.9 | 69.8 | 0 | 0 | 0 | 0 | 112.2 | C383 N427 N428 N727 | C383-S430 PolarHBondContact SG-N 3.13Å; C383-S430 VanDerWaalsContact SG-N 3.43Å; N427-S430 CarbonylContact C-O 3.53Å; N427-S430 VanDerWaalsContact CA-O 3.27Å; N427-S430 WeakPolarHBondContact CA-O 3.44Å; N427-S430 WeakPolarHBondContact CB-O 3.47Å; N427-S430 PolarHBondContact N-O 3.02Å; N427-S430 PolarHBondContact O-N 2.96Å; N427-S430 VanDerWaalsContact O-N 3.11Å; N427-S430 PolarHBondContact O-OG 2.89Å; N428-S430 PolarHBondContact O-N 2.89Å; N428-S430 VanDerWaalsContact O-N 3.13Å; S430-N727 PolarHBondContact OG-ND2 3.01Å |
| 431 | W | 78.6 | Confident | 74.7 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 142.5 | 178.1 | -66.4 | 98.5 | 0 | 0 | 0 | 111.7 | C383 Q384 M385 P386 V402 V408 P424 C426 H433 N727 | C383-W431 HydrophobicContact CB-CD2 4.31Å; C383-W431 HydrophobicContact CB-CH2 4.24Å; C383-W431 HydrophobicContact CB-CZ2 3.61Å; Q384-W431 PolarHBondContact O-NE1 2.78Å; M385-W431 HydrophobicContact CE-CH2 4.05Å; M385-W431 HydrophobicContact CE-CZ2 3.89Å; P386-W431 HydrophobicContact CG-CD2 4.47Å; P386-W431 HydrophobicContact CG-CZ2 4.48Å; V402-W431 HydrophobicContact CB-CH2 3.75Å; V402-W431 HydrophobicContact CB-CZ2 4.2Å; V402-W431 HydrophobicContact CG1-CH2 3.9Å; V402-W431 HydrophobicContact CG2-CH2 3.81Å; V402-W431 HydrophobicContact CG2-CZ2 4.16Å; V408-W431 HydrophobicContact CB-CH2 4.43Å; V408-W431 HydrophobicContact CB-CZ3 4.42Å; V408-W431 HydrophobicContact CG1-CH2 3.61Å; V408-W431 HydrophobicContact CG1-CZ3 3.93Å; V408-W431 HydrophobicContact CG2-CE3 4.32Å; V408-W431 HydrophobicContact CG2-CH2 3.9Å; V408-W431 HydrophobicContact CG2-CZ3 3.65Å; P424-W431 HydrophobicContact CB-CD2 4.48Å; P424-W431 HydrophobicContact CB-CE3 3.73Å; P424-W431 HydrophobicContact CB-CZ3 4.35Å; C426-W431 HydrophobicContact CB-CE3 4.47Å; C426-W431 HydrophobicContact CB-CH2 4.29Å; C426-W431 HydrophobicContact CB-CZ3 4.07Å; W431-H433 WeakPolarHBondContact CB-O 3.29Å; W431-H433 PolarHBondContact O-N 2.83Å; W431-N727 PolarHBondContact O-ND2 3.07Å |
| 432 | S | 77.4 | Confident | 74.5 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 15% | 0.147 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -55.6 | -35.5 | -179.3 | 64.5 | 0 | 0 | 0 | 0 | 113 | V425 N427 S726 | V425-S432 PolarHBondContact N-OG 2.98Å; V425-S432 PolarHBondContact O-N 3.29Å; N427-S432 WeakPolarHBondContact ND2-CB 3.33Å; S432-S726 PolarHBondContact O-OG 3.24Å |
| 433 | H | 75.9 | Confident | 73.8 | Confident | 27 Ų | 27 | 55.5 Ų | 55.5 | 13% | 0.125 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -146.1 | 152.7 | 158.1 | 61.1 | -87.6 | 0 | 0 | 0 | 108.1 | Y420 E422 W431 | Y420-H433 HydrophobicContact CD2-CB 4.01Å; Y420-H433 AromaticContact CD2-CD2 3.33Å; Y420-H433 WeakPolarHBondContact CD2-CD2 3.35Å; Y420-H433 AromaticContact CD2-CG 3.62Å; Y420-H433 AromaticContact CD2-NE2 3.88Å; Y420-H433 HydrophobicContact CE2-CB 3.95Å; Y420-H433 AromaticContact CE2-CD2 3.97Å; E422-H433 PolarHBondContact O-CE1 3.5Å; W431-H433 WeakPolarHBondContact CB-O 3.29Å; W431-H433 PolarHBondContact O-N 2.83Å |
| 434 | L | 73 | Confident | 73.4 | Confident | 111 Ų | 111 | 62.6 Ų | 62.6 | 58% | 0.581 | 31% | 0.309 | S | S | * | . | trans | -73.7 | 124.8 | 171.3 | -75.7 | 169.2 | 0 | 0 | 0 | 109.3 | P386 R436 | P386-L434 HydrophobicContact CB-CD2 4.47Å; L434-R436 PolarHBondContact O-N 3.28Å | ||
| 435 | P | 71.8 | Confident | 73.1 | Confident | 10 Ų | 10 | 63 Ų | 63 | 7% | 0.065 | 31% | 0.312 | C | S | . | . | trans | -66.3 | 135.7 | -177.7 | 24 | -32 | 0 | 0 | 0 | 112 | P386 L388 I410 P424 | P386-P435 HydrophobicContact CB-CG 4.19Å; P386-P435 HydrophobicContact CG-CG 3.75Å; L388-P435 HydrophobicContact CD1-CB 4.09Å; L388-P435 HydrophobicContact CD1-CG 4.41Å; I410-P435 HydrophobicContact CD1-CB 3.27Å; I410-P435 HydrophobicContact CD1-CG 3.68Å; P424-P435 HydrophobicContact CG-CB 3.65Å; P424-P435 HydrophobicContact CG-CG 3.94Å | ||
| 436 | R | 78.4 | Confident | 72.9 | Confident | 138 Ų | 138 | 66.5 Ų | 66.5 | 52% | 0.521 | 33% | 0.325 | S | S | . | . | trans | -143.1 | 127.8 | 176.6 | -73.3 | 166.8 | 175.8 | 165.6 | 2.6 | 109.7 | L418 E419 L434 V438 | L418-R436 WeakPolarHBondContact CA-O 3.4Å; E419-R436 HydrophobicContact CB-CB 4.2Å; E419-R436 PolarHBondContact N-O 3.33Å; E419-R436 WeakPolarHBondContact OE2-CD 3.3Å; E419-R436 IonicContact OE2-CZ 3.64Å; E419-R436 IonicContact OE2-NE 2.68Å; E419-R436 IonicContact OE2-NH1 2.74Å; E419-R436 PolarHBondContact OE2-NH1 3.19Å; L434-R436 PolarHBondContact O-N 3.28Å; R436-V438 HydrophobicContact CB-CG1 4.19Å | ||
| 437 | C | 81.8 | Confident | 72.7 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 8% | 0.081 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 107.4 | 167.7 | -67.2 | 0 | 0 | 0 | 0 | 108.8 | N390 C412 H416 E417 | N390-C437 HydrophobicContact CB-CB 4.12Å; N390-C437 WeakPolarHBondContact O-CB 3.16Å; N390-C437 PolarHBondContact O-SG 2.93Å; N390-C437 VanDerWaalsContact O-SG 3.38Å; C412-C437 WeakPolarHBondContact CA-SG 3.47Å; C412-C437 HydrophobicContact CB-CB 3.65Å; C412-C437 WeakPolarHBondContact CB-SG 3.4Å; C412-C437 WeakPolarHBondContact SG-CA 3.33Å; C412-C437 WeakPolarHBondContact SG-CB 3.48Å; C412-C437 CovalentContact SG-SG 2.04Å; C412-C437 PolarHBondContact SG-SG 3.3Å; H416-C437 HydrophobicContact CB-CB 3.95Å; H416-C437 PolarHBondContact CD2-O 2.02Å; E417-C437 CarbonylContact O-C 3.57Å; E417-C437 WeakPolarHBondContact O-CA 3.45Å |
| 438 | V | 71.4 | Confident | 73 | Confident | 27 Ų | 27 | 68.9 Ų | 68.9 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 149 | -176.7 | -63.2 | 0 | 0 | 0 | 0 | 111 | H416 E417 E419 R436 S440 | H416-V438 CarbonylContact C-O 3.59Å; H416-V438 WeakPolarHBondContact CA-O 3.49Å; E417-V438 HydrophobicContact CG-CG2 4.12Å; E417-V438 PolarHBondContact N-O 3.27Å; E417-V438 PolarHBondContact O-N 2.9Å; E419-V438 HydrophobicContact CB-CG1 3.93Å; E419-V438 HydrophobicContact CB-CG2 4.1Å; E419-V438 HydrophobicContact CG-CG1 4.28Å; R436-V438 HydrophobicContact CB-CG1 4.19Å; V438-S440 PolarHBondContact O-N 2.9Å |
| 439 | P | 68.5 | Low | 73.3 | Confident | 41 Ų | 41 | 76.2 Ų | 76.2 | 27% | 0.266 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.4 | 131.4 | 174.3 | -31.4 | 38.4 | 0 | 0 | 0 | 112.9 | R441 H460 F484 | P439-R441 WeakPolarHBondContact O-CG 3.32Å; P439-H460 HydrophobicContact CB-CB 4.15Å; P439-F484 HydrophobicContact CB-CD1 3.8Å; P439-F484 HydrophobicContact CB-CE1 4.24Å; P439-F484 HydrophobicContact CG-CD1 4.19Å; P439-F484 HydrophobicContact CG-CE1 4.13Å |
| 440 | S | 62 | Low | 73.7 | Confident | 41 Ų | 41 | 77.1 Ų | 77.1 | 29% | 0.287 | 36% | 0.361 | S | S | . | . | trans | -60.3 | 149.1 | -168.3 | -176.2 | 0 | 0 | 0 | 0 | 115.2 | F415 E417 V438 G485 | F415-S440 PolarHBondContact O-N 2.83Å; E417-S440 WeakPolarHBondContact OE2-CA 3.06Å; E417-S440 VanDerWaalsContact OE2-CB 3.27Å; E417-S440 WeakPolarHBondContact OE2-CB 3.35Å; E417-S440 PolarHBondContact OE2-OG 2.88Å; V438-S440 PolarHBondContact O-N 2.9Å; S440-G485 VanDerWaalsContact O-CA 3.24Å; S440-G485 WeakPolarHBondContact O-CA 3.4Å; S440-G485 PolarHBondContact O-N 3.32Å | ||
| 441 | R | 57.9 | Low | 74.1 | Confident | 89 Ų | 89 | 75.9 Ų | 75.9 | 34% | 0.336 | 35% | 0.354 | S | S | . | . | trans | -125.3 | 46.5 | -159.6 | -59.8 | 176.3 | -67.8 | -166.8 | -3.7 | 115.6 | E417 L418 E419 P439 | E417-R441 IonicContact OE1-CZ 3.11Å; E417-R441 IonicContact OE1-NE 2.66Å; E417-R441 PolarHBondContact OE1-NE 3.1Å; E417-R441 IonicContact OE1-NH2 2.79Å; E417-R441 PolarHBondContact OE1-NH2 3.4Å; E417-R441 PolarHBondContact OE2-N 2.96Å; L418-R441 PolarHBondContact O-NH2 2.75Å; L418-R441 VanDerWaalsContact O-NH2 3.16Å; E419-R441 PolarHBondContact O-NH1 2.9Å; E419-R441 PolarHBondContact O-NH2 2.8Å; P439-R441 WeakPolarHBondContact O-CG 3.32Å | ||
| 442 | Q | 62.1 | Low | 74.4 | Confident | 165 Ų | 165 | 79.9 Ų | 79.9 | 77% | 0.771 | 37% | 0.37 | S | S | * | . | trans | -135.8 | 103.3 | 175.9 | -91.3 | -173.7 | 17.7 | 0 | 0 | 117.6 | ||||
| 443 | K | 59.2 | Low | 74.9 | Confident | 166 Ų | 166 | 80.1 Ų | 80.1 | 72% | 0.722 | 37% | 0.37 | S | S | * | . | -177.9 | 146.1 | 125.4 | -99.6 | 165.5 | -175.3 | 174.7 | 0 | 109.9 | W487 | K443-W487 PolarHBondContact O-NE1 2.62Š| |||
| 444 | W | 70.7 | Confident | 75.1 | Confident | 204 Ų | 204 | 83.2 Ų | 83.2 | 77% | 0.773 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -77 | 142.8 | 167.6 | -78.3 | 39.7 | 0 | 0 | 0 | 109 | E446 F455 | W444-E446 PolarHBondContact O-N 2.85Å; W444-F455 HydrophobicContact CD2-CE2 4.41Å; W444-F455 AromaticContact CD2-CZ 3.66Å; W444-F455 HydrophobicContact CD2-CZ 3.66Å; W444-F455 HydrophobicContact CE3-CE1 4.18Å; W444-F455 AromaticContact CE3-CZ 3.57Å; W444-F455 HydrophobicContact CE3-CZ 3.57Å; W444-F455 HydrophobicContact CG-CZ 4.11Å; W444-F455 HydrophobicContact CH2-CZ 4.38Å; W444-F455 HydrophobicContact CZ2-CZ 4.48Å; W444-F455 AromaticContact CZ3-CZ 3.94Å; W444-F455 HydrophobicContact CZ3-CZ 3.94Å |
| 445 | P | 75.5 | Confident | 75.5 | Confident | 8 Ų | 8 | 80.7 Ų | 80.7 | 5% | 0.052 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 128.9 | 175.1 | 29.8 | -33.1 | 0 | 0 | 0 | 109.3 | V453 F455 A464 I480 W487 | P445-V453 HydrophobicContact CB-CG2 4.21Å; P445-V453 HydrophobicContact CG-CG1 4.28Å; P445-V453 HydrophobicContact CG-CG2 4.03Å; P445-F455 HydrophobicContact CG-CD1 3.44Å; P445-F455 VanDerWaalsContact CG-CD1 3.44Å; P445-F455 HydrophobicContact CG-CE1 3.66Å; P445-F455 HydrophobicContact CG-CG 3.98Å; P445-F455 HydrophobicContact CG-CZ 4.34Å; P445-A464 HydrophobicContact CB-CB 4.06Å; P445-A464 HydrophobicContact CG-CB 3.81Å; P445-I480 HydrophobicContact CB-CD1 4.23Å; P445-W487 HydrophobicContact CB-CD2 4.17Å; P445-W487 HydrophobicContact CB-CG 4.36Å; P445-W487 HydrophobicContact CB-CZ2 4.44Å; P445-W487 HydrophobicContact CG-CZ2 4.1Å |
| 446 | E | 79.2 | Confident | 75.3 | Confident | 117 Ų | 117 | 84.9 Ų | 84.9 | 55% | 0.547 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 139.4 | -179.7 | -73.3 | 165.5 | -121.7 | 0 | 0 | 112 | W444 F466 R491 | W444-E446 PolarHBondContact O-N 2.85Å; E446-F466 WeakPolarHBondContact O-CE1 3.16Å; E446-R491 IonicContact OE1-NH2 2.83Å; E446-R491 PolarHBondContact OE1-NH2 3.43Å; E446-R491 IonicContact OE2-CZ 2.69Å; E446-R491 VanDerWaalsContact OE2-CZ 3.24Å; E446-R491 IonicContact OE2-NH1 3.05Å; E446-R491 PolarHBondContact OE2-NH1 2.79Å; E446-R491 IonicContact OE2-NH2 2.66Å; E446-R491 PolarHBondContact OE2-NH2 2.95Å |
| 447 | P | 78.7 | Confident | 74.8 | Confident | 92 Ų | 92 | 84.6 Ų | 84.6 | 60% | 0.597 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 151.4 | 172.9 | 29.8 | -34.8 | 0 | 0 | 0 | 111.4 | ||
| 448 | V | 82.4 | Confident | 74.3 | Confident | 11 Ų | 11 | 86.2 Ų | 86.2 | 7% | 0.067 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 143.8 | 176.2 | -68.9 | 0 | 0 | 0 | 0 | 110.8 | N450 G451 F466 R491 P492 | V448-N450 PolarHBondContact O-N 3.1Å; V448-G451 CarbonylContact O-C 3.51Å; V448-G451 PolarHBondContact O-N 3.31Å; V448-F466 HydrophobicContact CB-CD1 4.39Å; V448-F466 HydrophobicContact CG1-CD1 3.55Å; V448-F466 HydrophobicContact CG1-CE1 3.66Å; V448-F466 HydrophobicContact CG1-CG 4.29Å; V448-F466 HydrophobicContact CG1-CZ 4.46Å; V448-F466 HydrophobicContact CG2-CD1 4.03Å; V448-R491 HydrophobicContact CG1-CG 4.05Å; V448-P492 VanDerWaalsContact CG1-O 3.23Å; V448-P492 WeakPolarHBondContact CG1-O 3.27Å |
| 449 | R | 82.7 | Confident | 74.1 | Confident | 224 Ų | 224 | 89.4 Ų | 89.4 | 85% | 0.845 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 133 | 172.3 | -158.5 | -179.6 | -62.9 | -169.1 | 2.9 | 108.4 | G451 C494 | R449-G451 VanDerWaalsContact C-N 3.31Å; R449-G451 PolarHBondContact O-N 3.24Å; R449-C494 WeakPolarHBondContact O-CB 2.98Å |
| 450 | N | 83.6 | Confident | 74.2 | Confident | 60 Ų | 60 | 91.4 Ų | 91.4 | 32% | 0.321 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 29.7 | -172.7 | -55.3 | -23.9 | 0 | 0 | 0 | 115.3 | V448 H469 Y472 C494 | V448-N450 PolarHBondContact O-N 3.1Å; N450-H469 VanDerWaalsContact C-ND1 3.33Å; N450-H469 PolarHBondContact O-N 3.46Å; N450-Y472 HydrophobicContact CB-CD1 3.82Å; N450-Y472 HydrophobicContact CB-CD2 3.98Å; N450-Y472 HydrophobicContact CB-CE1 3.87Å; N450-Y472 HydrophobicContact CB-CE2 4.01Å; N450-Y472 HydrophobicContact CB-CG 3.9Å; N450-Y472 WeakPolarHBondContact ND2-CE1 3.43Å; N450-Y472 VanDerWaalsContact ND2-CZ 3.26Å; N450-Y472 PolarHBondContact ND2-OH 2.71Å; N450-C494 HydrophobicContact CB-CB 3.99Å; N450-C494 WeakPolarHBondContact O-CB 3.23Å; N450-C494 PolarHBondContact O-SG 2.94Å |
| 451 | G | 84.4 | Confident | 74.7 | Confident | 8 Ų | 8 | 91.5 Ų | 91.5 | 8% | 0.082 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | -165.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V448 R449 V467 | V448-G451 CarbonylContact O-C 3.51Å; V448-G451 PolarHBondContact O-N 3.31Å; R449-G451 VanDerWaalsContact C-N 3.31Å; R449-G451 PolarHBondContact O-N 3.24Å; G451-V467 CarbonylContact C-O 3.57Å; G451-V467 WeakPolarHBondContact CA-O 3.36Å |
| 452 | Y | 86.7 | Confident | 75.6 | Confident | 105 Ų | 105 | 87.8 Ų | 87.8 | 41% | 0.412 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 171.9 | 179.3 | 59.8 | -89.7 | 0 | 0 | 0 | 111.7 | L454 F466 V467 H469 | Y452-L454 HydrophobicContact CD2-CD2 4.07Å; Y452-L454 HydrophobicContact CD2-CG 4.15Å; Y452-L454 HydrophobicContact CE2-CD1 4.14Å; Y452-L454 HydrophobicContact CE2-CD2 3.99Å; Y452-L454 HydrophobicContact CE2-CG 4.02Å; Y452-F466 WeakPolarHBondContact O-CA 3.27Å; Y452-V467 HydrophobicContact CD1-CB 4.45Å; Y452-V467 HydrophobicContact CD2-CB 4.25Å; Y452-V467 HydrophobicContact CE1-CB 3.99Å; Y452-V467 HydrophobicContact CE1-CG1 4Å; Y452-V467 HydrophobicContact CE2-CB 3.77Å; Y452-V467 HydrophobicContact CE2-CG1 4.31Å; Y452-V467 HydrophobicContact CE2-CG2 3.94Å; Y452-V467 PolarHBondContact N-O 3.19Å; Y452-V467 PolarHBondContact O-N 3.14Å; Y452-H469 AromaticContact CD1-NE2 3.96Å |
| 453 | V | 87.3 | Confident | 76.7 | Confident | 26 Ų | 26 | 83.4 Ų | 83.4 | 16% | 0.158 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 139.7 | -176.5 | 65.6 | 0 | 0 | 0 | 0 | 111.5 | P445 A464 R465 F466 | P445-V453 HydrophobicContact CB-CG2 4.21Å; P445-V453 HydrophobicContact CG-CG1 4.28Å; P445-V453 HydrophobicContact CG-CG2 4.03Å; V453-A464 HydrophobicContact CG2-CB 3.96Å; V453-R465 CarbonylContact C-O 3.4Å; V453-R465 WeakPolarHBondContact CA-O 3.35Å; V453-F466 HydrophobicContact CB-CD1 3.78Å; V453-F466 HydrophobicContact CB-CE1 3.74Å; V453-F466 HydrophobicContact CG2-CD1 3.83Å; V453-F466 HydrophobicContact CG2-CE1 3.6Å; V453-F466 HydrophobicContact CG2-CG 4.45Å; V453-F466 HydrophobicContact CG2-CZ 4.06Å |
| 454 | L | 80.4 | Confident | 77.9 | Confident | 93 Ų | 93 | 75.5 Ų | 75.5 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 123.3 | -176.2 | -61.8 | 175.5 | 0 | 0 | 0 | 110.2 | Y452 A464 R465 V467 | Y452-L454 HydrophobicContact CD2-CD2 4.07Å; Y452-L454 HydrophobicContact CD2-CG 4.15Å; Y452-L454 HydrophobicContact CE2-CD1 4.14Å; Y452-L454 HydrophobicContact CE2-CD2 3.99Å; Y452-L454 HydrophobicContact CE2-CG 4.02Å; L454-A464 CarbonylContact O-C 3.52Å; L454-A464 WeakPolarHBondContact O-CA 3.48Å; L454-R465 PolarHBondContact N-O 2.7Å; L454-R465 PolarHBondContact O-N 2.82Å; L454-V467 HydrophobicContact CD1-CG2 4.1Å |
| 455 | F | 79.9 | Confident | 78.7 | Confident | 57 Ų | 57 | 73 Ų | 73 | 25% | 0.25 | 38% | 0.375 | C | S | . | . | trans | -152.7 | 159.5 | 175.3 | 66.4 | -78.9 | 0 | 0 | 0 | 109.7 | W444 P445 T458 A464 | W444-F455 HydrophobicContact CD2-CE2 4.41Å; W444-F455 AromaticContact CD2-CZ 3.66Å; W444-F455 HydrophobicContact CD2-CZ 3.66Å; W444-F455 HydrophobicContact CE3-CE1 4.18Å; W444-F455 AromaticContact CE3-CZ 3.57Å; W444-F455 HydrophobicContact CE3-CZ 3.57Å; W444-F455 HydrophobicContact CG-CZ 4.11Å; W444-F455 HydrophobicContact CH2-CZ 4.38Å; W444-F455 HydrophobicContact CZ2-CZ 4.48Å; W444-F455 AromaticContact CZ3-CZ 3.94Å; W444-F455 HydrophobicContact CZ3-CZ 3.94Å; P445-F455 HydrophobicContact CG-CD1 3.44Å; P445-F455 VanDerWaalsContact CG-CD1 3.44Å; P445-F455 HydrophobicContact CG-CE1 3.66Å; P445-F455 HydrophobicContact CG-CG 3.98Å; P445-F455 HydrophobicContact CG-CZ 4.34Å; F455-T458 HydrophobicContact CD2-CG2 4.26Å; F455-T458 HydrophobicContact CE2-CG2 3.93Å; F455-A464 HydrophobicContact CB-CB 3.83Å | ||
| 456 | A | 68.7 | Low | 79.4 | Confident | 99 Ų | 99 | 72.8 Ų | 72.8 | 82% | 0.818 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -123.1 | -15.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 457 | K | 68.1 | Low | 79.7 | Confident | 132 Ų | 132 | 69.2 Ų | 69.2 | 57% | 0.574 | 36% | 0.359 | S | S | * | . | trans | -150.4 | 158.6 | 179.8 | -58.7 | -172.3 | -175.6 | -178.3 | 0 | 109 | H459 A462 | K457-H459 VanDerWaalsContact CD-CE1 3.46Å; K457-H459 WeakPolarHBondContact CD-CE1 3.37Å; K457-A462 HydrophobicContact CB-CB 4.44Å; K457-A462 VanDerWaalsContact O-CB 3.26Å; K457-A462 WeakPolarHBondContact O-CB 3.27Å | ||
| 458 | T | 71.1 | Confident | 80.1 | Confident | 46 Ų | 46 | 66 Ų | 66 | 28% | 0.282 | 34% | 0.338 | S | S | . | . | trans | -117.8 | -3.3 | -178.1 | 48.9 | 0 | 0 | 0 | 0 | 114.3 | F455 C482 | F455-T458 HydrophobicContact CD2-CG2 4.26Å; F455-T458 HydrophobicContact CE2-CG2 3.93Å; T458-C482 PolarHBondContact O-SG 3.02Å | ||
| 459 | H | 67.7 | Low | 80.1 | Confident | 94 Ų | 94 | 69.5 Ų | 69.5 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -66.8 | 165.3 | -179.1 | 55 | -158.6 | 0 | 0 | 0 | 113.8 | K457 G461 A462 C482 | K457-H459 VanDerWaalsContact CD-CE1 3.46Å; K457-H459 WeakPolarHBondContact CD-CE1 3.37Å; H459-G461 PolarHBondContact O-N 3.09Å; H459-A462 WeakPolarHBondContact O-CB 3.24Å; H459-A462 PolarHBondContact O-N 2.91Å; H459-C482 WeakPolarHBondContact O-CB 3.46Å |
| 460 | H | 69 | Low | 79.6 | Confident | 82 Ų | 82 | 64.7 Ų | 64.7 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | 129.7 | 171 | 179.2 | 114.9 | 0 | 0 | 0 | 110.6 | P439 F484 | P439-H460 HydrophobicContact CB-CB 4.15Å; H460-F484 AromaticContact CE1-CD2 3.66Å; H460-F484 AromaticContact CE1-CE2 3.3Å; H460-F484 WeakPolarHBondContact CE1-CE2 3.06Å; H460-F484 AromaticContact CE1-CZ 3.57Å; H460-F484 AromaticContact ND1-CD1 3.8Å; H460-F484 AromaticContact ND1-CD2 3.49Å; H460-F484 WeakPolarHBondContact ND1-CD2 3.17Å; H460-F484 AromaticContact ND1-CE1 3.8Å; H460-F484 AromaticContact ND1-CE2 3.52Å; H460-F484 AromaticContact ND1-CG 3.62Å; H460-F484 AromaticContact ND1-CZ 3.66Å; H460-F484 PolarHBondContact ND1-N 3.37Å |
| 461 | G | 74.5 | Confident | 78.8 | Confident | 44 Ų | 44 | 62 Ų | 62 | 45% | 0.454 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -12.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H459 C482 | H459-G461 PolarHBondContact O-N 3.09Å; G461-C482 PolarHBondContact N-O 3.39Å |
| 462 | A | 76.4 | Confident | 78.8 | Confident | 10 Ų | 10 | 65.1 Ų | 65.1 | 8% | 0.083 | 35% | 0.348 | C | S | . | . | trans | -61.5 | 153.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K457 H459 R481 C482 W487 | K457-A462 HydrophobicContact CB-CB 4.44Å; K457-A462 VanDerWaalsContact O-CB 3.26Å; K457-A462 WeakPolarHBondContact O-CB 3.27Å; H459-A462 WeakPolarHBondContact O-CB 3.24Å; H459-A462 PolarHBondContact O-N 2.91Å; A462-R481 CarbonylContact O-C 3.57Å; A462-R481 VanDerWaalsContact O-CA 3.26Å; A462-R481 WeakPolarHBondContact O-CA 3.3Å; A462-C482 HydrophobicContact CB-CB 4.22Å; A462-C482 PolarHBondContact O-N 2.72Å; A462-W487 HydrophobicContact CB-CH2 4.15Å | ||
| 463 | T | 84 | Confident | 78.6 | Confident | 74 Ų | 74 | 64.5 Ų | 64.5 | 45% | 0.454 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 137.7 | 178.8 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | V479 I480 R481 | T463-V479 HydrophobicContact CG2-CG1 4.07Å; T463-I480 WeakPolarHBondContact CA-O 3.25Å; T463-R481 HydrophobicContact CG2-CG 4.08Å |
| 464 | A | 84.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P445 V453 L454 F455 V479 I480 W487 | P445-A464 HydrophobicContact CB-CB 4.06Å; P445-A464 HydrophobicContact CG-CB 3.81Å; V453-A464 HydrophobicContact CG2-CB 3.96Å; L454-A464 CarbonylContact O-C 3.52Å; L454-A464 WeakPolarHBondContact O-CA 3.48Å; F455-A464 HydrophobicContact CB-CB 3.83Å; A464-V479 VanDerWaalsContact O-CA 3.27Å; A464-V479 WeakPolarHBondContact O-CA 3.38Å; A464-I480 HydrophobicContact CB-CD1 4.49Å; A464-I480 HydrophobicContact CB-CG1 3.99Å; A464-I480 PolarHBondContact N-O 3.08Å; A464-I480 PolarHBondContact O-N 3.1Å; A464-W487 HydrophobicContact CB-CE3 4.11Å; A464-W487 HydrophobicContact CB-CH2 3.79Å; A464-W487 HydrophobicContact CB-CZ2 4.46Å; A464-W487 HydrophobicContact CB-CZ3 3.59Å |
| 465 | R | 87.5 | Confident | 78.8 | Confident | 151 Ų | 151 | 67.6 Ų | 67.6 | 57% | 0.57 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134 | -175.7 | 178.3 | 176.2 | 178.2 | 157.4 | 1 | 111.7 | V453 L454 P478 V479 | V453-R465 CarbonylContact C-O 3.4Å; V453-R465 WeakPolarHBondContact CA-O 3.35Å; L454-R465 PolarHBondContact N-O 2.7Å; L454-R465 PolarHBondContact O-N 2.82Å; R465-P478 CarbonylContact C-O 3.58Å; R465-P478 VanDerWaalsContact CA-O 3.23Å; R465-P478 WeakPolarHBondContact CA-O 3.33Å; R465-V479 HydrophobicContact CB-CG2 4.13Å; R465-V479 HydrophobicContact CG-CG2 4.19Å |
| 466 | F | 89.8 | Confident | 79.1 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 149.6 | 176.7 | -63.4 | -79.2 | 0 | 0 | 0 | 112.9 | E446 V448 Y452 V453 L474 P478 I480 R491 P492 | E446-F466 WeakPolarHBondContact O-CE1 3.16Å; V448-F466 HydrophobicContact CB-CD1 4.39Å; V448-F466 HydrophobicContact CG1-CD1 3.55Å; V448-F466 HydrophobicContact CG1-CE1 3.66Å; V448-F466 HydrophobicContact CG1-CG 4.29Å; V448-F466 HydrophobicContact CG1-CZ 4.46Å; V448-F466 HydrophobicContact CG2-CD1 4.03Å; Y452-F466 WeakPolarHBondContact O-CA 3.27Å; V453-F466 HydrophobicContact CB-CD1 3.78Å; V453-F466 HydrophobicContact CB-CE1 3.74Å; V453-F466 HydrophobicContact CG2-CD1 3.83Å; V453-F466 HydrophobicContact CG2-CE1 3.6Å; V453-F466 HydrophobicContact CG2-CG 4.45Å; V453-F466 HydrophobicContact CG2-CZ 4.06Å; F466-L474 HydrophobicContact CB-CD1 4.26Å; F466-P478 PolarHBondContact N-O 2.8Å; F466-I480 HydrophobicContact CE2-CD1 3.61Å; F466-I480 HydrophobicContact CE2-CG1 3.83Å; F466-I480 HydrophobicContact CE2-CG2 4.07Å; F466-I480 HydrophobicContact CZ-CD1 3.61Å; F466-I480 HydrophobicContact CZ-CG1 4.3Å; F466-R491 HydrophobicContact CZ-CG 4.29Å; F466-P492 HydrophobicContact CB-CG 3.69Å; F466-P492 HydrophobicContact CD1-CG 4.45Å; F466-P492 HydrophobicContact CD2-CG 3.37Å; F466-P492 HydrophobicContact CE2-CG 4.08Å; F466-P492 HydrophobicContact CG-CG 3.58Å |
| 467 | V | 86.6 | Confident | 80 | Confident | 41 Ų | 41 | 64.9 Ų | 64.9 | 25% | 0.248 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 135.6 | 176.6 | -171.2 | 0 | 0 | 0 | 0 | 108.9 | G451 Y452 L454 | G451-V467 CarbonylContact C-O 3.57Å; G451-V467 WeakPolarHBondContact CA-O 3.36Å; Y452-V467 HydrophobicContact CD1-CB 4.45Å; Y452-V467 HydrophobicContact CD2-CB 4.25Å; Y452-V467 HydrophobicContact CE1-CB 3.99Å; Y452-V467 HydrophobicContact CE1-CG1 4Å; Y452-V467 HydrophobicContact CE2-CB 3.77Å; Y452-V467 HydrophobicContact CE2-CG1 4.31Å; Y452-V467 HydrophobicContact CE2-CG2 3.94Å; Y452-V467 PolarHBondContact N-O 3.19Å; Y452-V467 PolarHBondContact O-N 3.14Å; L454-V467 HydrophobicContact CD1-CG2 4.1Å |
| 468 | C | 86.6 | Confident | 80.9 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 158.4 | 176.2 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | L474 C494 | C468-L474 WeakPolarHBondContact SG-CD1 3.3Å; C468-C494 WeakPolarHBondContact CA-SG 3.3Å; C468-C494 HydrophobicContact CB-CB 3.82Å; C468-C494 WeakPolarHBondContact CB-SG 3.36Å; C468-C494 VanDerWaalsContact SG-CA 3.53Å; C468-C494 WeakPolarHBondContact SG-CB 3.34Å; C468-C494 CovalentContact SG-SG 2.04Å; C468-C494 PolarHBondContact SG-SG 2.83Å |
| 469 | H | 82.4 | Confident | 81.6 | Confident | 85 Ų | 85 | 62.3 Ų | 62.3 | 39% | 0.394 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -70 | 159.7 | 166.1 | -62 | 141.3 | 0 | 0 | 0 | 111.4 | N450 Y452 Y472 | N450-H469 VanDerWaalsContact C-ND1 3.33Å; N450-H469 PolarHBondContact O-N 3.46Å; Y452-H469 AromaticContact CD1-NE2 3.96Å; H469-Y472 HydrophobicContact CB-CD2 4.41Å; H469-Y472 PolarHBondContact O-N 3.49Å |
| 470 | P | 72.8 | Confident | 82.6 | Confident | 123 Ų | 123 | 58.5 Ų | 58.5 | 80% | 0.799 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 148.3 | 171.5 | -26.2 | 35.8 | 0 | 0 | 0 | 112.6 | Y472 | P470-Y472 WeakPolarHBondContact O-CD2 3.47Å; P470-Y472 PolarHBondContact O-N 3.37Å |
| 471 | G | 66.2 | Low | 83.3 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -9.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | K497 E534 | G471-K497 WeakPolarHBondContact O-CB 3.35Å; G471-K497 PolarHBondContact O-N 2.76Å; G471-E534 WeakPolarHBondContact CA-OE1 3.02Å |
| 472 | Y | 84.6 | Confident | 83.5 | Confident | 73 Ų | 73 | 55.1 Ų | 55.1 | 29% | 0.286 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 154 | 179.4 | -63.1 | -92.1 | 0 | 0 | 0 | 112.8 | N450 H469 P470 T495 E496 | N450-Y472 HydrophobicContact CB-CD1 3.82Å; N450-Y472 HydrophobicContact CB-CD2 3.98Å; N450-Y472 HydrophobicContact CB-CE1 3.87Å; N450-Y472 HydrophobicContact CB-CE2 4.01Å; N450-Y472 HydrophobicContact CB-CG 3.9Å; N450-Y472 WeakPolarHBondContact ND2-CE1 3.43Å; N450-Y472 VanDerWaalsContact ND2-CZ 3.26Å; N450-Y472 PolarHBondContact ND2-OH 2.71Å; H469-Y472 HydrophobicContact CB-CD2 4.41Å; H469-Y472 PolarHBondContact O-N 3.49Å; P470-Y472 WeakPolarHBondContact O-CD2 3.47Å; P470-Y472 PolarHBondContact O-N 3.37Å; Y472-T495 CarbonylContact C-O 3.46Å; Y472-T495 WeakPolarHBondContact CA-O 3.22Å; Y472-E496 HydrophobicContact CD1-CB 4.28Å; Y472-E496 HydrophobicContact CE1-CB 4.04Å; Y472-E496 HydrophobicContact CE1-CG 4.27Å |
| 473 | Q | 82.9 | Confident | 83.5 | Confident | 92 Ų | 92 | 56.1 Ų | 56.1 | 43% | 0.43 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 140.1 | 174.6 | 54.9 | 175.9 | -17.2 | 0 | 0 | 110.8 | K475 C494 T495 K497 | Q473-K475 PolarHBondContact O-N 3.03Å; Q473-C494 WeakPolarHBondContact O-CA 3.05Å; Q473-T495 VanDerWaalsContact CG-O 3.28Å; Q473-T495 WeakPolarHBondContact CG-O 3.41Å; Q473-T495 PolarHBondContact N-O 2.8Å; Q473-T495 PolarHBondContact O-N 2.84Å; Q473-T495 PolarHBondContact O-OG1 2.86Å; Q473-K497 HydrophobicContact CB-CG 4.32Å; Q473-K497 HydrophobicContact CG-CG 4.32Å |
| 474 | L | 86.3 | Confident | 82.7 | Confident | 61 Ų | 61 | 57.4 Ų | 57.4 | 32% | 0.319 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 113.5 | -175.9 | -168.4 | 77.3 | 0 | 0 | 0 | 110.7 | F466 C468 P478 P492 | F466-L474 HydrophobicContact CB-CD1 4.26Å; C468-L474 WeakPolarHBondContact SG-CD1 3.3Å; L474-P478 HydrophobicContact CD2-CB 3.86Å; L474-P492 HydrophobicContact CD1-CB 3.72Å; L474-P492 HydrophobicContact CD1-CG 3.89Å; L474-P492 HydrophobicContact CD2-CB 4.41Å; L474-P492 HydrophobicContact CG-CB 3.96Å; L474-P492 HydrophobicContact CG-CG 4.45Å |
| 475 | K | 85.4 | Confident | 81.8 | Confident | 123 Ų | 123 | 57.9 Ų | 57.9 | 54% | 0.535 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 123 | 168.5 | -67.7 | -169.3 | -179.1 | -178.3 | 0 | 110.1 | Q473 P492 V493 T495 | Q473-K475 PolarHBondContact O-N 3.03Å; K475-P492 CarbonylContact O-C 3.46Å; K475-P492 VanDerWaalsContact O-CA 3.24Å; K475-P492 WeakPolarHBondContact O-CA 3.47Å; K475-P492 WeakPolarHBondContact O-CB 3.22Å; K475-V493 PolarHBondContact N-O 2.98Å; K475-V493 PolarHBondContact O-N 2.92Å; K475-T495 HydrophobicContact CD-CG2 3.87Å; K475-T495 VanDerWaalsContact CE-OG1 3.32Å; K475-T495 WeakPolarHBondContact CE-OG1 3.36Å; K475-T495 HydrophobicContact CG-CG2 4.31Å |
| 476 | G | 86 | Confident | 81.2 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 47% | 0.474 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 107.1 | -179.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 477 | P | 86.9 | Confident | 80.7 | Confident | 52 Ų | 52 | 56.2 Ų | 56.2 | 34% | 0.338 | 30% | 0.304 | S | S | . | . | trans | -68.1 | 130.5 | -171.5 | -20.8 | 34.1 | 0 | 0 | 0 | 112.3 | V479 I490 P492 | P477-V479 PolarHBondContact O-N 2.87Å; P477-I490 HydrophobicContact CG-CB 4.13Å; P477-P492 WeakPolarHBondContact O-CD 3.45Å; P477-P492 VanDerWaalsContact O-CG 3.31Å; P477-P492 WeakPolarHBondContact O-CG 3.31Å | ||
| 478 | P | 87.1 | Confident | 80.4 | Confident | 64 Ų | 64 | 56.2 Ų | 56.2 | 42% | 0.416 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -74.2 | -8.2 | -177.8 | 29.2 | -35.6 | 0 | 0 | 0 | 114.3 | R465 F466 L474 | R465-P478 CarbonylContact C-O 3.58Å; R465-P478 VanDerWaalsContact CA-O 3.23Å; R465-P478 WeakPolarHBondContact CA-O 3.33Å; F466-P478 PolarHBondContact N-O 2.8Å; L474-P478 HydrophobicContact CD2-CB 3.86Å |
| 479 | V | 86.8 | Confident | 80 | Confident | 61 Ų | 61 | 56.1 Ų | 56.1 | 37% | 0.37 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 128 | -173.9 | -178.3 | 0 | 0 | 0 | 0 | 112.6 | T463 A464 R465 P477 | T463-V479 HydrophobicContact CG2-CG1 4.07Å; A464-V479 VanDerWaalsContact O-CA 3.27Å; A464-V479 WeakPolarHBondContact O-CA 3.38Å; R465-V479 HydrophobicContact CB-CG2 4.13Å; R465-V479 HydrophobicContact CG-CG2 4.19Å; P477-V479 PolarHBondContact O-N 2.87Å |
| 480 | I | 88.3 | Confident | 80.1 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 161.8 | 171.7 | 58.1 | 179.1 | 0 | 0 | 0 | 111.1 | P445 T463 A464 F466 W487 | P445-I480 HydrophobicContact CB-CD1 4.23Å; T463-I480 WeakPolarHBondContact CA-O 3.25Å; A464-I480 HydrophobicContact CB-CD1 4.49Å; A464-I480 HydrophobicContact CB-CG1 3.99Å; A464-I480 PolarHBondContact N-O 3.08Å; A464-I480 PolarHBondContact O-N 3.1Å; F466-I480 HydrophobicContact CE2-CD1 3.61Å; F466-I480 HydrophobicContact CE2-CG1 3.83Å; F466-I480 HydrophobicContact CE2-CG2 4.07Å; F466-I480 HydrophobicContact CZ-CD1 3.61Å; F466-I480 HydrophobicContact CZ-CG1 4.3Å; I480-W487 HydrophobicContact CD1-CB 4.06Å; I480-W487 HydrophobicContact CD1-CD2 4.42Å; I480-W487 HydrophobicContact CD1-CE3 4.22Å; I480-W487 HydrophobicContact CD1-CG 4.39Å; I480-W487 HydrophobicContact CG1-CE3 3.94Å |
| 481 | R | 83.9 | Confident | 80.4 | Confident | 55 Ų | 55 | 57.3 Ų | 57.3 | 21% | 0.208 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 133.5 | -177.1 | -61.1 | -164.1 | -175.2 | -163.4 | 0.8 | 113.5 | A462 T463 K488 F622 | A462-R481 CarbonylContact O-C 3.57Å; A462-R481 VanDerWaalsContact O-CA 3.26Å; A462-R481 WeakPolarHBondContact O-CA 3.3Å; T463-R481 HydrophobicContact CG2-CG 4.08Å; R481-K488 PolarHBondContact O-N 3.33Å; R481-F622 VanDerWaalsContact NH2-CE2 3.26Å |
| 482 | C | 79.4 | Confident | 81.4 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 135.7 | 170.4 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | T458 H459 G461 A462 E486 W487 | T458-C482 PolarHBondContact O-SG 3.02Å; H459-C482 WeakPolarHBondContact O-CB 3.46Å; G461-C482 PolarHBondContact N-O 3.39Å; A462-C482 HydrophobicContact CB-CB 4.22Å; A462-C482 PolarHBondContact O-N 2.72Å; C482-E486 CarbonylContact C-O 3.58Å; C482-E486 VanDerWaalsContact CA-O 3.28Å; C482-E486 WeakPolarHBondContact CA-O 3.43Å; C482-W487 HydrophobicContact CB-CD2 4.27Å; C482-W487 HydrophobicContact CB-CE3 4.05Å; C482-W487 HydrophobicContact CB-CH2 4.13Å; C482-W487 HydrophobicContact CB-CZ2 4.35Å; C482-W487 HydrophobicContact CB-CZ3 3.97Å |
| 483 | S | 74.5 | Confident | 81.5 | Confident | 31 Ų | 31 | 58 Ų | 58 | 22% | 0.217 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 103 | 177.4 | -62.8 | 0 | 0 | 0 | 0 | 108.5 | E486 | S483-E486 PolarHBondContact N-O 3Å; S483-E486 PolarHBondContact O-N 3.26Å |
| 484 | F | 68.6 | Low | 81.7 | Confident | 101 Ų | 101 | 53.9 Ų | 53.9 | 44% | 0.443 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 52.8 | -176.8 | -56.1 | -84.5 | 0 | 0 | 0 | 113.1 | P439 H460 E486 | P439-F484 HydrophobicContact CB-CD1 3.8Å; P439-F484 HydrophobicContact CB-CE1 4.24Å; P439-F484 HydrophobicContact CG-CD1 4.19Å; P439-F484 HydrophobicContact CG-CE1 4.13Å; H460-F484 AromaticContact CE1-CD2 3.66Å; H460-F484 AromaticContact CE1-CE2 3.3Å; H460-F484 WeakPolarHBondContact CE1-CE2 3.06Å; H460-F484 AromaticContact CE1-CZ 3.57Å; H460-F484 AromaticContact ND1-CD1 3.8Å; H460-F484 AromaticContact ND1-CD2 3.49Å; H460-F484 WeakPolarHBondContact ND1-CD2 3.17Å; H460-F484 AromaticContact ND1-CE1 3.8Å; H460-F484 AromaticContact ND1-CE2 3.52Å; H460-F484 AromaticContact ND1-CG 3.62Å; H460-F484 AromaticContact ND1-CZ 3.66Å; H460-F484 PolarHBondContact ND1-N 3.37Å; F484-E486 VanDerWaalsContact C-N 3.3Å; F484-E486 PolarHBondContact O-N 3.24Å |
| 485 | G | 65 | Low | 81.6 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -30 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S440 | S440-G485 VanDerWaalsContact O-CA 3.24Å; S440-G485 WeakPolarHBondContact O-CA 3.4Å; S440-G485 PolarHBondContact O-N 3.32Å |
| 486 | E | 74.4 | Confident | 81 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 138.7 | -173.5 | -65.2 | -166.6 | 113.7 | 0 | 0 | 114.8 | C482 S483 F484 K488 N629 | C482-E486 CarbonylContact C-O 3.58Å; C482-E486 VanDerWaalsContact CA-O 3.28Å; C482-E486 WeakPolarHBondContact CA-O 3.43Å; S483-E486 PolarHBondContact N-O 3Å; S483-E486 PolarHBondContact O-N 3.26Å; F484-E486 VanDerWaalsContact C-N 3.3Å; F484-E486 PolarHBondContact O-N 3.24Å; E486-K488 HydrophobicContact CB-CG 4.24Å; E486-K488 PolarHBondContact O-N 3.48Å; E486-K488 VanDerWaalsContact O-N 3.11Å; E486-K488 WeakPolarHBondContact OE2-CE 3.39Å; E486-K488 IonicContact OE2-NZ 2.85Å; E486-K488 PolarHBondContact OE2-NZ 2.82Å; E486-N629 PolarHBondContact OE2-OD1 3.39Å |
| 487 | W | 79.4 | Confident | 80.5 | Confident | 41 Ų | 41 | 51.1 Ų | 51.1 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 80.2 | 176.2 | -72.4 | 104.1 | 0 | 0 | 0 | 112.3 | K443 P445 A462 A464 I480 C482 G489 | K443-W487 PolarHBondContact O-NE1 2.62Å; P445-W487 HydrophobicContact CB-CD2 4.17Å; P445-W487 HydrophobicContact CB-CG 4.36Å; P445-W487 HydrophobicContact CB-CZ2 4.44Å; P445-W487 HydrophobicContact CG-CZ2 4.1Å; A462-W487 HydrophobicContact CB-CH2 4.15Å; A464-W487 HydrophobicContact CB-CE3 4.11Å; A464-W487 HydrophobicContact CB-CH2 3.79Å; A464-W487 HydrophobicContact CB-CZ2 4.46Å; A464-W487 HydrophobicContact CB-CZ3 3.59Å; I480-W487 HydrophobicContact CD1-CB 4.06Å; I480-W487 HydrophobicContact CD1-CD2 4.42Å; I480-W487 HydrophobicContact CD1-CE3 4.22Å; I480-W487 HydrophobicContact CD1-CG 4.39Å; I480-W487 HydrophobicContact CG1-CE3 3.94Å; C482-W487 HydrophobicContact CB-CD2 4.27Å; C482-W487 HydrophobicContact CB-CE3 4.05Å; C482-W487 HydrophobicContact CB-CH2 4.13Å; C482-W487 HydrophobicContact CB-CZ2 4.35Å; C482-W487 HydrophobicContact CB-CZ3 3.97Å; W487-G489 PolarHBondContact O-N 2.03Å |
| 488 | K | 80.3 | Confident | 80.2 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 17% | 0.174 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 115.4 | -176.7 | -59.7 | -172.5 | -171.5 | -79.1 | 0 | 111.7 | R481 E486 R626 D628 | R481-K488 PolarHBondContact O-N 3.33Å; E486-K488 HydrophobicContact CB-CG 4.24Å; E486-K488 PolarHBondContact O-N 3.48Å; E486-K488 VanDerWaalsContact O-N 3.11Å; E486-K488 WeakPolarHBondContact OE2-CE 3.39Å; E486-K488 IonicContact OE2-NZ 2.85Å; E486-K488 PolarHBondContact OE2-NZ 2.82Å; K488-R626 HydrophobicContact CB-CG 4.48Å; K488-R626 HydrophobicContact CD-CG 4.39Å; K488-D628 WeakPolarHBondContact CD-OD1 3.45Å; K488-D628 IonicContact NZ-OD1 2.61Å; K488-D628 PolarHBondContact NZ-OD1 3.27Å; K488-D628 IonicContact NZ-OD2 3.83Å; K488-D628 PolarHBondContact NZ-OD2 3.07Å |
| 489 | G | 79.2 | Confident | 80 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 159.7 | 154.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W487 R491 K625 | W487-G489 PolarHBondContact O-N 2.03Å; G489-R491 PolarHBondContact O-N 3.29Å; G489-K625 WeakPolarHBondContact CA-O 3.12Å |
| 490 | I | 83 | Confident | 79.7 | Confident | 111 Ų | 111 | 50.1 Ų | 50.1 | 57% | 0.569 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 123.3 | 176.9 | -54.3 | 172 | 0 | 0 | 0 | 109.7 | P477 K625 | P477-I490 HydrophobicContact CG-CB 4.13Å; I490-K625 PolarHBondContact N-O 3.22Å |
| 491 | R | 80.2 | Confident | 79.3 | Confident | 122 Ų | 122 | 50.4 Ų | 50.4 | 46% | 0.46 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 125.4 | 175.4 | -167.6 | -170 | -61.2 | -160.1 | 2.9 | 109.6 | E446 V448 F466 G489 | E446-R491 IonicContact OE1-NH2 2.83Å; E446-R491 PolarHBondContact OE1-NH2 3.43Å; E446-R491 IonicContact OE2-CZ 2.69Å; E446-R491 VanDerWaalsContact OE2-CZ 3.24Å; E446-R491 IonicContact OE2-NH1 3.05Å; E446-R491 PolarHBondContact OE2-NH1 2.79Å; E446-R491 IonicContact OE2-NH2 2.66Å; E446-R491 PolarHBondContact OE2-NH2 2.95Å; V448-R491 HydrophobicContact CG1-CG 4.05Å; F466-R491 HydrophobicContact CZ-CG 4.29Å; G489-R491 PolarHBondContact O-N 3.29Å |
| 492 | P | 86.3 | Confident | 78.9 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 164.4 | 178.1 | 34.2 | -37.2 | 0 | 0 | 0 | 112.2 | V448 F466 L474 K475 P477 | V448-P492 VanDerWaalsContact CG1-O 3.23Å; V448-P492 WeakPolarHBondContact CG1-O 3.27Å; F466-P492 HydrophobicContact CB-CG 3.69Å; F466-P492 HydrophobicContact CD1-CG 4.45Å; F466-P492 HydrophobicContact CD2-CG 3.37Å; F466-P492 HydrophobicContact CE2-CG 4.08Å; F466-P492 HydrophobicContact CG-CG 3.58Å; L474-P492 HydrophobicContact CD1-CB 3.72Å; L474-P492 HydrophobicContact CD1-CG 3.89Å; L474-P492 HydrophobicContact CD2-CB 4.41Å; L474-P492 HydrophobicContact CG-CB 3.96Å; L474-P492 HydrophobicContact CG-CG 4.45Å; K475-P492 CarbonylContact O-C 3.46Å; K475-P492 VanDerWaalsContact O-CA 3.24Å; K475-P492 WeakPolarHBondContact O-CA 3.47Å; K475-P492 WeakPolarHBondContact O-CB 3.22Å; P477-P492 WeakPolarHBondContact O-CD 3.45Å; P477-P492 VanDerWaalsContact O-CG 3.31Å; P477-P492 WeakPolarHBondContact O-CG 3.31Å |
| 493 | V | 87.2 | Confident | 78.7 | Confident | 89 Ų | 89 | 51.1 Ų | 51.1 | 54% | 0.539 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.9 | -178.8 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | K475 T495 | K475-V493 PolarHBondContact N-O 2.98Å; K475-V493 PolarHBondContact O-N 2.92Å; V493-T495 HydrophobicContact CG1-CG2 4.31Å |
| 494 | C | 87.9 | Confident | 78.9 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 103.2 | 174.7 | -66.5 | 0 | 0 | 0 | 0 | 110.4 | R449 N450 C468 Q473 | R449-C494 WeakPolarHBondContact O-CB 2.98Å; N450-C494 HydrophobicContact CB-CB 3.99Å; N450-C494 WeakPolarHBondContact O-CB 3.23Å; N450-C494 PolarHBondContact O-SG 2.94Å; C468-C494 WeakPolarHBondContact CA-SG 3.3Å; C468-C494 HydrophobicContact CB-CB 3.82Å; C468-C494 WeakPolarHBondContact CB-SG 3.36Å; C468-C494 VanDerWaalsContact SG-CA 3.53Å; C468-C494 WeakPolarHBondContact SG-CB 3.34Å; C468-C494 CovalentContact SG-SG 2.04Å; C468-C494 PolarHBondContact SG-SG 2.83Å; Q473-C494 WeakPolarHBondContact O-CA 3.05Å |
| 495 | T | 83.4 | Confident | 79.3 | Confident | 40 Ų | 40 | 52.9 Ų | 52.9 | 25% | 0.245 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 146 | 177.6 | 57.2 | 0 | 0 | 0 | 0 | 111.4 | Y472 Q473 K475 V493 | Y472-T495 CarbonylContact C-O 3.46Å; Y472-T495 WeakPolarHBondContact CA-O 3.22Å; Q473-T495 VanDerWaalsContact CG-O 3.28Å; Q473-T495 WeakPolarHBondContact CG-O 3.41Å; Q473-T495 PolarHBondContact N-O 2.8Å; Q473-T495 PolarHBondContact O-N 2.84Å; Q473-T495 PolarHBondContact O-OG1 2.86Å; K475-T495 HydrophobicContact CD-CG2 3.87Å; K475-T495 VanDerWaalsContact CE-OG1 3.32Å; K475-T495 WeakPolarHBondContact CE-OG1 3.36Å; K475-T495 HydrophobicContact CG-CG2 4.31Å; V493-T495 HydrophobicContact CG1-CG2 4.31Å |
| 496 | E | 73.6 | Confident | 79.7 | Confident | 71 Ų | 71 | 52.7 Ų | 52.7 | 33% | 0.332 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 141.3 | -177.7 | -157.8 | -175.8 | 145.7 | 0 | 0 | 112.3 | Y472 H498 G533 E534 | Y472-E496 HydrophobicContact CD1-CB 4.28Å; Y472-E496 HydrophobicContact CE1-CB 4.04Å; Y472-E496 HydrophobicContact CE1-CG 4.27Å; E496-H498 PolarHBondContact O-ND1 3.41Å; E496-H498 VanDerWaalsContact O-ND1 3.15Å; E496-G533 WeakPolarHBondContact OE1-CA 3.24Å; E496-E534 HydrophobicContact CG-CB 4.33Å; E496-E534 PolarHBondContact OE1-N 3.3Å |
| 497 | K | 76 | Confident | 79.7 | Confident | 61 Ų | 61 | 50.2 Ų | 50.2 | 27% | 0.265 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 146.3 | 166.3 | -68.8 | -173.8 | 175.8 | -169.4 | 0 | 109.5 | G471 Q473 N558 | G471-K497 WeakPolarHBondContact O-CB 3.35Å; G471-K497 PolarHBondContact O-N 2.76Å; Q473-K497 HydrophobicContact CB-CG 4.32Å; Q473-K497 HydrophobicContact CG-CG 4.32Å; K497-N558 WeakPolarHBondContact CD-O 3.27Å; K497-N558 PolarHBondContact NZ-OD1 3.32Å |
| 498 | H | 80.4 | Confident | 79.7 | Confident | 97 Ų | 97 | 53.4 Ų | 53.4 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.2 | 178.9 | -67.6 | 57.7 | 0 | 0 | 0 | 109.6 | E496 A531 V532 | E496-H498 PolarHBondContact O-ND1 3.41Å; E496-H498 VanDerWaalsContact O-ND1 3.15Å; H498-A531 HydrophobicContact CB-CB 3.98Å; H498-V532 CarbonylContact C-O 3.51Å; H498-V532 WeakPolarHBondContact CA-O 3.02Å; H498-V532 WeakPolarHBondContact CB-O 3.33Å |
| 499 | C | 82.3 | Confident | 79.8 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 145.7 | 169.9 | -66.6 | 0 | 0 | 0 | 0 | 111.2 | V532 C556 T560 W561 | C499-V532 PolarHBondContact N-O 3.23Å; C499-V532 PolarHBondContact O-N 2.84Å; C499-V532 VanDerWaalsContact O-N 3.08Å; C499-C556 HydrophobicContact CB-CB 3.88Å; C499-C556 WeakPolarHBondContact CB-SG 3.23Å; C499-C556 PolarHBondContact N-SG 2.64Å; C499-C556 VanDerWaalsContact N-SG 3.39Å; C499-C556 WeakPolarHBondContact SG-CA 3.14Å; C499-C556 WeakPolarHBondContact SG-CB 3.48Å; C499-C556 CovalentContact SG-SG 2.03Å; C499-C556 PolarHBondContact SG-SG 2.91Å; C499-T560 VanDerWaalsContact SG-C 3.52Å; C499-T560 PolarHBondContact SG-N 3.14Å; C499-T560 VanDerWaalsContact SG-N 3.41Å; C499-T560 PolarHBondContact SG-O 2.87Å; C499-W561 HydrophobicContact CB-CD2 4.27Å; C499-W561 HydrophobicContact CB-CZ2 3.93Å |
| 500 | P | 81.1 | Confident | 80 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 161.9 | 172.2 | 31.2 | -37.4 | 0 | 0 | 0 | 111.5 | V505 W561 | P500-V505 HydrophobicContact CB-CG2 4.4Å; P500-V505 HydrophobicContact CG-CG2 3.61Å; P500-W561 PolarHBondContact O-NE1 3.35Å |
| 501 | H | 79.5 | Confident | 80.2 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 9% | 0.093 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 131.4 | -179.2 | -172.9 | -81.5 | 0 | 0 | 0 | 112.5 | K503 T504 Y525 D527 I529 | H501-K503 VanDerWaalsContact C-N 3.34Å; H501-K503 PolarHBondContact ND1-N 3.48Å; H501-K503 PolarHBondContact O-N 3.13Å; H501-K503 VanDerWaalsContact O-N 3.16Å; H501-T504 HydrophobicContact CB-CG2 4.12Å; H501-T504 PolarHBondContact O-N 2.79Å; H501-T504 PolarHBondContact O-OG1 2.86Å; H501-Y525 AromaticContact CD2-CE1 3.53Å; H501-Y525 AromaticContact NE2-CD1 3.74Å; H501-Y525 AromaticContact NE2-CE1 3.32Å; H501-Y525 VanDerWaalsContact NE2-CE1 3.32Å; H501-Y525 WeakPolarHBondContact NE2-CE1 3.27Å; H501-D527 IonicContact CE1-OD1 3.24Å; H501-D527 PolarHBondContact CE1-OD1 2.83Å; H501-D527 WeakPolarHBondContact NE2-CA 3.23Å; H501-D527 IonicContact NE2-OD1 2.89Å; H501-I529 PolarHBondContact CD2-O 2.78Å; H501-I529 VanDerWaalsContact CD2-O 3.31Å |
| 502 | P | 74.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -46 | -173 | -30 | 35.4 | 0 | 0 | 0 | 114.5 | T504 V505 I506 I514 Y525 I538 W561 | P502-T504 PolarHBondContact O-N 2.99Å; P502-T504 VanDerWaalsContact O-N 3.12Å; P502-V505 PolarHBondContact O-N 2.82Å; P502-I506 WeakPolarHBondContact O-CB 3.36Å; P502-I506 PolarHBondContact O-N 2.74Å; P502-I514 HydrophobicContact CB-CD1 3.98Å; P502-I514 HydrophobicContact CB-CG2 4.28Å; P502-Y525 WeakPolarHBondContact CD-OH 3.16Å; P502-Y525 HydrophobicContact CG-CD2 3.91Å; P502-Y525 HydrophobicContact CG-CE1 4.26Å; P502-Y525 HydrophobicContact CG-CE2 3.55Å; P502-Y525 HydrophobicContact CG-CG 4.4Å; P502-I538 HydrophobicContact CB-CD1 3.76Å; P502-I538 HydrophobicContact CG-CD1 3.76Å; P502-I538 HydrophobicContact CG-CG2 4.21Å; P502-W561 HydrophobicContact CG-CH2 4.32Å; P502-W561 HydrophobicContact CG-CZ2 3.72Å |
| 503 | K | 76.3 | Confident | 80.4 | Confident | 70 Ų | 70 | 54.5 Ų | 54.5 | 30% | 0.304 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.9 | -25.3 | 178.1 | -60.2 | -177.7 | -170.5 | 169.4 | 0 | 113.9 | H501 V505 G507 I514 D527 | H501-K503 VanDerWaalsContact C-N 3.34Å; H501-K503 PolarHBondContact ND1-N 3.48Å; H501-K503 PolarHBondContact O-N 3.13Å; H501-K503 VanDerWaalsContact O-N 3.16Å; K503-V505 VanDerWaalsContact C-N 3.33Å; K503-G507 VanDerWaalsContact O-CA 3.23Å; K503-G507 WeakPolarHBondContact O-CA 3.47Å; K503-G507 PolarHBondContact O-N 2.67Å; K503-G507 VanDerWaalsContact O-N 3.09Å; K503-I514 HydrophobicContact CG-CD1 4.18Å; K503-D527 WeakPolarHBondContact CD-OD1 3.46Å; K503-D527 WeakPolarHBondContact CE-OD1 3.47Å; K503-D527 IonicContact NZ-OD1 2.75Å; K503-D527 PolarHBondContact NZ-OD1 3.49Å; K503-D527 IonicContact NZ-OD2 3.14Å; K503-D527 PolarHBondContact NZ-OD2 2.93Å |
| 504 | T | 78.2 | Confident | 80.4 | Confident | 106 Ų | 106 | 51 Ų | 51 | 65% | 0.65 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -82.3 | -9.6 | 179.8 | 69.2 | 0 | 0 | 0 | 0 | 113.7 | H501 P502 | H501-T504 HydrophobicContact CB-CG2 4.12Å; H501-T504 PolarHBondContact O-N 2.79Å; H501-T504 PolarHBondContact O-OG1 2.86Å; P502-T504 PolarHBondContact O-N 2.99Å; P502-T504 VanDerWaalsContact O-N 3.12Å |
| 505 | V | 76.1 | Confident | 80.2 | Confident | 63 Ų | 63 | 52.5 Ų | 52.5 | 38% | 0.382 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -115.7 | -39 | 177.7 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | P500 P502 K503 N564 | P500-V505 HydrophobicContact CB-CG2 4.4Å; P500-V505 HydrophobicContact CG-CG2 3.61Å; P502-V505 PolarHBondContact O-N 2.82Å; K503-V505 VanDerWaalsContact C-N 3.33Å; V505-N564 WeakPolarHBondContact CG1-OD1 3.36Å |
| 506 | I | 75 | Confident | 80.1 | Confident | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -97.9 | -21.2 | -173.2 | -55.3 | -179.4 | 0 | 0 | 0 | 111.4 | P502 I538 F540 R566 | P502-I506 WeakPolarHBondContact O-CB 3.36Å; P502-I506 PolarHBondContact O-N 2.74Å; I506-I538 HydrophobicContact CD1-CD1 4.05Å; I506-F540 HydrophobicContact CD1-CE1 3.84Å; I506-F540 HydrophobicContact CD1-CZ 3.66Å; I506-F540 HydrophobicContact CG2-CE1 4.46Å; I506-R566 HydrophobicContact CG2-CB 4.12Å; I506-R566 HydrophobicContact CG2-CG 4.04Å; I506-R566 WeakPolarHBondContact O-CD 3.32Å; I506-R566 VanDerWaalsContact O-CG 3.3Å; I506-R566 WeakPolarHBondContact O-CG 3.39Å; I506-R566 PolarHBondContact O-NE 2.76Å |
| 507 | G | 74.3 | Confident | 80.2 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 27% | 0.268 | 27% | 0.266 | S | S | . | . | trans | 73.7 | -170.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K503 | K503-G507 VanDerWaalsContact O-CA 3.23Å; K503-G507 WeakPolarHBondContact O-CA 3.47Å; K503-G507 PolarHBondContact O-N 2.67Å; K503-G507 VanDerWaalsContact O-N 3.09Å | ||
| 508 | N | 78.7 | Confident | 79.8 | Confident | 109 Ų | 109 | 48.9 Ų | 48.9 | 58% | 0.583 | 27% | 0.268 | S | S | * | . | trans | -79.7 | 150.7 | 169.6 | -68.9 | -20 | 0 | 0 | 0 | 110.3 | R566 | N508-R566 PolarHBondContact O-NE 2.88Å; N508-R566 PolarHBondContact O-NH2 2.73Å | ||
| 509 | I | 82.3 | Confident | 79 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | trans | -101.2 | 112.4 | 172.8 | -58.7 | 166.5 | 0 | 0 | 0 | 106.8 | H511 G512 I514 F540 P567 | I509-H511 PolarHBondContact O-N 2.91Å; I509-G512 PolarHBondContact O-N 2.85Å; I509-G512 VanDerWaalsContact O-O 3.08Å; I509-I514 HydrophobicContact CD1-CG1 4.1Å; I509-F540 HydrophobicContact CD1-CB 4.12Å; I509-F540 HydrophobicContact CD1-CD1 3.51Å; I509-F540 HydrophobicContact CD1-CE1 4.3Å; I509-F540 HydrophobicContact CD1-CG 4.12Å; I509-P567 HydrophobicContact CD1-CG 3.86Å; I509-P567 HydrophobicContact CG1-CG 4.48Å | ||
| 510 | E | 84 | Confident | 78 | Confident | 146 Ų | 146 | 57.5 Ų | 57.5 | 68% | 0.682 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 132.9 | 172.3 | -76.4 | 162.3 | -154.5 | 0 | 0 | 109.2 | G512 C569 | E510-G512 PolarHBondContact O-N 3.03Å; E510-G512 VanDerWaalsContact O-N 3.11Å; E510-C569 WeakPolarHBondContact O-CB 3.19Å |
| 511 | H | 86.5 | Confident | 77.2 | Confident | 97 Ų | 97 | 56.6 Ų | 56.6 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 22.8 | -171.6 | -52.4 | -73.5 | 0 | 0 | 0 | 115.4 | I509 H543 Y546 C569 | I509-H511 PolarHBondContact O-N 2.91Å; H511-H543 PolarHBondContact O-N 2.9Å; H511-H543 PolarHBondContact O-ND1 2.84Å; H511-Y546 HydrophobicContact CB-CD1 3.63Å; H511-Y546 HydrophobicContact CB-CD2 3.96Å; H511-Y546 HydrophobicContact CB-CE1 3.7Å; H511-Y546 HydrophobicContact CB-CE2 4.04Å; H511-Y546 HydrophobicContact CB-CG 3.78Å; H511-Y546 AromaticContact CD2-CE1 3.46Å; H511-Y546 VanDerWaalsContact CD2-CE1 3.46Å; H511-Y546 WeakPolarHBondContact CD2-CE1 3.5Å; H511-Y546 AromaticContact CD2-CZ 3.8Å; H511-Y546 AromaticContact CE1-CZ 3.72Å; H511-Y546 PolarHBondContact CE1-OH 2.71Å; H511-Y546 AromaticContact CG-CD1 3.87Å; H511-Y546 AromaticContact CG-CE1 3.37Å; H511-Y546 AromaticContact CG-CE2 3.92Å; H511-Y546 AromaticContact CG-CZ 3.41Å; H511-Y546 VanDerWaalsContact CG-CZ 3.41Å; H511-Y546 AromaticContact ND1-CE1 3.84Å; H511-Y546 AromaticContact ND1-CE2 3.76Å; H511-Y546 AromaticContact ND1-CZ 3.36Å; H511-Y546 PolarHBondContact ND1-OH 3.02Å; H511-Y546 AromaticContact NE2-CE1 3.98Å; H511-Y546 AromaticContact NE2-CZ 3.98Å; H511-C569 HydrophobicContact CB-CB 4Å; H511-C569 PolarHBondContact O-SG 2.82Å |
| 512 | G | 84.4 | Confident | 76.7 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 13% | 0.134 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 175.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | I509 E510 E541 H543 | I509-G512 PolarHBondContact O-N 2.85Å; I509-G512 VanDerWaalsContact O-O 3.08Å; E510-G512 PolarHBondContact O-N 3.03Å; E510-G512 VanDerWaalsContact O-N 3.11Å; G512-E541 CarbonylContact C-O 3.56Å; G512-E541 WeakPolarHBondContact CA-O 3.15Å; G512-H543 PolarHBondContact N-ND1 3.12Å |
| 513 | L | 86.9 | Confident | 76.9 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 27% | 0.267 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 155.8 | -179 | 57.9 | 86.3 | 0 | 0 | 0 | 111.3 | K515 E541 | L513-K515 HydrophobicContact CD1-CD 4.35Å; L513-K515 HydrophobicContact CD1-CG 3.87Å; L513-E541 HydrophobicContact CD1-CB 3.87Å; L513-E541 HydrophobicContact CG-CB 4.38Å; L513-E541 PolarHBondContact N-O 3.18Å; L513-E541 PolarHBondContact O-N 3.47Å |
| 514 | I | 86.9 | Confident | 77 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 7% | 0.072 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.3 | -177.9 | -53.4 | 175.7 | 0 | 0 | 0 | 108.1 | P502 K503 I509 Y525 I538 F540 | P502-I514 HydrophobicContact CB-CD1 3.98Å; P502-I514 HydrophobicContact CB-CG2 4.28Å; K503-I514 HydrophobicContact CG-CD1 4.18Å; I509-I514 HydrophobicContact CD1-CG1 4.1Å; I514-Y525 HydrophobicContact CG2-CD2 4.44Å; I514-Y525 HydrophobicContact CG2-CG 4.4Å; I514-Y525 WeakPolarHBondContact O-CB 3.36Å; I514-Y525 PolarHBondContact O-N 3.07Å; I514-I538 HydrophobicContact CG2-CB 4.25Å; I514-I538 HydrophobicContact CG2-CD1 4.2Å; I514-F540 HydrophobicContact CG1-CD1 4.16Å; I514-F540 HydrophobicContact CG1-CE1 4.38Å; I514-F540 HydrophobicContact CG2-CD1 4.46Å; I514-F540 HydrophobicContact CG2-CE1 4.4Å |
| 515 | K | 84.6 | Confident | 76.9 | Confident | 39 Ų | 39 | 61.6 Ų | 61.6 | 17% | 0.17 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 140.3 | 172.3 | -67.9 | -175 | -179.7 | 170.6 | 0 | 111.2 | L513 Y523 I538 A539 E541 | L513-K515 HydrophobicContact CD1-CD 4.35Å; L513-K515 HydrophobicContact CD1-CG 3.87Å; K515-Y523 CarbonylContact C-O 3.56Å; K515-Y523 WeakPolarHBondContact CA-O 3.18Å; K515-Y523 WeakPolarHBondContact CB-O 3.45Å; K515-I538 CarbonylContact O-C 3.58Å; K515-I538 WeakPolarHBondContact O-CA 3.19Å; K515-I538 WeakPolarHBondContact O-CB 3.47Å; K515-A539 PolarHBondContact N-O 3.49Å; K515-A539 PolarHBondContact O-N 3.12Å; K515-E541 VanDerWaalsContact CE-OE1 3.32Å; K515-E541 WeakPolarHBondContact CE-OE1 3.4Å; K515-E541 VanDerWaalsContact CE-OE2 3.31Å; K515-E541 WeakPolarHBondContact CE-OE2 3.24Å; K515-E541 IonicContact NZ-OE1 3.63Å; K515-E541 PolarHBondContact NZ-OE1 3.39Å; K515-E541 IonicContact NZ-OE2 2.69Å; K515-E541 PolarHBondContact NZ-OE2 2.96Å |
| 516 | L | 79.9 | Confident | 77 | Confident | 28 Ų | 28 | 62.5 Ų | 62.5 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 129.2 | 164.7 | -176.8 | 67.9 | 0 | 0 | 0 | 108.8 | S522 Y523 Y525 I529 I538 | L516-S522 WeakPolarHBondContact O-CA 3.34Å; L516-Y523 PolarHBondContact N-O 3.1Å; L516-Y523 PolarHBondContact O-N 2.9Å; L516-Y525 HydrophobicContact CB-CD2 3.88Å; L516-Y525 HydrophobicContact CB-CE2 4.44Å; L516-Y525 HydrophobicContact CD1-CD2 4.31Å; L516-Y525 HydrophobicContact CD1-CE2 4.1Å; L516-I529 HydrophobicContact CD2-CD1 4.16Å; L516-I538 HydrophobicContact CD1-CG2 4.07Å |
| 517 | E | 76.7 | Confident | 77 | Confident | 38 Ų | 38 | 66.8 Ų | 66.8 | 18% | 0.178 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 124.8 | 171.6 | -62.5 | -173 | 136.1 | 0 | 0 | 109.6 | T537 A539 R553 | E517-T537 WeakPolarHBondContact CB-OG1 3.37Å; E517-T537 PolarHBondContact N-O 3.03Å; E517-T537 VanDerWaalsContact N-O 3.09Å; E517-T537 WeakPolarHBondContact OE2-CB 3.47Å; E517-T537 PolarHBondContact OE2-OG1 2.63Å; E517-A539 HydrophobicContact CG-CB 4.17Å; E517-R553 VanDerWaalsContact CD-NE 3.32Å; E517-R553 IonicContact OE1-CZ 2.65Å; E517-R553 IonicContact OE1-NE 2.7Å; E517-R553 PolarHBondContact OE1-NE 3.39Å; E517-R553 IonicContact OE1-NH2 3.09Å; E517-R553 PolarHBondContact OE1-NH2 2.96Å; E517-R553 IonicContact OE2-CZ 3.41Å; E517-R553 IonicContact OE2-NE 2.66Å; E517-R553 PolarHBondContact OE2-NE 2.91Å; E517-R553 VanDerWaalsContact OE2-NE 3.14Å; E517-R553 IonicContact OE2-NH2 2.73Å |
| 518 | G | 66.3 | Low | 77.1 | Confident | 31 Ų | 31 | 74.2 Ų | 74.2 | 32% | 0.32 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 167.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L520 G521 | G518-L520 PolarHBondContact O-N 2.71Å; G518-G521 PolarHBondContact N-O 2.8Å; G518-G521 PolarHBondContact O-N 3.41Å; G518-G521 VanDerWaalsContact O-N 3.1Å |
| 519 | S | 64.5 | Low | 76.8 | Confident | 129 Ų | 129 | 70.7 Ų | 70.7 | 90% | 0.902 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 1.7 | 178.3 | 56.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 520 | L | 61.7 | Low | 76.2 | Confident | 150 Ų | 150 | 80.6 Ų | 80.6 | 79% | 0.785 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | -0.2 | -179.6 | -66.9 | 166.7 | 0 | 0 | 0 | 112.5 | G518 Y523 | G518-L520 PolarHBondContact O-N 2.71Å; L520-Y523 HydrophobicContact CB-CE2 4.27Å; L520-Y523 WeakPolarHBondContact CB-OH 3.43Å; L520-Y523 PolarHBondContact O-OH 3.49Å; L520-Y523 VanDerWaalsContact O-OH 3.14Å |
| 521 | G | 63.2 | Low | 75.5 | Confident | 37 Ų | 37 | 76.1 Ų | 76.1 | 38% | 0.381 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.6 | -176.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G518 Y523 | G518-G521 PolarHBondContact N-O 2.8Å; G518-G521 PolarHBondContact O-N 3.41Å; G518-G521 VanDerWaalsContact O-N 3.1Å; G521-Y523 WeakPolarHBondContact O-CE2 3.42Å |
| 522 | S | 69 | Low | 75 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 44% | 0.441 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 123.3 | 173.6 | 58.4 | 0 | 0 | 0 | 0 | 110.8 | L516 | L516-S522 WeakPolarHBondContact O-CA 3.34Å |
| 523 | Y | 78.9 | Confident | 74.5 | Confident | 123 Ų | 123 | 71.8 Ų | 71.8 | 48% | 0.482 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 144.6 | -176.5 | -57 | -79 | 0 | 0 | 0 | 110.6 | K515 L516 L520 G521 Y525 | K515-Y523 CarbonylContact C-O 3.56Å; K515-Y523 WeakPolarHBondContact CA-O 3.18Å; K515-Y523 WeakPolarHBondContact CB-O 3.45Å; L516-Y523 PolarHBondContact N-O 3.1Å; L516-Y523 PolarHBondContact O-N 2.9Å; L520-Y523 HydrophobicContact CB-CE2 4.27Å; L520-Y523 WeakPolarHBondContact CB-OH 3.43Å; L520-Y523 PolarHBondContact O-OH 3.49Å; L520-Y523 VanDerWaalsContact O-OH 3.14Å; G521-Y523 WeakPolarHBondContact O-CE2 3.42Å; Y523-Y525 PolarHBondContact O-N 2.98Å |
| 524 | E | 79.3 | Confident | 73.9 | Confident | 108 Ų | 108 | 70.5 Ų | 70.5 | 51% | 0.505 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 127 | 173 | -167 | -154.1 | 133.9 | 0 | 0 | 110.9 | K526 | E524-K526 PolarHBondContact O-N 3.26Å; E524-K526 VanDerWaalsContact O-N 3.11Å; E524-K526 WeakPolarHBondContact OE1-CE 3.29Å; E524-K526 IonicContact OE1-NZ 2.68Å; E524-K526 PolarHBondContact OE1-NZ 3.06Å; E524-K526 WeakPolarHBondContact OE2-CE 3.08Å; E524-K526 IonicContact OE2-NZ 2.78Å; E524-K526 PolarHBondContact OE2-NZ 2.88Å |
| 525 | Y | 75.6 | Confident | 73.4 | Confident | 7 Ų | 7 | 77 Ų | 77 | 3% | 0.027 | 40% | 0.398 | C | S | . | . | trans | -74.3 | 104.4 | -175 | -164.4 | -63 | 0 | 0 | 0 | 110.4 | H501 P502 I514 L516 Y523 I529 V532 I538 | H501-Y525 AromaticContact CD2-CE1 3.53Å; H501-Y525 AromaticContact NE2-CD1 3.74Å; H501-Y525 AromaticContact NE2-CE1 3.32Å; H501-Y525 VanDerWaalsContact NE2-CE1 3.32Å; H501-Y525 WeakPolarHBondContact NE2-CE1 3.27Å; P502-Y525 WeakPolarHBondContact CD-OH 3.16Å; P502-Y525 HydrophobicContact CG-CD2 3.91Å; P502-Y525 HydrophobicContact CG-CE1 4.26Å; P502-Y525 HydrophobicContact CG-CE2 3.55Å; P502-Y525 HydrophobicContact CG-CG 4.4Å; I514-Y525 HydrophobicContact CG2-CD2 4.44Å; I514-Y525 HydrophobicContact CG2-CG 4.4Å; I514-Y525 WeakPolarHBondContact O-CB 3.36Å; I514-Y525 PolarHBondContact O-N 3.07Å; L516-Y525 HydrophobicContact CB-CD2 3.88Å; L516-Y525 HydrophobicContact CB-CE2 4.44Å; L516-Y525 HydrophobicContact CD1-CD2 4.31Å; L516-Y525 HydrophobicContact CD1-CE2 4.1Å; Y523-Y525 PolarHBondContact O-N 2.98Å; Y525-I529 HydrophobicContact CE1-CB 3.68Å; Y525-I529 HydrophobicContact CE1-CD1 4.36Å; Y525-I529 HydrophobicContact CE1-CG1 4.48Å; Y525-I529 HydrophobicContact CE1-CG2 4.22Å; Y525-I529 HydrophobicContact CE2-CG2 4.44Å; Y525-I529 VanDerWaalsContact OH-CG2 3.3Å; Y525-I529 WeakPolarHBondContact OH-CG2 3.4Å; Y525-I529 PolarHBondContact OH-O 2.75Å; Y525-V532 HydrophobicContact CE2-CG2 3.94Å; Y525-V532 WeakPolarHBondContact OH-CG2 3.33Å; Y525-I538 HydrophobicContact CD2-CG2 3.91Å; Y525-I538 HydrophobicContact CE2-CG2 4.01Å | ||
| 526 | K | 77.5 | Confident | 73.3 | Confident | 82 Ų | 82 | 81.2 Ų | 81.2 | 36% | 0.357 | 41% | 0.413 | S | S | . | . | trans | -85.3 | 144.8 | -179.3 | -60.9 | -60.2 | -177.9 | -177.9 | 0 | 112.9 | E524 Y528 I529 | E524-K526 PolarHBondContact O-N 3.26Å; E524-K526 VanDerWaalsContact O-N 3.11Å; E524-K526 WeakPolarHBondContact OE1-CE 3.29Å; E524-K526 IonicContact OE1-NZ 2.68Å; E524-K526 PolarHBondContact OE1-NZ 3.06Å; E524-K526 WeakPolarHBondContact OE2-CE 3.08Å; E524-K526 IonicContact OE2-NZ 2.78Å; E524-K526 PolarHBondContact OE2-NZ 2.88Å; K526-Y528 HydrophobicContact CB-CD1 3.62Å; K526-Y528 HydrophobicContact CB-CE1 3.36Å; K526-Y528 HydrophobicContact CB-CG 4.47Å; K526-Y528 HydrophobicContact CG-CE1 3.87Å; K526-Y528 PolarHBondContact O-N 3.05Å; K526-I529 WeakPolarHBondContact O-CG1 3.37Å; K526-I529 PolarHBondContact O-N 2.87Å | ||
| 527 | D | 74.9 | Confident | 73.5 | Confident | 98 Ų | 98 | 81.7 Ų | 81.7 | 52% | 0.524 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -9.6 | -172.4 | -62.1 | -76.4 | 0 | 0 | 0 | 115.8 | H501 K503 I529 | H501-D527 IonicContact CE1-OD1 3.24Å; H501-D527 PolarHBondContact CE1-OD1 2.83Å; H501-D527 WeakPolarHBondContact NE2-CA 3.23Å; H501-D527 IonicContact NE2-OD1 2.89Å; K503-D527 WeakPolarHBondContact CD-OD1 3.46Å; K503-D527 WeakPolarHBondContact CE-OD1 3.47Å; K503-D527 IonicContact NZ-OD1 2.75Å; K503-D527 PolarHBondContact NZ-OD1 3.49Å; K503-D527 IonicContact NZ-OD2 3.14Å; K503-D527 PolarHBondContact NZ-OD2 2.93Å; D527-I529 VanDerWaalsContact C-N 3.26Å; D527-I529 PolarHBondContact O-N 3.42Å |
| 528 | Y | 78.1 | Confident | 74 | Confident | 182 Ų | 182 | 79.9 Ų | 79.9 | 71% | 0.714 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -15.2 | 171.7 | 66.4 | -106.5 | 0 | 0 | 0 | 113.4 | K526 R530 | K526-Y528 HydrophobicContact CB-CD1 3.62Å; K526-Y528 HydrophobicContact CB-CE1 3.36Å; K526-Y528 HydrophobicContact CB-CG 4.47Å; K526-Y528 HydrophobicContact CG-CE1 3.87Å; K526-Y528 PolarHBondContact O-N 3.05Å; Y528-R530 VanDerWaalsContact C-N 3.26Å; Y528-R530 PolarHBondContact O-N 3Å |
| 529 | I | 71.5 | Confident | 74.9 | Confident | 35 Ų | 35 | 79.2 Ų | 79.2 | 18% | 0.179 | 40% | 0.4 | C | S | . | . | trans | -82.6 | 72.7 | -177.2 | -50 | 171.8 | 0 | 0 | 0 | 109.5 | H501 L516 Y525 K526 D527 A531 V532 | H501-I529 PolarHBondContact CD2-O 2.78Å; H501-I529 VanDerWaalsContact CD2-O 3.31Å; L516-I529 HydrophobicContact CD2-CD1 4.16Å; Y525-I529 HydrophobicContact CE1-CB 3.68Å; Y525-I529 HydrophobicContact CE1-CD1 4.36Å; Y525-I529 HydrophobicContact CE1-CG1 4.48Å; Y525-I529 HydrophobicContact CE1-CG2 4.22Å; Y525-I529 HydrophobicContact CE2-CG2 4.44Å; Y525-I529 VanDerWaalsContact OH-CG2 3.3Å; Y525-I529 WeakPolarHBondContact OH-CG2 3.4Å; Y525-I529 PolarHBondContact OH-O 2.75Å; K526-I529 WeakPolarHBondContact O-CG1 3.37Å; K526-I529 PolarHBondContact O-N 2.87Å; D527-I529 VanDerWaalsContact C-N 3.26Å; D527-I529 PolarHBondContact O-N 3.42Å; I529-A531 PolarHBondContact O-N 2.84Å; I529-V532 HydrophobicContact CG2-CG2 4.47Å | ||
| 530 | R | 68.9 | Low | 76.1 | Confident | 222 Ų | 222 | 73.6 Ų | 73.6 | 84% | 0.838 | 36% | 0.359 | S | S | * | . | trans | -61.1 | -22.6 | -171.6 | -65.7 | -178.5 | -179 | -173.4 | -0.4 | 115.4 | Y528 | Y528-R530 VanDerWaalsContact C-N 3.26Å; Y528-R530 PolarHBondContact O-N 3Å | ||
| 531 | A | 70.5 | Confident | 77.2 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 42% | 0.421 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 143.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | H498 I529 | H498-A531 HydrophobicContact CB-CB 3.98Å; I529-A531 PolarHBondContact O-N 2.84Å |
| 532 | V | 76.1 | Confident | 78.4 | Confident | 7 Ų | 7 | 70 Ų | 70 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.6 | 179.2 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | H498 C499 Y525 I529 R536 W561 | H498-V532 CarbonylContact C-O 3.51Å; H498-V532 WeakPolarHBondContact CA-O 3.02Å; H498-V532 WeakPolarHBondContact CB-O 3.33Å; C499-V532 PolarHBondContact N-O 3.23Å; C499-V532 PolarHBondContact O-N 2.84Å; C499-V532 VanDerWaalsContact O-N 3.08Å; Y525-V532 HydrophobicContact CE2-CG2 3.94Å; Y525-V532 WeakPolarHBondContact OH-CG2 3.33Å; I529-V532 HydrophobicContact CG2-CG2 4.47Å; V532-R536 HydrophobicContact CG1-CB 3.36Å; V532-R536 HydrophobicContact CG1-CG 3.74Å; V532-W561 HydrophobicContact CB-CH2 3.92Å; V532-W561 HydrophobicContact CB-CZ2 3.97Å; V532-W561 HydrophobicContact CG1-CH2 3.85Å; V532-W561 HydrophobicContact CG1-CZ2 4.42Å; V532-W561 HydrophobicContact CG2-CH2 3.89Å; V532-W561 HydrophobicContact CG2-CZ2 3.78Å |
| 533 | G | 73.1 | Confident | 79.4 | Confident | 13 Ų | 13 | 71.5 Ų | 71.5 | 13% | 0.134 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 163.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E496 R536 C556 | E496-G533 WeakPolarHBondContact OE1-CA 3.24Å; G533-R536 WeakPolarHBondContact O-CB 3.47Å; G533-R536 VanDerWaalsContact O-CG 3.31Å; G533-R536 WeakPolarHBondContact O-CG 3.38Å; G533-R536 PolarHBondContact O-N 2.96Å; G533-C556 WeakPolarHBondContact O-CB 3.44Å |
| 534 | E | 73.8 | Confident | 79.5 | Confident | 24 Ų | 24 | 77.6 Ų | 77.6 | 11% | 0.112 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 145.5 | -178.1 | -168.7 | 90.1 | 154.8 | 0 | 0 | 111 | G471 E496 R536 N558 G559 | G471-E534 WeakPolarHBondContact CA-OE1 3.02Å; E496-E534 HydrophobicContact CG-CB 4.33Å; E496-E534 PolarHBondContact OE1-N 3.3Å; E534-R536 PolarHBondContact O-N 2.85Å; E534-N558 VanDerWaalsContact OE1-CA 3.24Å; E534-N558 WeakPolarHBondContact OE1-CA 3.36Å; E534-N558 PolarHBondContact OE1-N 2.72Å; E534-N558 WeakPolarHBondContact OE2-CA 3.19Å; E534-N558 PolarHBondContact OE2-N 2.91Å; E534-G559 PolarHBondContact OE2-N 2.83Å |
| 535 | H | 78.1 | Confident | 79.4 | Confident | 151 Ų | 151 | 74.3 Ų | 74.3 | 70% | 0.699 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | -0.3 | -176.9 | -45.9 | 88.3 | 0 | 0 | 0 | 116.6 | C556 | H535-C556 WeakPolarHBondContact CA-O 3.32Å; H535-C556 PolarHBondContact N-O 2.88Å |
| 536 | R | 81.4 | Confident | 79.9 | Confident | 127 Ų | 127 | 77.1 Ų | 77.1 | 48% | 0.479 | 36% | 0.359 | S | S | . | . | trans | -68.4 | 145.7 | 171 | -69.3 | -77.7 | -171.7 | 144.1 | 2.1 | 111.5 | V532 G533 E534 T555 C556 | V532-R536 HydrophobicContact CG1-CB 3.36Å; V532-R536 HydrophobicContact CG1-CG 3.74Å; G533-R536 WeakPolarHBondContact O-CB 3.47Å; G533-R536 VanDerWaalsContact O-CG 3.31Å; G533-R536 WeakPolarHBondContact O-CG 3.38Å; G533-R536 PolarHBondContact O-N 2.96Å; E534-R536 PolarHBondContact O-N 2.85Å; R536-T555 CarbonylContact O-C 3.58Å; R536-T555 WeakPolarHBondContact O-CA 3.3Å; R536-C556 PolarHBondContact O-N 2.76Å | ||
| 537 | T | 84.8 | Confident | 80 | Confident | 37 Ų | 37 | 76.5 Ų | 76.5 | 23% | 0.227 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 148.9 | 174.9 | 47.7 | 0 | 0 | 0 | 0 | 113.1 | E517 A554 T555 | E517-T537 WeakPolarHBondContact CB-OG1 3.37Å; E517-T537 PolarHBondContact N-O 3.03Å; E517-T537 VanDerWaalsContact N-O 3.09Å; E517-T537 WeakPolarHBondContact OE2-CB 3.47Å; E517-T537 PolarHBondContact OE2-OG1 2.63Å; T537-A554 CarbonylContact C-O 3.5Å; T537-A554 WeakPolarHBondContact CA-O 3.39Å; T537-T555 HydrophobicContact CG2-CG2 4.01Å; T537-T555 WeakPolarHBondContact CG2-OG1 3.4Å |
| 538 | I | 86.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 151.3 | 162.5 | 59.9 | 176 | 0 | 0 | 0 | 109 | P502 I506 I514 K515 L516 Y525 F540 R553 A554 W561 | P502-I538 HydrophobicContact CB-CD1 3.76Å; P502-I538 HydrophobicContact CG-CD1 3.76Å; P502-I538 HydrophobicContact CG-CG2 4.21Å; I506-I538 HydrophobicContact CD1-CD1 4.05Å; I514-I538 HydrophobicContact CG2-CB 4.25Å; I514-I538 HydrophobicContact CG2-CD1 4.2Å; K515-I538 CarbonylContact O-C 3.58Å; K515-I538 WeakPolarHBondContact O-CA 3.19Å; K515-I538 WeakPolarHBondContact O-CB 3.47Å; L516-I538 HydrophobicContact CD1-CG2 4.07Å; Y525-I538 HydrophobicContact CD2-CG2 3.91Å; Y525-I538 HydrophobicContact CE2-CG2 4.01Å; I538-F540 HydrophobicContact CD1-CE1 3.9Å; I538-F540 HydrophobicContact CD1-CZ 3.84Å; I538-F540 HydrophobicContact CG1-CE1 4.41Å; I538-F540 HydrophobicContact CG1-CZ 4.14Å; I538-R553 CarbonylContact O-C 3.49Å; I538-R553 WeakPolarHBondContact O-CA 3.36Å; I538-R553 WeakPolarHBondContact O-CB 3.45Å; I538-A554 HydrophobicContact CD1-CB 4.26Å; I538-A554 HydrophobicContact CG1-CB 3.96Å; I538-A554 WeakPolarHBondContact CG1-O 3.44Å; I538-A554 PolarHBondContact N-O 2.87Å; I538-A554 PolarHBondContact O-N 2.83Å; I538-W561 HydrophobicContact CB-CZ3 4.33Å; I538-W561 HydrophobicContact CD1-CD2 4.23Å; I538-W561 HydrophobicContact CD1-CE3 3.96Å; I538-W561 HydrophobicContact CD1-CH2 4.14Å; I538-W561 HydrophobicContact CD1-CZ2 4.42Å; I538-W561 HydrophobicContact CD1-CZ3 3.91Å; I538-W561 HydrophobicContact CG1-CE3 4.05Å; I538-W561 HydrophobicContact CG1-CH2 4.23Å; I538-W561 HydrophobicContact CG1-CZ3 3.73Å; I538-W561 HydrophobicContact CG2-CH2 3.61Å; I538-W561 HydrophobicContact CG2-CZ2 4.47Å; I538-W561 HydrophobicContact CG2-CZ3 3.86Å |
| 539 | A | 86.7 | Confident | 80.6 | Confident | 17 Ų | 17 | 70 Ų | 70 | 14% | 0.14 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 155.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | K515 E517 A552 R553 | K515-A539 PolarHBondContact N-O 3.49Å; K515-A539 PolarHBondContact O-N 3.12Å; E517-A539 HydrophobicContact CG-CB 4.17Å; A539-A552 WeakPolarHBondContact CA-O 3.33Å; A539-R553 HydrophobicContact CB-CG 4.2Å |
| 540 | F | 88.2 | Confident | 81.1 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 5% | 0.053 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.6 | 177.8 | -48.7 | -73.5 | 0 | 0 | 0 | 109.8 | I506 I509 I514 I538 L548 P551 A552 A554 P567 | I506-F540 HydrophobicContact CD1-CE1 3.84Å; I506-F540 HydrophobicContact CD1-CZ 3.66Å; I506-F540 HydrophobicContact CG2-CE1 4.46Å; I509-F540 HydrophobicContact CD1-CB 4.12Å; I509-F540 HydrophobicContact CD1-CD1 3.51Å; I509-F540 HydrophobicContact CD1-CE1 4.3Å; I509-F540 HydrophobicContact CD1-CG 4.12Å; I514-F540 HydrophobicContact CG1-CD1 4.16Å; I514-F540 HydrophobicContact CG1-CE1 4.38Å; I514-F540 HydrophobicContact CG2-CD1 4.46Å; I514-F540 HydrophobicContact CG2-CE1 4.4Å; I538-F540 HydrophobicContact CD1-CE1 3.9Å; I538-F540 HydrophobicContact CD1-CZ 3.84Å; I538-F540 HydrophobicContact CG1-CE1 4.41Å; I538-F540 HydrophobicContact CG1-CZ 4.14Å; F540-L548 HydrophobicContact CB-CD1 4.1Å; F540-L548 HydrophobicContact CB-CD2 4.23Å; F540-P551 WeakPolarHBondContact CD2-O 3.13Å; F540-A552 PolarHBondContact N-O 2.97Å; F540-A554 HydrophobicContact CE2-CB 4.11Å; F540-A554 HydrophobicContact CZ-CB 4.01Å; F540-P567 HydrophobicContact CB-CG 3.97Å; F540-P567 HydrophobicContact CD1-CG 4.08Å; F540-P567 HydrophobicContact CD2-CG 3.86Å; F540-P567 HydrophobicContact CE2-CG 4.34Å; F540-P567 HydrophobicContact CG-CG 3.7Å |
| 541 | E | 86.4 | Confident | 81.8 | Confident | 88 Ų | 88 | 61.6 Ų | 61.6 | 41% | 0.411 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 136.6 | -173.1 | -172.2 | 171.4 | 112.4 | 0 | 0 | 110.1 | G512 L513 K515 | G512-E541 CarbonylContact C-O 3.56Å; G512-E541 WeakPolarHBondContact CA-O 3.15Å; L513-E541 HydrophobicContact CD1-CB 3.87Å; L513-E541 HydrophobicContact CG-CB 4.38Å; L513-E541 PolarHBondContact N-O 3.18Å; L513-E541 PolarHBondContact O-N 3.47Å; K515-E541 VanDerWaalsContact CE-OE1 3.32Å; K515-E541 WeakPolarHBondContact CE-OE1 3.4Å; K515-E541 VanDerWaalsContact CE-OE2 3.31Å; K515-E541 WeakPolarHBondContact CE-OE2 3.24Å; K515-E541 IonicContact NZ-OE1 3.63Å; K515-E541 PolarHBondContact NZ-OE1 3.39Å; K515-E541 IonicContact NZ-OE2 2.69Å; K515-E541 PolarHBondContact NZ-OE2 2.96Å |
| 542 | C | 88.4 | Confident | 82.5 | Confident | 24 Ų | 24 | 62 Ų | 62 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 152.7 | 178 | -63 | 0 | 0 | 0 | 0 | 111.7 | Y546 L548 C569 | C542-Y546 WeakPolarHBondContact CB-O 3.31Å; C542-L548 WeakPolarHBondContact SG-CA 3.41Å; C542-L548 VanDerWaalsContact SG-CD1 3.5Å; C542-L548 PolarHBondContact SG-N 3.42Å; C542-C569 WeakPolarHBondContact CA-SG 3.23Å; C542-C569 HydrophobicContact CB-CB 3.79Å; C542-C569 WeakPolarHBondContact CB-SG 3Å; C542-C569 VanDerWaalsContact SG-CA 3.55Å; C542-C569 WeakPolarHBondContact SG-CB 3.45Å; C542-C569 CovalentContact SG-SG 2.04Å; C542-C569 PolarHBondContact SG-SG 2.99Å |
| 543 | H | 88.4 | Confident | 83.1 | Confident | 94 Ų | 94 | 68.7 Ų | 68.7 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 157.2 | 170.9 | -63.3 | 76.7 | 0 | 0 | 0 | 110.2 | H511 G512 G545 Y546 | H511-H543 PolarHBondContact O-N 2.9Å; H511-H543 PolarHBondContact O-ND1 2.84Å; G512-H543 PolarHBondContact N-ND1 3.12Å; H543-G545 PolarHBondContact O-N 3.16Å; H543-Y546 PolarHBondContact O-N 2.94Å; H543-Y546 VanDerWaalsContact O-N 3.11Å |
| 544 | R | 81.6 | Confident | 83.7 | Confident | 251 Ų | 251 | 68.1 Ų | 68.1 | 95% | 0.947 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 133.8 | 179.8 | -67.4 | -179 | 177 | 177.6 | -1.5 | 111 | ||
| 545 | G | 76.4 | Confident | 84.4 | Confident | 38 Ų | 38 | 69.2 Ų | 69.2 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | -5.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | H543 Q572 | H543-G545 PolarHBondContact O-N 3.16Å; G545-Q572 WeakPolarHBondContact O-CB 3.34Å; G545-Q572 PolarHBondContact O-N 3.44Å |
| 546 | Y | 86.6 | Confident | 84.7 | Confident | 67 Ų | 67 | 62 Ų | 62 | 26% | 0.263 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144.6 | 179.3 | -61.1 | -103 | 0 | 0 | 0 | 112.1 | H511 C542 H543 V570 L571 | H511-Y546 HydrophobicContact CB-CD1 3.63Å; H511-Y546 HydrophobicContact CB-CD2 3.96Å; H511-Y546 HydrophobicContact CB-CE1 3.7Å; H511-Y546 HydrophobicContact CB-CE2 4.04Å; H511-Y546 HydrophobicContact CB-CG 3.78Å; H511-Y546 AromaticContact CD2-CE1 3.46Å; H511-Y546 VanDerWaalsContact CD2-CE1 3.46Å; H511-Y546 WeakPolarHBondContact CD2-CE1 3.5Å; H511-Y546 AromaticContact CD2-CZ 3.8Å; H511-Y546 AromaticContact CE1-CZ 3.72Å; H511-Y546 PolarHBondContact CE1-OH 2.71Å; H511-Y546 AromaticContact CG-CD1 3.87Å; H511-Y546 AromaticContact CG-CE1 3.37Å; H511-Y546 AromaticContact CG-CE2 3.92Å; H511-Y546 AromaticContact CG-CZ 3.41Å; H511-Y546 VanDerWaalsContact CG-CZ 3.41Å; H511-Y546 AromaticContact ND1-CE1 3.84Å; H511-Y546 AromaticContact ND1-CE2 3.76Å; H511-Y546 AromaticContact ND1-CZ 3.36Å; H511-Y546 PolarHBondContact ND1-OH 3.02Å; H511-Y546 AromaticContact NE2-CE1 3.98Å; H511-Y546 AromaticContact NE2-CZ 3.98Å; C542-Y546 WeakPolarHBondContact CB-O 3.31Å; H543-Y546 PolarHBondContact O-N 2.94Å; H543-Y546 VanDerWaalsContact O-N 3.11Å; Y546-V570 CarbonylContact C-O 3.41Å; Y546-V570 VanDerWaalsContact CA-O 3.22Å; Y546-V570 WeakPolarHBondContact CA-O 2.97Å; Y546-L571 HydrophobicContact CD1-CB 4.41Å; Y546-L571 HydrophobicContact CD1-CD1 4.43Å; Y546-L571 HydrophobicContact CE1-CB 4.26Å; Y546-L571 HydrophobicContact CE1-CD1 4Å; Y546-L571 HydrophobicContact CE2-CD1 4.22Å |
| 547 | V | 80.6 | Confident | 84.7 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 42% | 0.418 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 141.8 | 178.1 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | E549 C569 V570 Q572 | V547-E549 PolarHBondContact O-N 3.01Å; V547-C569 CarbonylContact O-C 3.37Å; V547-C569 WeakPolarHBondContact O-CA 3.04Å; V547-V570 HydrophobicContact CB-CG2 4.39Å; V547-V570 PolarHBondContact N-O 2.87Å; V547-V570 PolarHBondContact O-N 2.89Å; V547-Q572 HydrophobicContact CG2-CB 3.94Å; V547-Q572 HydrophobicContact CG2-CG 3.74Å |
| 548 | L | 84.3 | Confident | 84.1 | Confident | 48 Ų | 48 | 61 Ų | 61 | 25% | 0.251 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 118.7 | 179.3 | -167.1 | 79.9 | 0 | 0 | 0 | 111.4 | F540 C542 A552 P567 R568 | F540-L548 HydrophobicContact CB-CD1 4.1Å; F540-L548 HydrophobicContact CB-CD2 4.23Å; C542-L548 WeakPolarHBondContact SG-CA 3.41Å; C542-L548 VanDerWaalsContact SG-CD1 3.5Å; C542-L548 PolarHBondContact SG-N 3.42Å; L548-A552 HydrophobicContact CD2-CB 4.07Å; L548-P567 HydrophobicContact CD1-CB 3.93Å; L548-P567 HydrophobicContact CD1-CG 4.34Å; L548-P567 HydrophobicContact CG-CB 4.29Å; L548-R568 WeakPolarHBondContact CA-O 3.43Å |
| 549 | E | 81.2 | Confident | 83.6 | Confident | 95 Ų | 95 | 61.8 Ų | 61.8 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 107.7 | 170.9 | -179 | -169.6 | -140.2 | 0 | 0 | 108.9 | V547 P567 R568 V570 | V547-E549 PolarHBondContact O-N 3.01Å; E549-P567 CarbonylContact O-C 3.59Å; E549-P567 WeakPolarHBondContact O-CA 3.39Å; E549-R568 HydrophobicContact CB-CB 4.33Å; E549-R568 PolarHBondContact N-O 3.19Å; E549-R568 PolarHBondContact O-N 3.36Å; E549-R568 VanDerWaalsContact OE2-CD 3.23Å; E549-R568 WeakPolarHBondContact OE2-CD 3.39Å; E549-R568 IonicContact OE2-NH1 3.7Å; E549-V570 HydrophobicContact CB-CG1 4.4Å; E549-V570 HydrophobicContact CB-CG2 4.48Å |
| 550 | G | 81.9 | Confident | 83.3 | Confident | 54 Ų | 54 | 64.8 Ų | 64.8 | 56% | 0.557 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 132.3 | -163 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 551 | P | 82.6 | Confident | 83.2 | Confident | 27 Ų | 27 | 64.3 Ų | 64.3 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | trans | -68.5 | 136.4 | 176.7 | 30 | -36 | 0 | 0 | 0 | 111.2 | F540 P563 V565 | F540-P551 WeakPolarHBondContact CD2-O 3.13Å; P551-P563 HydrophobicContact CB-CG 3.58Å; P551-P563 HydrophobicContact CG-CG 4.04Å; P551-V565 HydrophobicContact CG-CB 4.16Å; P551-V565 HydrophobicContact CG-CG1 4.39Å; P551-V565 WeakPolarHBondContact CG-O 3.42Å | ||
| 552 | A | 86 | Confident | 83 | Confident | 60 Ų | 60 | 64.7 Ų | 64.7 | 50% | 0.496 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -81.6 | -17.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A539 F540 L548 | A539-A552 WeakPolarHBondContact CA-O 3.33Å; F540-A552 PolarHBondContact N-O 2.97Å; L548-A552 HydrophobicContact CD2-CB 4.07Å |
| 553 | R | 88.2 | Confident | 82.5 | Confident | 147 Ų | 147 | 66.6 Ų | 66.6 | 56% | 0.555 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 157.9 | -178.9 | -73.4 | 178.6 | 168.4 | 132.7 | -0.6 | 111.4 | E517 I538 A539 | E517-R553 VanDerWaalsContact CD-NE 3.32Å; E517-R553 IonicContact OE1-CZ 2.65Å; E517-R553 IonicContact OE1-NE 2.7Å; E517-R553 PolarHBondContact OE1-NE 3.39Å; E517-R553 IonicContact OE1-NH2 3.09Å; E517-R553 PolarHBondContact OE1-NH2 2.96Å; E517-R553 IonicContact OE2-CZ 3.41Å; E517-R553 IonicContact OE2-NE 2.66Å; E517-R553 PolarHBondContact OE2-NE 2.91Å; E517-R553 VanDerWaalsContact OE2-NE 3.14Å; E517-R553 IonicContact OE2-NH2 2.73Å; I538-R553 CarbonylContact O-C 3.49Å; I538-R553 WeakPolarHBondContact O-CA 3.36Å; I538-R553 WeakPolarHBondContact O-CB 3.45Å; A539-R553 HydrophobicContact CB-CG 4.2Å |
| 554 | A | 86.2 | Confident | 81.9 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 145 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T537 I538 F540 W561 Q562 | T537-A554 CarbonylContact C-O 3.5Å; T537-A554 WeakPolarHBondContact CA-O 3.39Å; I538-A554 HydrophobicContact CD1-CB 4.26Å; I538-A554 HydrophobicContact CG1-CB 3.96Å; I538-A554 WeakPolarHBondContact CG1-O 3.44Å; I538-A554 PolarHBondContact N-O 2.87Å; I538-A554 PolarHBondContact O-N 2.83Å; F540-A554 HydrophobicContact CE2-CB 4.11Å; F540-A554 HydrophobicContact CZ-CB 4.01Å; A554-W561 HydrophobicContact CB-CE3 4.18Å; A554-Q562 CarbonylContact C-O 3.48Å; A554-Q562 WeakPolarHBondContact CA-O 3.26Å |
| 555 | T | 88.1 | Confident | 81.9 | Confident | 46 Ų | 46 | 59 Ų | 59 | 28% | 0.282 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.7 | -177.9 | -46.9 | 0 | 0 | 0 | 0 | 110.2 | R536 T537 V557 W561 Q562 | R536-T555 CarbonylContact O-C 3.58Å; R536-T555 WeakPolarHBondContact O-CA 3.3Å; T537-T555 HydrophobicContact CG2-CG2 4.01Å; T537-T555 WeakPolarHBondContact CG2-OG1 3.4Å; T555-V557 HydrophobicContact CG2-CG2 4.08Å; T555-V557 PolarHBondContact O-N 3.44Å; T555-W561 WeakPolarHBondContact O-CA 3.25Å; T555-Q562 PolarHBondContact N-O 3.5Å; T555-Q562 PolarHBondContact O-N 2.81Å |
| 556 | C | 84.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 117.7 | 170.1 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | C499 G533 H535 R536 W561 | C499-C556 HydrophobicContact CB-CB 3.88Å; C499-C556 WeakPolarHBondContact CB-SG 3.23Å; C499-C556 PolarHBondContact N-SG 2.64Å; C499-C556 VanDerWaalsContact N-SG 3.39Å; C499-C556 WeakPolarHBondContact SG-CA 3.14Å; C499-C556 WeakPolarHBondContact SG-CB 3.48Å; C499-C556 CovalentContact SG-SG 2.03Å; C499-C556 PolarHBondContact SG-SG 2.91Å; G533-C556 WeakPolarHBondContact O-CB 3.44Å; H535-C556 WeakPolarHBondContact CA-O 3.32Å; H535-C556 PolarHBondContact N-O 2.88Å; R536-C556 PolarHBondContact O-N 2.76Å; C556-W561 HydrophobicContact CB-CE3 4.44Å; C556-W561 HydrophobicContact CB-CH2 4.48Å; C556-W561 HydrophobicContact CB-CZ3 4.18Å |
| 557 | V | 81.1 | Confident | 82.1 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 30% | 0.297 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 122 | -177.5 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | T555 G559 T560 Q562 | T555-V557 HydrophobicContact CG2-CG2 4.08Å; T555-V557 PolarHBondContact O-N 3.44Å; V557-G559 PolarHBondContact O-N 3Å; V557-G559 VanDerWaalsContact O-N 3.14Å; V557-T560 PolarHBondContact N-O 2.76Å; V557-T560 PolarHBondContact O-N 2.94Å; V557-T560 VanDerWaalsContact O-O 3.12Å; V557-T560 PolarHBondContact O-OG1 3.1Å; V557-Q562 HydrophobicContact CB-CG 4.17Å; V557-Q562 HydrophobicContact CG2-CB 4.4Å; V557-Q562 HydrophobicContact CG2-CG 4.48Å |
| 558 | N | 73.1 | Confident | 82.4 | Confident | 94 Ų | 94 | 65 Ų | 65 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 22.6 | -177.3 | -158.4 | 19.5 | 0 | 0 | 0 | 114.5 | K497 E534 | K497-N558 WeakPolarHBondContact CD-O 3.27Å; K497-N558 PolarHBondContact NZ-OD1 3.32Å; E534-N558 VanDerWaalsContact OE1-CA 3.24Å; E534-N558 WeakPolarHBondContact OE1-CA 3.36Å; E534-N558 PolarHBondContact OE1-N 2.72Å; E534-N558 WeakPolarHBondContact OE2-CA 3.19Å; E534-N558 PolarHBondContact OE2-N 2.91Å |
| 559 | G | 74.5 | Confident | 82.6 | Confident | 17 Ų | 17 | 63.4 Ų | 63.4 | 18% | 0.175 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 8.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | E534 V557 | E534-G559 PolarHBondContact OE2-N 2.83Å; V557-G559 PolarHBondContact O-N 3Å; V557-G559 VanDerWaalsContact O-N 3.14Å |
| 560 | T | 82.1 | Confident | 82.7 | Confident | 79 Ų | 79 | 62 Ų | 62 | 49% | 0.485 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 152.2 | 172.2 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | C499 V557 | C499-T560 VanDerWaalsContact SG-C 3.52Å; C499-T560 PolarHBondContact SG-N 3.14Å; C499-T560 VanDerWaalsContact SG-N 3.41Å; C499-T560 PolarHBondContact SG-O 2.87Å; V557-T560 PolarHBondContact N-O 2.76Å; V557-T560 PolarHBondContact O-N 2.94Å; V557-T560 VanDerWaalsContact O-O 3.12Å; V557-T560 PolarHBondContact O-OG1 3.1Å |
| 561 | W | 84.8 | Confident | 82.6 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 1% | 0.011 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 132.1 | 175.2 | -67.9 | 108.2 | 0 | 0 | 0 | 111 | C499 P500 P502 V532 I538 A554 T555 C556 N564 | C499-W561 HydrophobicContact CB-CD2 4.27Å; C499-W561 HydrophobicContact CB-CZ2 3.93Å; P500-W561 PolarHBondContact O-NE1 3.35Å; P502-W561 HydrophobicContact CG-CH2 4.32Å; P502-W561 HydrophobicContact CG-CZ2 3.72Å; V532-W561 HydrophobicContact CB-CH2 3.92Å; V532-W561 HydrophobicContact CB-CZ2 3.97Å; V532-W561 HydrophobicContact CG1-CH2 3.85Å; V532-W561 HydrophobicContact CG1-CZ2 4.42Å; V532-W561 HydrophobicContact CG2-CH2 3.89Å; V532-W561 HydrophobicContact CG2-CZ2 3.78Å; I538-W561 HydrophobicContact CB-CZ3 4.33Å; I538-W561 HydrophobicContact CD1-CD2 4.23Å; I538-W561 HydrophobicContact CD1-CE3 3.96Å; I538-W561 HydrophobicContact CD1-CH2 4.14Å; I538-W561 HydrophobicContact CD1-CZ2 4.42Å; I538-W561 HydrophobicContact CD1-CZ3 3.91Å; I538-W561 HydrophobicContact CG1-CE3 4.05Å; I538-W561 HydrophobicContact CG1-CH2 4.23Å; I538-W561 HydrophobicContact CG1-CZ3 3.73Å; I538-W561 HydrophobicContact CG2-CH2 3.61Å; I538-W561 HydrophobicContact CG2-CZ2 4.47Å; I538-W561 HydrophobicContact CG2-CZ3 3.86Å; A554-W561 HydrophobicContact CB-CE3 4.18Å; T555-W561 WeakPolarHBondContact O-CA 3.25Å; C556-W561 HydrophobicContact CB-CE3 4.44Å; C556-W561 HydrophobicContact CB-CH2 4.48Å; C556-W561 HydrophobicContact CB-CZ3 4.18Å; W561-N564 WeakPolarHBondContact O-CB 3.24Å; W561-N564 PolarHBondContact O-N 2.9Å |
| 562 | Q | 81.8 | Confident | 81.5 | Confident | 95 Ų | 95 | 69.4 Ų | 69.4 | 44% | 0.444 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 126.6 | 177.9 | -62.9 | -169.2 | 14.4 | 0 | 0 | 111.2 | A554 T555 V557 | A554-Q562 CarbonylContact C-O 3.48Å; A554-Q562 WeakPolarHBondContact CA-O 3.26Å; T555-Q562 PolarHBondContact N-O 3.5Å; T555-Q562 PolarHBondContact O-N 2.81Å; V557-Q562 HydrophobicContact CB-CG 4.17Å; V557-Q562 HydrophobicContact CG2-CB 4.4Å; V557-Q562 HydrophobicContact CG2-CG 4.48Å |
| 563 | P | 79.1 | Confident | 79.7 | Confident | 64 Ų | 64 | 71.8 Ų | 71.8 | 42% | 0.416 | 37% | 0.367 | S | S | . | . | S | Bend | cis | -66 | 142.6 | -6.5 | 29 | -35.6 | 0 | 0 | 0 | 112.4 | P551 V565 | P551-P563 HydrophobicContact CB-CG 3.58Å; P551-P563 HydrophobicContact CG-CG 4.04Å; P563-V565 HydrophobicContact CB-CG2 4.32Å; P563-V565 PolarHBondContact O-N 3.4Å |
| 564 | N | 75.5 | Confident | 77.2 | Confident | 106 Ų | 106 | 72.7 Ų | 72.7 | 57% | 0.567 | 38% | 0.377 | S | S | * | . | trans | -85.7 | 57.6 | 177.6 | -164.8 | 30.1 | 0 | 0 | 0 | 111.2 | V505 W561 | V505-N564 WeakPolarHBondContact CG1-OD1 3.36Å; W561-N564 WeakPolarHBondContact O-CB 3.24Å; W561-N564 PolarHBondContact O-N 2.9Å | ||
| 565 | V | 80.9 | Confident | 74.6 | Confident | 81 Ų | 81 | 78.3 Ų | 78.3 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | trans | -132.4 | 130.2 | -171.4 | 178.3 | 0 | 0 | 0 | 0 | 109.7 | P551 P563 P567 | P551-V565 HydrophobicContact CG-CB 4.16Å; P551-V565 HydrophobicContact CG-CG1 4.39Å; P551-V565 WeakPolarHBondContact CG-O 3.42Å; P563-V565 HydrophobicContact CB-CG2 4.32Å; P563-V565 PolarHBondContact O-N 3.4Å; V565-P567 WeakPolarHBondContact O-CD 3.45Å | ||
| 566 | R | 82.2 | Confident | 72 | Confident | 138 Ų | 138 | 81.6 Ų | 81.6 | 52% | 0.521 | 44% | 0.438 | S | S | . | . | trans | -80.3 | 117.2 | 178.8 | -178.5 | -178.3 | -174 | -161.9 | -4.5 | 110.6 | I506 N508 | I506-R566 HydrophobicContact CG2-CB 4.12Å; I506-R566 HydrophobicContact CG2-CG 4.04Å; I506-R566 WeakPolarHBondContact O-CD 3.32Å; I506-R566 VanDerWaalsContact O-CG 3.3Å; I506-R566 WeakPolarHBondContact O-CG 3.39Å; I506-R566 PolarHBondContact O-NE 2.76Å; N508-R566 PolarHBondContact O-NE 2.88Å; N508-R566 PolarHBondContact O-NH2 2.73Å | ||
| 567 | P | 85.3 | Confident | 69.4 | Low | 2 Ų | 2 | 90 Ų | 90 | 1% | 0.013 | 48% | 0.482 | C | S | . | . | trans | -77.5 | 166.9 | 171.3 | 34.2 | -35.3 | 0 | 0 | 0 | 111.5 | I509 F540 L548 E549 V565 | I509-P567 HydrophobicContact CD1-CG 3.86Å; I509-P567 HydrophobicContact CG1-CG 4.48Å; F540-P567 HydrophobicContact CB-CG 3.97Å; F540-P567 HydrophobicContact CD1-CG 4.08Å; F540-P567 HydrophobicContact CD2-CG 3.86Å; F540-P567 HydrophobicContact CE2-CG 4.34Å; F540-P567 HydrophobicContact CG-CG 3.7Å; L548-P567 HydrophobicContact CD1-CB 3.93Å; L548-P567 HydrophobicContact CD1-CG 4.34Å; L548-P567 HydrophobicContact CG-CB 4.29Å; E549-P567 CarbonylContact O-C 3.59Å; E549-P567 WeakPolarHBondContact O-CA 3.39Å; V565-P567 WeakPolarHBondContact O-CD 3.45Å | ||
| 568 | R | 86.9 | Confident | 67 | Low | 160 Ų | 160 | 92.8 Ų | 92.8 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 160.5 | 177.6 | -65.4 | 167.9 | 172.1 | 174.6 | -3.3 | 110.1 | L548 E549 | L548-R568 WeakPolarHBondContact CA-O 3.43Å; E549-R568 HydrophobicContact CB-CB 4.33Å; E549-R568 PolarHBondContact N-O 3.19Å; E549-R568 PolarHBondContact O-N 3.36Å; E549-R568 VanDerWaalsContact OE2-CD 3.23Å; E549-R568 WeakPolarHBondContact OE2-CD 3.39Å; E549-R568 IonicContact OE2-NH1 3.7Å |
| 569 | C | 88.8 | Confident | 64.8 | Low | 13 Ų | 13 | 95.5 Ų | 95.5 | 9% | 0.088 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 114.4 | 169.8 | -68.7 | 0 | 0 | 0 | 0 | 109 | E510 H511 C542 V547 | E510-C569 WeakPolarHBondContact O-CB 3.19Å; H511-C569 HydrophobicContact CB-CB 4Å; H511-C569 PolarHBondContact O-SG 2.82Å; C542-C569 WeakPolarHBondContact CA-SG 3.23Å; C542-C569 HydrophobicContact CB-CB 3.79Å; C542-C569 WeakPolarHBondContact CB-SG 3Å; C542-C569 VanDerWaalsContact SG-CA 3.55Å; C542-C569 WeakPolarHBondContact SG-CB 3.45Å; C542-C569 CovalentContact SG-SG 2.04Å; C542-C569 PolarHBondContact SG-SG 2.99Å; V547-C569 CarbonylContact O-C 3.37Å; V547-C569 WeakPolarHBondContact O-CA 3.04Å |
| 570 | V | 83.7 | Confident | 62.8 | Low | 65 Ų | 65 | 106.7 Ų | 106.7 | 39% | 0.394 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 142.2 | -175 | -64.1 | 0 | 0 | 0 | 0 | 111 | Y546 V547 E549 Q572 | Y546-V570 CarbonylContact C-O 3.41Å; Y546-V570 VanDerWaalsContact CA-O 3.22Å; Y546-V570 WeakPolarHBondContact CA-O 2.97Å; V547-V570 HydrophobicContact CB-CG2 4.39Å; V547-V570 PolarHBondContact N-O 2.87Å; V547-V570 PolarHBondContact O-N 2.89Å; E549-V570 HydrophobicContact CB-CG1 4.4Å; E549-V570 HydrophobicContact CB-CG2 4.48Å; V570-Q572 PolarHBondContact O-N 2.89Å |
| 571 | L | 78.8 | Confident | 60.3 | Low | 109 Ų | 109 | 109.5 Ų | 109.5 | 57% | 0.571 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -63.6 | 133.9 | -177 | -169.5 | 74.2 | 0 | 0 | 0 | 110.9 | Y546 T573 | Y546-L571 HydrophobicContact CD1-CB 4.41Å; Y546-L571 HydrophobicContact CD1-CD1 4.43Å; Y546-L571 HydrophobicContact CE1-CB 4.26Å; Y546-L571 HydrophobicContact CE1-CD1 4Å; Y546-L571 HydrophobicContact CE2-CD1 4.22Å; L571-T573 PolarHBondContact O-N 2.03Å; L571-T573 VanDerWaalsContact O-N 3.1Å |
| 572 | Q | 61.3 | Low | 57.6 | Low | 129 Ų | 129 | 115.6 Ų | 115.6 | 60% | 0.603 | 60% | 0.599 | S | S | * | * | trans | -78.7 | 94.7 | -172.2 | -167.7 | 171.7 | 10.2 | 0 | 0 | 112.6 | G545 V547 V570 | G545-Q572 WeakPolarHBondContact O-CB 3.34Å; G545-Q572 PolarHBondContact O-N 3.44Å; V547-Q572 HydrophobicContact CG2-CB 3.94Å; V547-Q572 HydrophobicContact CG2-CG 3.74Å; V570-Q572 PolarHBondContact O-N 2.89Å | ||
| 573 | T | 47.4 | Very low | 55 | Low | 110 Ų | 110 | 121 Ų | 121 | 68% | 0.675 | 62% | 0.615 | S | S | * | * | trans | -100.7 | 131.5 | 173.7 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | L571 | L571-T573 PolarHBondContact O-N 2.03Å; L571-T573 VanDerWaalsContact O-N 3.1Å | ||
| 574 | H | 34.6 | Very low | 52.5 | Low | 166 Ų | 166 | 125.4 Ų | 125.4 | 77% | 0.769 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 63.8 | 136.6 | -175.2 | -59 | -84.5 | 0 | 0 | 0 | 117.1 | ||
| 575 | P | 32.2 | Very low | 50.4 | Low | 118 Ų | 118 | 125.2 Ų | 125.2 | 77% | 0.766 | 64% | 0.638 | S | S | * | * | trans | -86.9 | 115.3 | 173 | 33.2 | -31 | 0 | 0 | 0 | 111.3 | ||||
| 576 | S | 33.8 | Very low | 47.9 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 81% | 0.811 | 65% | 0.65 | S | S | * | * | trans | -118 | 112.8 | 173.4 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 577 | L | 30.7 | Very low | 45.4 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 92% | 0.921 | 66% | 0.659 | S | S | * | * | trans | -79.7 | 120.7 | 175 | -67.4 | 93.3 | 0 | 0 | 0 | 110.1 | ||||
| 578 | S | 29.2 | Very low | 42.6 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | trans | -156.2 | 98 | 158.2 | -164.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 579 | N | 27.9 | Very low | 39.7 | Very low | 150 Ų | 150 | 137 Ų | 137 | 80% | 0.802 | 71% | 0.706 | S | S | * | * | trans | 26.6 | 97.5 | 145.7 | -61.3 | -18.7 | 0 | 0 | 0 | 118.9 | ||||
| 580 | R | 31.2 | Very low | 36.8 | Very low | 252 Ų | 252 | 146.2 Ų | 146.2 | 95% | 0.951 | 74% | 0.744 | S | S | * | * | trans | -140.9 | 91.7 | 143.7 | -136.9 | 175.7 | -166.4 | 168.9 | 5.5 | 110.2 | ||||
| 581 | I | 31.2 | Very low | 34.2 | Very low | 139 Ų | 139 | 153.5 Ų | 153.5 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | -78.2 | 132.6 | 177.2 | -64.8 | 174.9 | 0 | 0 | 0 | 108.7 | ||||
| 582 | D | 27.3 | Very low | 31.8 | Very low | 131 Ų | 131 | 153.5 Ų | 153.5 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -91.8 | 151.7 | 175.7 | -162.2 | -6.9 | 0 | 0 | 0 | 110.6 | D584 | D582-D584 PolarHBondContact OD1-N 3.44Š| ||
| 583 | W | 27 | Very low | 30.2 | Very low | 207 Ų | 207 | 152.7 Ų | 152.7 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | trans | -145.6 | 49.5 | 179.6 | -85.7 | 114.9 | 0 | 0 | 0 | 112.8 | V585 | W583-V585 VanDerWaalsContact C-N 3.27Å; W583-V585 HydrophobicContact CE3-CG2 3.8Å; W583-V585 HydrophobicContact CZ3-CG2 4.07Å; W583-V585 PolarHBondContact O-N 3.34Å | ||
| 584 | D | 27.2 | Very low | 29.2 | Very low | 157 Ų | 157 | 156 Ų | 156 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | trans | -75.5 | 73.5 | 169.1 | -140.4 | 3.9 | 0 | 0 | 0 | 110.9 | D582 | D582-D584 PolarHBondContact OD1-N 3.44Š| ||
| 585 | V | 30.2 | Very low | 28.9 | Very low | 102 Ų | 102 | 157.5 Ų | 157.5 | 62% | 0.618 | 76% | 0.761 | S | S | * | * | trans | -141.5 | 147.8 | 179.1 | -157.8 | 0 | 0 | 0 | 0 | 112.6 | W583 | W583-V585 VanDerWaalsContact C-N 3.27Å; W583-V585 HydrophobicContact CE3-CG2 3.8Å; W583-V585 HydrophobicContact CZ3-CG2 4.07Å; W583-V585 PolarHBondContact O-N 3.34Å | ||
| 586 | I | 29 | Very low | 28.6 | Very low | 148 Ų | 148 | 161.4 Ų | 161.4 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 77.7 | 70.3 | 173 | -40.8 | -176.1 | 0 | 0 | 0 | 116.8 | ||||
| 587 | V | 29 | Very low | 28.6 | Very low | 117 Ų | 117 | 160.8 Ų | 160.8 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | 31.1 | 109.3 | 108.9 | -174.2 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 588 | R | 26.5 | Very low | 28.4 | Very low | 224 Ų | 224 | 159.8 Ų | 159.8 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | 58.6 | 137.9 | 146.6 | -65.2 | 178 | 173.4 | 153.3 | -1.8 | 121.6 | ||||
| 589 | D | 26.4 | Very low | 28.3 | Very low | 141 Ų | 141 | 162.8 Ų | 162.8 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | 53.4 | 102.6 | 152.8 | -80.5 | -54 | 0 | 0 | 0 | 120.4 | ||||
| 590 | K | 28.6 | Very low | 28.3 | Very low | 205 Ų | 205 | 161.3 Ų | 161.3 | 89% | 0.891 | 75% | 0.751 | S | S | * | * | -170.2 | 139.4 | 111.7 | -94.5 | 140.5 | -164.5 | 163.4 | 0 | 112.5 | |||||
| 591 | R | 30 | Very low | 28.1 | Very low | 218 Ų | 218 | 155.7 Ų | 155.7 | 82% | 0.823 | 74% | 0.739 | S | S | * | * | trans | -83.3 | 132.6 | 163.6 | -54.6 | 169.3 | 179.8 | 163.2 | -0.5 | 108.3 | ||||
| 592 | H | 28.1 | Very low | 27.9 | Very low | 109 Ų | 109 | 159.9 Ų | 159.9 | 51% | 0.505 | 75% | 0.746 | S | S | . | * | trans | -178.9 | 144.9 | 153 | -103.1 | -61.7 | 0 | 0 | 0 | 114.8 | L1320 | H592-L1320 WeakPolarHBondContact NE2-CD1 3.48Å; H592-L1320 WeakPolarHBondContact NE2-CD2 3.38Å | ||
| 593 | L | 26.5 | Very low | 28 | Very low | 112 Ų | 112 | 161.1 Ų | 161.1 | 59% | 0.586 | 75% | 0.747 | S | S | * | * | trans | 49.3 | 138.2 | 137.5 | -72.5 | 167.6 | 0 | 0 | 0 | 121.1 | I1318 | L593-I1318 HydrophobicContact CD1-CD1 4.45Å; L593-I1318 HydrophobicContact CD2-CD1 3.87Å; L593-I1318 HydrophobicContact CG-CD1 4.41Å | ||
| 594 | Y | 26.6 | Very low | 28 | Very low | 179 Ų | 179 | 155.5 Ų | 155.5 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | 51.8 | 100.8 | 55.1 | -91.6 | -58.6 | 0 | 0 | 0 | 113.7 | |||||
| 595 | W | 28.1 | Very low | 28 | Very low | 199 Ų | 199 | 156.4 Ų | 156.4 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | cis | -158.5 | 162.5 | 31.8 | -69.3 | 77 | 0 | 0 | 0 | 108.6 | ||||
| 596 | K | 26.4 | Very low | 28 | Very low | 200 Ų | 200 | 160.2 Ų | 160.2 | 87% | 0.87 | 75% | 0.75 | S | S | * | * | -178.1 | 175 | 84.7 | -100.6 | -164.7 | 178.2 | -179.8 | 0 | 111.4 | |||||
| 597 | P | 33.8 | Very low | 28.1 | Very low | 103 Ų | 103 | 161.3 Ų | 161.3 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | trans | -105.6 | -171.1 | -152.3 | 41.7 | -38 | 0 | 0 | 0 | 116.9 | ||||
| 598 | I | 26.9 | Very low | 28.1 | Very low | 154 Ų | 154 | 165.1 Ų | 165.1 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | 93 | 133.1 | 172.3 | -57.2 | 157.3 | 0 | 0 | 0 | 113.3 | ||||
| 599 | Q | 26 | Very low | 28.2 | Very low | 172 Ų | 172 | 163.2 Ų | 163.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | cis | -160.7 | -173.7 | -19.7 | -110 | -173.7 | -10.2 | 0 | 0 | 108.9 | ||||
| 600 | V | 28.3 | Very low | 28.3 | Very low | 118 Ų | 118 | 160.3 Ų | 160.3 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | trans | 84.5 | 83.7 | 160 | -163 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 601 | I | 27.1 | Very low | 28.4 | Very low | 135 Ų | 135 | 160 Ų | 160 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | 57.4 | 122.6 | 112.7 | -60.4 | 162.9 | 0 | 0 | 0 | 122.1 | |||||
| 602 | R | 26.5 | Very low | 28.4 | Very low | 226 Ų | 226 | 156 Ų | 156 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | 67.6 | 159.7 | 155.6 | -74.5 | 171.3 | -173.5 | 167.2 | 0.2 | 118 | ||||
| 603 | H | 28.9 | Very low | 28.4 | Very low | 157 Ų | 157 | 159.5 Ų | 159.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -145.4 | -170.7 | -2.6 | -147.9 | 14.5 | 0 | 0 | 0 | 112.9 | ||||
| 604 | S | 29 | Very low | 28.6 | Very low | 89 Ų | 89 | 157.8 Ų | 157.8 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | trans | 53.4 | 133.9 | 166 | 45.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 605 | Q | 27 | Very low | 28.8 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | cis | 52.6 | 98 | 8.6 | -68.3 | -174.8 | -61.6 | 0 | 0 | 115.4 | ||||
| 606 | E | 29.4 | Very low | 28.8 | Very low | 182 Ų | 182 | 152 Ų | 152 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -179.1 | -10.2 | 142 | -103 | 152.9 | -155.5 | 0 | 0 | 117 | ||||
| 607 | I | 31.8 | Very low | 28.9 | Very low | 170 Ų | 170 | 149 Ų | 149 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -110.8 | 54.3 | -179.1 | -38.4 | -178.1 | 0 | 0 | 0 | 113.1 | ||
| 608 | Q | 29.1 | Very low | 28.5 | Very low | 198 Ų | 198 | 152.9 Ų | 152.9 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -152.9 | 33.8 | 162.2 | -125.6 | 168.4 | 16.5 | 0 | 0 | 113.8 | ||
| 609 | Q | 27 | Very low | 28.7 | Very low | 183 Ų | 183 | 152 Ų | 152 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | trans | -97.4 | 168.5 | 152.5 | -71.5 | -172.5 | -4.2 | 0 | 0 | 109.5 | ||||
| 610 | A | 28.9 | Very low | 28.8 | Very low | 80 Ų | 80 | 151 Ų | 151 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | trans | 72.3 | 139.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 611 | F | 32.1 | Very low | 28.8 | Very low | 198 Ų | 198 | 149.9 Ų | 149.9 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | trans | 56.3 | 87.3 | 174 | -53.7 | -75 | 0 | 0 | 0 | 116 | ||||
| 612 | E | 28.1 | Very low | 28.9 | Very low | 135 Ų | 135 | 150.7 Ų | 150.7 | 63% | 0.631 | 76% | 0.76 | S | S | * | * | cis | 59.7 | 81.1 | 14.3 | -152.4 | -156.4 | -95.1 | 0 | 0 | 115.5 | ||||
| 613 | K | 30.1 | Very low | 29 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | 163 | 106.5 | 128.4 | -87.9 | 151.1 | 178.9 | 130.6 | 0 | 115.1 | |||||
| 614 | G | 29.1 | Very low | 29 | Very low | 75 Ų | 75 | 148.1 Ų | 148.1 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 69.6 | 177.1 | 139.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 615 | S | 30.8 | Very low | 29.1 | Very low | 103 Ų | 103 | 152.1 Ų | 152.1 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | cis | -174.1 | 115.4 | -24.1 | 38.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 616 | I | 28.8 | Very low | 29.2 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | 69.6 | 154.9 | 141.2 | -35.9 | 155.4 | 0 | 0 | 0 | 119.3 | ||||
| 617 | L | 27.6 | Very low | 29.4 | Very low | 137 Ų | 137 | 148.1 Ų | 148.1 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | trans | 79.5 | 147.1 | 167.5 | -48.8 | 179 | 0 | 0 | 0 | 116.3 | ||||
| 618 | R | 26.4 | Very low | 29.5 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 69% | 0.694 | 71% | 0.712 | S | S | * | * | cis | -160.1 | 164.8 | -4.8 | -124.8 | 175.4 | 166.6 | 152.5 | 4.4 | 112.5 | ||||
| 619 | E | 31.3 | Very low | 29.8 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 63% | 0.631 | 69% | 0.69 | S | S | * | * | trans | 40.3 | 129.8 | 149.8 | -79.6 | 126.6 | -140.4 | 0 | 0 | 122.4 | ||||
| 620 | N | 27.5 | Very low | 30.2 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | 67 | 139.5 | 81.2 | -71.6 | -31.6 | 0 | 0 | 0 | 115.6 | |||||
| 621 | S | 29.3 | Very low | 30.4 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | cis | -171.2 | 167.2 | -4.3 | 60 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 622 | F | 28.4 | Very low | 30.5 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 67% | 0.671 | 68% | 0.682 | S | S | * | * | trans | 68.6 | 164.1 | 156.3 | -80.3 | -163.3 | 0 | 0 | 0 | 118.9 | R481 | R481-F622 VanDerWaalsContact NH2-CE2 3.26Š| ||
| 623 | K | 29.2 | Very low | 30.6 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 68% | 0.683 | 68% | 0.684 | S | S | * | * | cis | -156.9 | 147.5 | 3 | -131 | 165 | -174.8 | 171.1 | 0 | 113.5 | ||||
| 624 | R | 28.5 | Very low | 30.7 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 65% | 0.649 | 68% | 0.683 | S | S | * | * | trans | 13.3 | 139.2 | 153.3 | -70.2 | 173.9 | 164.7 | 161 | -5.4 | 121.4 | ||||
| 625 | K | 31 | Very low | 30.8 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | -159.9 | -171.4 | 73.1 | -77.8 | 176.4 | 178.7 | 177.5 | 0 | 109.9 | G489 I490 | G489-K625 WeakPolarHBondContact CA-O 3.12Å; I490-K625 PolarHBondContact N-O 3.22Å | |||
| 626 | R | 29.2 | Very low | 30.8 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 62% | 0.623 | 68% | 0.676 | S | S | * | * | -173.3 | 173 | -51.8 | -166.8 | -142 | 165.7 | 171.1 | 1.1 | 106.1 | K488 D628 | K488-R626 HydrophobicContact CB-CG 4.48Å; K488-R626 HydrophobicContact CD-CG 4.39Å; R626-D628 IonicContact NE-OD2 2.76Å | |||
| 627 | V | 33.3 | Very low | 30.9 | Very low | 109 Ų | 109 | 137 Ų | 137 | 66% | 0.661 | 67% | 0.674 | S | S | * | * | trans | 84.5 | 144 | 170.2 | -167.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 628 | D | 33.3 | Very low | 31.2 | Very low | 71 Ų | 71 | 139.6 Ų | 139.6 | 38% | 0.38 | 68% | 0.68 | S | S | . | * | cis | 151.9 | 151.2 | -40.2 | -67 | 2.6 | 0 | 0 | 0 | 107.3 | K488 R626 | K488-D628 WeakPolarHBondContact CD-OD1 3.45Å; K488-D628 IonicContact NZ-OD1 2.61Å; K488-D628 PolarHBondContact NZ-OD1 3.27Å; K488-D628 IonicContact NZ-OD2 3.83Å; K488-D628 PolarHBondContact NZ-OD2 3.07Å; R626-D628 IonicContact NE-OD2 2.76Å | ||
| 629 | N | 36.6 | Very low | 31.5 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 48% | 0.476 | 68% | 0.68 | S | S | . | * | cis | -165.8 | 171.7 | 4.9 | -126.2 | 77.5 | 0 | 0 | 0 | 112.1 | E486 | E486-N629 PolarHBondContact OE2-OD1 3.39Š| ||
| 630 | D | 35.6 | Very low | 31.5 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | trans | 62.3 | 156 | 151.5 | -60.3 | -36.7 | 0 | 0 | 0 | 127 | ||||
| 631 | V | 33.4 | Very low | 31.7 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 67% | 0.673 | 69% | 0.687 | S | S | * | * | cis | -175.2 | 153.5 | -42.4 | 125.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 632 | H | 33.4 | Very low | 31.9 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 84% | 0.838 | 70% | 0.695 | S | S | * | * | trans | 67.5 | 165.2 | 161.2 | -83.2 | -35.9 | 0 | 0 | 0 | 122.7 | ||||
| 633 | S | 30.3 | Very low | 32.2 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 66% | 0.657 | 70% | 0.702 | S | S | * | * | cis | -166.2 | 142.2 | 1.7 | 139.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 634 | L | 32.5 | Very low | 32.5 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | trans | 57.8 | 115.9 | 136.9 | -56.6 | 172.5 | 0 | 0 | 0 | 130.3 | ||||
| 635 | S | 30.3 | Very low | 32.7 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | 57.6 | 166.8 | 115 | 87.6 | 0 | 0 | 0 | 0 | 129 | |||||
| 636 | N | 30.8 | Very low | 32.7 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | trans | 83.9 | 149.9 | 165.4 | -71.4 | -30.9 | 0 | 0 | 0 | 119.7 | ||||
| 637 | R | 31.9 | Very low | 32.8 | Very low | 195 Ų | 195 | 128.8 Ų | 128.8 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | cis | -154.9 | 164.7 | -5.3 | -98.1 | 159.5 | -167.3 | -166.7 | 4.4 | 108.5 | ||||
| 638 | F | 32.9 | Very low | 32.5 | Very low | 191 Ų | 191 | 131.9 Ų | 131.9 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | 173.1 | 172.2 | 84.1 | -107.7 | -80.7 | 0 | 0 | 0 | 112.1 | |||||
| 639 | A | 32 | Very low | 32.4 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | trans | -158.3 | 169.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 640 | I | 33.2 | Very low | 32.1 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | 179.4 | 131.1 | 156.9 | -101.7 | 153.3 | 0 | 0 | 0 | 115.8 | ||||
| 641 | L | 30.8 | Very low | 31.8 | Very low | 152 Ų | 152 | 138 Ų | 138 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | 46.6 | 160.4 | 148.5 | -52.2 | 176.7 | 0 | 0 | 0 | 122.7 | ||||
| 642 | T | 34.1 | Very low | 31.6 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | cis | -148.6 | -168.2 | 11.6 | -20.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 643 | D | 33.1 | Very low | 31.4 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -115.6 | -164.5 | -152 | -138.4 | 9.3 | 0 | 0 | 0 | 116 | ||||
| 644 | P | 36.5 | Very low | 31.3 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | -132.3 | 179.9 | -129.5 | 41.5 | -20 | 0 | 0 | 0 | 118.6 | |||||
| 645 | G | 33.4 | Very low | 31.1 | Very low | 76 Ų | 76 | 142.1 Ų | 142.1 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | 165.3 | 118.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 646 | N | 30.3 | Very low | 31 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | 59.1 | 127.2 | 149 | -95.1 | 2.8 | 0 | 0 | 0 | 125.8 | ||||
| 647 | V | 30.8 | Very low | 31.2 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 80.9 | 149.3 | 139.9 | 180 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 648 | E | 28.1 | Very low | 31.7 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -75.9 | 156.2 | -164.8 | -54.1 | 162 | 107 | 0 | 0 | 115.4 | ||||
| 649 | L | 31.3 | Very low | 32.6 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | -173.1 | 142.6 | 129.7 | -97.1 | 156.1 | 0 | 0 | 0 | 113.4 | |||||
| 650 | E | 30.2 | Very low | 34.2 | Very low | 154 Ų | 154 | 127 Ų | 127 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | trans | 58.4 | 111 | 151.4 | -64.2 | -140.4 | 99 | 0 | 0 | 125.5 | ||||
| 651 | N | 29.3 | Very low | 36.4 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 55% | 0.545 | 68% | 0.679 | S | S | . | * | 65.3 | 114.8 | 119.4 | -79.5 | -52.9 | 0 | 0 | 0 | 123.5 | |||||
| 652 | K | 28.5 | Very low | 38.8 | Very low | 171 Ų | 171 | 116.1 Ų | 116.1 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | trans | 64.3 | 109.6 | 130.7 | -61.4 | 164.5 | -176.9 | 154 | 0 | 119.3 | ||||
| 653 | L | 28.6 | Very low | 41 | Very low | 128 Ų | 128 | 109.9 Ų | 109.9 | 67% | 0.67 | 63% | 0.626 | S | S | * | * | -179.5 | 127.1 | 98.8 | -89.6 | 160.8 | 0 | 0 | 0 | 110.7 | |||||
| 654 | W | 29.5 | Very low | 42.9 | Very low | 226 Ų | 226 | 104.6 Ų | 104.6 | 86% | 0.856 | 60% | 0.6 | S | S | * | * | trans | 39.6 | 88.9 | 163.8 | -45.8 | -52.8 | 0 | 0 | 0 | 116.9 | ||||
| 655 | A | 27.1 | Very low | 44.4 | Very low | 97 Ų | 97 | 104.7 Ų | 104.7 | 80% | 0.802 | 60% | 0.599 | S | S | * | * | cis | 55.7 | 129.6 | 38.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 656 | S | 28 | Very low | 46 | Very low | 114 Ų | 114 | 104 Ų | 104 | 80% | 0.797 | 57% | 0.572 | S | S | * | * | cis | -112.4 | 112.2 | 11.1 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 657 | S | 34.6 | Very low | 47.4 | Very low | 113 Ų | 113 | 100.1 Ų | 100.1 | 79% | 0.79 | 56% | 0.563 | S | S | * | * | trans | -71.6 | 124.9 | 151.1 | 43 | 0 | 0 | 0 | 0 | 108 | S659 | S657-S659 PolarHBondContact O-N 2.89Å; S657-S659 VanDerWaalsContact O-N 3.13Å | ||
| 658 | S | 43.3 | Very low | 49.4 | Very low | 73 Ų | 73 | 97.7 Ų | 97.7 | 51% | 0.51 | 55% | 0.546 | S | S | . | . | trans | -69.8 | 111.1 | -179.7 | 39.4 | 0 | 0 | 0 | 0 | 110.2 | A660 E683 | S658-A660 PolarHBondContact O-N 2.04Å; S658-A660 VanDerWaalsContact O-N 3.09Å; S658-E683 PolarHBondContact OG-OE2 2.84Å | ||
| 659 | S | 52.9 | Low | 51.7 | Low | 57 Ų | 57 | 89.6 Ų | 89.6 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | trans | -76.2 | 20.5 | 165.3 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | S657 D686 G711 | S657-S659 PolarHBondContact O-N 2.89Å; S657-S659 VanDerWaalsContact O-N 3.13Å; S659-D686 WeakPolarHBondContact CB-OD2 3.41Å; S659-D686 WeakPolarHBondContact O-CB 3.23Å; S659-D686 WeakPolarHBondContact OG-CB 3.22Å; S659-D686 PolarHBondContact OG-OD2 3.32Å; S659-G711 WeakPolarHBondContact O-CA 3.46Å; S659-G711 PolarHBondContact O-N 2.99Å | ||
| 660 | A | 64.3 | Low | 53.9 | Low | 19 Ų | 19 | 84.6 Ų | 84.6 | 16% | 0.157 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 142.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S658 E683 V684 | S658-A660 PolarHBondContact O-N 2.04Å; S658-A660 VanDerWaalsContact O-N 3.09Å; A660-E683 HydrophobicContact CB-CB 3.96Å; A660-V684 CarbonylContact C-O 3.57Å; A660-V684 WeakPolarHBondContact CA-O 3.04Å; A660-V684 VanDerWaalsContact CB-O 3.25Å; A660-V684 WeakPolarHBondContact CB-O 3.38Å |
| 661 | C | 79.1 | Confident | 56.5 | Low | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.007 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 123.1 | -176.2 | -53.2 | 0 | 0 | 0 | 0 | 110.2 | V684 C708 T712 W713 | C661-V684 PolarHBondContact N-O 2.7Å; C661-V684 WeakPolarHBondContact O-CB 3.38Å; C661-V684 PolarHBondContact O-N 2.88Å; C661-C708 HydrophobicContact CB-CB 3.76Å; C661-C708 WeakPolarHBondContact CB-SG 2.95Å; C661-C708 PolarHBondContact N-SG 2.89Å; C661-C708 WeakPolarHBondContact SG-CA 2.45Å; C661-C708 WeakPolarHBondContact SG-CB 3.5Å; C661-C708 CovalentContact SG-SG 2.03Å; C661-C708 PolarHBondContact SG-SG 2.95Å; C661-T712 PolarHBondContact SG-N 3.13Å; C661-T712 VanDerWaalsContact SG-N 3.4Å; C661-T712 PolarHBondContact SG-O 2.96Å; C661-W713 HydrophobicContact CB-CD2 3.9Å; C661-W713 VanDerWaalsContact CB-CE2 3.45Å; C661-W713 HydrophobicContact CB-CE3 4.22Å; C661-W713 HydrophobicContact CB-CH2 3.74Å; C661-W713 HydrophobicContact CB-CZ2 3.37Å; C661-W713 HydrophobicContact CB-CZ3 4.15Å |
| 662 | T | 82.2 | Confident | 58.9 | Low | 80 Ų | 80 | 73.3 Ų | 73.3 | 49% | 0.491 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 132.1 | 176.3 | -38.8 | 0 | 0 | 0 | 0 | 111 | P664 W713 | T662-P664 WeakPolarHBondContact O-CD 3.48Å; T662-W713 PolarHBondContact O-NE1 2.94Å |
| 663 | L | 79.4 | Confident | 61.3 | Low | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.016 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -71 | 119.8 | 176.9 | -72.8 | 171.8 | 0 | 0 | 0 | 112 | F671 V678 G681 E682 V684 V690 W713 | L663-F671 HydrophobicContact CD1-CB 4.14Å; L663-F671 HydrophobicContact CD2-CB 4.04Å; L663-F671 HydrophobicContact CD2-CD1 3.89Å; L663-F671 HydrophobicContact CD2-CD2 4.34Å; L663-F671 HydrophobicContact CD2-CE1 4.44Å; L663-F671 HydrophobicContact CD2-CG 3.82Å; L663-V678 HydrophobicContact CD1-CB 3.69Å; L663-V678 HydrophobicContact CD1-CG1 3.37Å; L663-G681 PolarHBondContact O-N 2.93Å; L663-E682 PolarHBondContact N-O 2.66Å; L663-V684 HydrophobicContact CD1-CG2 3.82Å; L663-V684 HydrophobicContact CD2-CG2 3.93Å; L663-V684 HydrophobicContact CG-CG2 3.64Å; L663-V690 HydrophobicContact CD2-CG1 3.88Å; L663-V690 HydrophobicContact CD2-CG2 4.41Å; L663-W713 HydrophobicContact CD2-CH2 3.83Å; L663-W713 HydrophobicContact CD2-CZ2 3.72Å; L663-W713 HydrophobicContact CG-CZ2 4.39Å |
| 664 | P | 74.4 | Confident | 63.3 | Low | 41 Ų | 41 | 65 Ų | 65 | 27% | 0.266 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 137.9 | -176 | 29.1 | -34 | 0 | 0 | 0 | 111.7 | T662 R666 F671 F717 | T662-P664 WeakPolarHBondContact O-CD 3.48Å; P664-R666 PolarHBondContact O-N 2.78Å; P664-F671 HydrophobicContact CG-CZ 4.01Å; P664-F671 WeakPolarHBondContact O-CE2 3.46Å; P664-F717 HydrophobicContact CG-CD2 4.1Å; P664-F717 HydrophobicContact CG-CE2 4.3Å |
| 665 | T | 67.1 | Low | 64.8 | Low | 118 Ų | 118 | 62 Ų | 62 | 72% | 0.724 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 116.4 | 170.3 | 38.7 | 0 | 0 | 0 | 0 | 110.4 | Y680 | T665-Y680 HydrophobicContact CG2-CD2 4.48Å; T665-Y680 HydrophobicContact CG2-CG 4.01Å |
| 666 | R | 67.4 | Low | 66 | Low | 60 Ų | 60 | 64.3 Ų | 64.3 | 23% | 0.226 | 40% | 0.396 | C | S | . | . | trans | -131.6 | 118.5 | 178.9 | -74.1 | -171 | 179.6 | -137.2 | 3.2 | 111.1 | P664 S669 F717 G718 | P664-R666 PolarHBondContact O-N 2.78Å; R666-S669 WeakPolarHBondContact CB-OG 3.42Å; R666-S669 PolarHBondContact O-N 2.85Å; R666-S669 PolarHBondContact O-OG 3.04Å; R666-F717 PolarHBondContact NH1-O 3.09Å; R666-F717 PolarHBondContact NH2-O 2.76Å; R666-G718 VanDerWaalsContact NH1-C 3.3Å; R666-G718 PolarHBondContact NH1-O 3.39Å | ||
| 667 | A | 60 | Low | 67.9 | Low | 79 Ų | 79 | 64.2 Ų | 64.2 | 65% | 0.653 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 143 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | S669 | A667-S669 PolarHBondContact O-N 3.06Š|
| 668 | N | 72 | Confident | 69.7 | Low | 77 Ų | 77 | 60.1 Ų | 60.1 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 35.5 | 176.4 | -51 | -41 | 0 | 0 | 0 | 113.9 | S695 H698 C720 | N668-S695 VanDerWaalsContact C-OG 3.25Å; N668-S695 WeakPolarHBondContact O-CB 3.45Å; N668-S695 PolarHBondContact O-N 2.97Å; N668-S695 PolarHBondContact O-OG 3.48Å; N668-H698 HydrophobicContact CB-CB 4.49Å; N668-H698 PolarHBondContact ND2-NE2 2.8Å; N668-C720 VanDerWaalsContact O-CB 3.28Å; N668-C720 WeakPolarHBondContact O-CB 3.38Å; N668-C720 PolarHBondContact O-SG 2.86Å |
| 669 | S | 75.7 | Confident | 70.8 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 173.3 | 176.8 | 75.5 | 0 | 0 | 0 | 0 | 111.7 | R666 A667 Y680 H693 C720 | R666-S669 WeakPolarHBondContact CB-OG 3.42Å; R666-S669 PolarHBondContact O-N 2.85Å; R666-S669 PolarHBondContact O-OG 3.04Å; A667-S669 PolarHBondContact O-N 3.06Å; S669-Y680 PolarHBondContact O-OH 2.87Å; S669-H693 CarbonylContact C-O 3.52Å; S669-H693 WeakPolarHBondContact CA-O 3.43Å; S669-C720 VanDerWaalsContact CB-SG 3.51Å |
| 670 | F | 78.7 | Confident | 71.7 | Confident | 60 Ų | 60 | 62.9 Ų | 62.9 | 26% | 0.263 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 158.8 | 165.9 | 58.7 | -83.9 | 0 | 0 | 0 | 109.8 | V672 I677 H693 | F670-V672 HydrophobicContact CD2-CG2 3.92Å; F670-V672 HydrophobicContact CE2-CG2 3.87Å; F670-I677 HydrophobicContact CB-CG2 4.39Å; F670-I677 HydrophobicContact CD2-CD1 4.31Å; F670-I677 HydrophobicContact CD2-CG1 4.19Å; F670-I677 HydrophobicContact CD2-CG2 4.13Å; F670-I677 HydrophobicContact CE2-CD1 4.29Å; F670-I677 HydrophobicContact CE2-CG1 4.34Å; F670-H693 HydrophobicContact CD1-CB 4.21Å; F670-H693 HydrophobicContact CD2-CB 4.12Å; F670-H693 HydrophobicContact CE1-CB 3.73Å; F670-H693 HydrophobicContact CE2-CB 3.65Å; F670-H693 HydrophobicContact CG-CB 4.39Å; F670-H693 HydrophobicContact CZ-CB 3.43Å; F670-H693 VanDerWaalsContact CZ-CB 3.43Å; F670-H693 PolarHBondContact N-O 3.28Å; F670-H693 PolarHBondContact O-N 2.9Å |
| 671 | F | 83.5 | Confident | 71.9 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 147 | -176.9 | -64.5 | -86 | 0 | 0 | 0 | 111.3 | L663 P664 I677 V678 Y680 V690 K691 I692 F717 | L663-F671 HydrophobicContact CD1-CB 4.14Å; L663-F671 HydrophobicContact CD2-CB 4.04Å; L663-F671 HydrophobicContact CD2-CD1 3.89Å; L663-F671 HydrophobicContact CD2-CD2 4.34Å; L663-F671 HydrophobicContact CD2-CE1 4.44Å; L663-F671 HydrophobicContact CD2-CG 3.82Å; P664-F671 HydrophobicContact CG-CZ 4.01Å; P664-F671 WeakPolarHBondContact O-CE2 3.46Å; F671-I677 WeakPolarHBondContact O-CA 3.32Å; F671-V678 PolarHBondContact O-N 3.01Å; F671-Y680 HydrophobicContact CD2-CD1 4.12Å; F671-Y680 HydrophobicContact CD2-CE1 4.36Å; F671-Y680 AromaticContact CE2-CD1 3.93Å; F671-Y680 HydrophobicContact CE2-CD1 3.93Å; F671-Y680 HydrophobicContact CE2-CE1 4.15Å; F671-V690 HydrophobicContact CB-CG1 3.87Å; F671-V690 HydrophobicContact CD1-CG1 3.83Å; F671-V690 HydrophobicContact CG-CG1 4.3Å; F671-K691 CarbonylContact C-O 3.46Å; F671-K691 VanDerWaalsContact CA-O 3.3Å; F671-K691 WeakPolarHBondContact CA-O 3.42Å; F671-I692 HydrophobicContact CD1-CB 4.01Å; F671-I692 HydrophobicContact CD1-CG1 4.22Å; F671-I692 HydrophobicContact CE1-CB 3.8Å; F671-I692 HydrophobicContact CE1-CD1 3.81Å; F671-I692 HydrophobicContact CE1-CG1 3.82Å; F671-I692 HydrophobicContact CZ-CD1 3.8Å; F671-I692 HydrophobicContact CZ-CG1 4.13Å; F671-F717 HydrophobicContact CD1-CD1 4.5Å; F671-F717 HydrophobicContact CD1-CE1 4.01Å; F671-F717 HydrophobicContact CD1-CE2 4.49Å; F671-F717 HydrophobicContact CD1-CZ 4.01Å; F671-F717 AromaticContact CE1-CD1 3.88Å; F671-F717 HydrophobicContact CE1-CD1 3.88Å; F671-F717 AromaticContact CE1-CD2 3.92Å; F671-F717 HydrophobicContact CE1-CD2 3.92Å; F671-F717 AromaticContact CE1-CE1 3.76Å; F671-F717 HydrophobicContact CE1-CE1 3.76Å; F671-F717 AromaticContact CE1-CE2 3.81Å; F671-F717 HydrophobicContact CE1-CE2 3.81Å; F671-F717 AromaticContact CE1-CG 3.96Å; F671-F717 HydrophobicContact CE1-CG 3.96Å; F671-F717 AromaticContact CE1-CZ 3.73Å; F671-F717 HydrophobicContact CE1-CZ 3.73Å |
| 672 | V | 81.8 | Confident | 71.7 | Confident | 19 Ų | 19 | 68.5 Ų | 68.5 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 133.5 | -177.7 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | F670 Q676 I677 K691 | F670-V672 HydrophobicContact CD2-CG2 3.92Å; F670-V672 HydrophobicContact CE2-CG2 3.87Å; V672-Q676 VanDerWaalsContact CA-O 3.29Å; V672-Q676 WeakPolarHBondContact CA-O 3.37Å; V672-I677 HydrophobicContact CG2-CG1 4.41Å; V672-K691 HydrophobicContact CB-CB 4.5Å; V672-K691 PolarHBondContact N-O 2.86Å; V672-K691 PolarHBondContact O-N 3.29Å |
| 673 | I | 78.4 | Confident | 71.5 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 19% | 0.185 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 125.7 | 173.3 | -60.7 | 179.6 | 0 | 0 | 0 | 107.6 | D675 Q676 V678 V684 T688 V690 | I673-D675 VanDerWaalsContact C-N 3.28Å; I673-D675 PolarHBondContact O-N 3.18Å; I673-Q676 PolarHBondContact N-O 3.42Å; I673-Q676 PolarHBondContact O-N 2.96Å; I673-V678 HydrophobicContact CB-CG2 3.88Å; I673-V678 HydrophobicContact CD1-CG2 3.88Å; I673-V678 HydrophobicContact CG1-CG2 3.71Å; I673-V684 HydrophobicContact CD1-CB 4.28Å; I673-V684 HydrophobicContact CD1-CG1 3.7Å; I673-V684 HydrophobicContact CD1-CG2 3.59Å; I673-T688 HydrophobicContact CD1-CG2 4.02Å; I673-T688 HydrophobicContact CG1-CG2 4.43Å; I673-T688 HydrophobicContact CG2-CG2 3.65Å; I673-V690 HydrophobicContact CD1-CG1 4.46Å; I673-V690 HydrophobicContact CD1-CG2 3.65Å; I673-V690 HydrophobicContact CG1-CB 4.23Å; I673-V690 HydrophobicContact CG1-CG1 4Å; I673-V690 HydrophobicContact CG1-CG2 3.78Å |
| 674 | A | 70.2 | Confident | 71.5 | Confident | 89 Ų | 89 | 70.2 Ų | 70.2 | 74% | 0.736 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.6 | 51.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q676 | A674-Q676 PolarHBondContact O-N 3.36Å; A674-Q676 VanDerWaalsContact O-N 3.13Å |
| 675 | D | 60.9 | Low | 71.7 | Confident | 162 Ų | 162 | 72.3 Ų | 72.3 | 87% | 0.866 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 14.1 | -177.2 | -55.5 | -28.3 | 0 | 0 | 0 | 116.3 | I673 | I673-D675 VanDerWaalsContact C-N 3.28Å; I673-D675 PolarHBondContact O-N 3.18Å |
| 676 | Q | 53.1 | Low | 72.3 | Confident | 146 Ų | 146 | 69.4 Ų | 69.4 | 68% | 0.682 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 135.7 | 171.4 | -57.8 | -169.9 | 20.1 | 0 | 0 | 111.3 | V672 I673 A674 | V672-Q676 VanDerWaalsContact CA-O 3.29Å; V672-Q676 WeakPolarHBondContact CA-O 3.37Å; I673-Q676 PolarHBondContact N-O 3.42Å; I673-Q676 PolarHBondContact O-N 2.96Å; A674-Q676 PolarHBondContact O-N 3.36Å; A674-Q676 VanDerWaalsContact O-N 3.13Å |
| 677 | I | 67.1 | Low | 72.9 | Confident | 112 Ų | 112 | 69 Ų | 69 | 57% | 0.574 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 126 | 174.4 | -59.6 | 174 | 0 | 0 | 0 | 108.9 | F670 F671 V672 | F670-I677 HydrophobicContact CB-CG2 4.39Å; F670-I677 HydrophobicContact CD2-CD1 4.31Å; F670-I677 HydrophobicContact CD2-CG1 4.19Å; F670-I677 HydrophobicContact CD2-CG2 4.13Å; F670-I677 HydrophobicContact CE2-CD1 4.29Å; F670-I677 HydrophobicContact CE2-CG1 4.34Å; F671-I677 WeakPolarHBondContact O-CA 3.32Å; V672-I677 HydrophobicContact CG2-CG1 4.41Å |
| 678 | V | 71.4 | Confident | 73.9 | Confident | 27 Ų | 27 | 66.8 Ų | 66.8 | 16% | 0.164 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 145.6 | -176.9 | -161.1 | 0 | 0 | 0 | 0 | 109.8 | L663 F671 I673 E682 | L663-V678 HydrophobicContact CD1-CB 3.69Å; L663-V678 HydrophobicContact CD1-CG1 3.37Å; F671-V678 PolarHBondContact O-N 3.01Å; I673-V678 HydrophobicContact CB-CG2 3.88Å; I673-V678 HydrophobicContact CD1-CG2 3.88Å; I673-V678 HydrophobicContact CG1-CG2 3.71Å; V678-E682 HydrophobicContact CG1-CB 4.03Å; V678-E682 VanDerWaalsContact CG1-OE2 3.29Å; V678-E682 WeakPolarHBondContact CG1-OE2 3.36Å |
| 679 | T | 68 | Low | 74.5 | Confident | 84 Ų | 84 | 66.5 Ų | 66.5 | 52% | 0.515 | 38% | 0.382 | S | S | . | . | trans | -90.8 | 150.4 | -175.3 | 70 | 0 | 0 | 0 | 0 | 112.1 | G681 E682 | T679-G681 PolarHBondContact O-N 2.86Å; T679-E682 WeakPolarHBondContact CA-OE2 3.36Å; T679-E682 WeakPolarHBondContact CB-OE2 3.5Å; T679-E682 PolarHBondContact N-OE2 2.79Å; T679-E682 PolarHBondContact O-N 3.5Å; T679-E682 WeakPolarHBondContact OG1-CG 3.39Å; T679-E682 PolarHBondContact OG1-OE2 2.93Å | ||
| 680 | Y | 71.8 | Confident | 75.1 | Confident | 104 Ų | 104 | 66.4 Ų | 66.4 | 41% | 0.408 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 137.6 | 179.4 | -37.2 | -83.6 | 0 | 0 | 0 | 110.6 | T665 S669 F671 E682 | T665-Y680 HydrophobicContact CG2-CD2 4.48Å; T665-Y680 HydrophobicContact CG2-CG 4.01Å; S669-Y680 PolarHBondContact O-OH 2.87Å; F671-Y680 HydrophobicContact CD2-CD1 4.12Å; F671-Y680 HydrophobicContact CD2-CE1 4.36Å; F671-Y680 AromaticContact CE2-CD1 3.93Å; F671-Y680 HydrophobicContact CE2-CD1 3.93Å; F671-Y680 HydrophobicContact CE2-CE1 4.15Å; Y680-E682 VanDerWaalsContact C-N 3.34Å |
| 681 | G | 67.8 | Low | 75.4 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 50% | 0.495 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -3.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L663 T679 | L663-G681 PolarHBondContact O-N 2.93Å; T679-G681 PolarHBondContact O-N 2.86Å |
| 682 | E | 74.4 | Confident | 75.5 | Confident | 90 Ų | 90 | 67.9 Ų | 67.9 | 42% | 0.421 | 39% | 0.388 | S | S | . | . | trans | -70.4 | 142.3 | 165.1 | -78.1 | 173.8 | 132.4 | 0 | 0 | 110.5 | L663 V678 T679 Y680 | L663-E682 PolarHBondContact N-O 2.66Å; V678-E682 HydrophobicContact CG1-CB 4.03Å; V678-E682 VanDerWaalsContact CG1-OE2 3.29Å; V678-E682 WeakPolarHBondContact CG1-OE2 3.36Å; T679-E682 WeakPolarHBondContact CA-OE2 3.36Å; T679-E682 WeakPolarHBondContact CB-OE2 3.5Å; T679-E682 PolarHBondContact N-OE2 2.79Å; T679-E682 PolarHBondContact O-N 3.5Å; T679-E682 WeakPolarHBondContact OG1-CG 3.39Å; T679-E682 PolarHBondContact OG1-OE2 2.93Å; Y680-E682 VanDerWaalsContact C-N 3.34Å | ||
| 683 | E | 79.1 | Confident | 75.4 | Confident | 118 Ų | 118 | 71 Ų | 71 | 55% | 0.551 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 128.3 | 174.6 | -71.5 | -173.7 | -167.8 | 0 | 0 | 110 | S658 A660 | S658-E683 PolarHBondContact OG-OE2 2.84Å; A660-E683 HydrophobicContact CB-CB 3.96Å |
| 684 | V | 79 | Confident | 75 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.012 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.6 | -178.1 | 171.6 | 0 | 0 | 0 | 0 | 109.8 | A660 C661 L663 I673 T688 V690 C708 W713 | A660-V684 CarbonylContact C-O 3.57Å; A660-V684 WeakPolarHBondContact CA-O 3.04Å; A660-V684 VanDerWaalsContact CB-O 3.25Å; A660-V684 WeakPolarHBondContact CB-O 3.38Å; C661-V684 PolarHBondContact N-O 2.7Å; C661-V684 WeakPolarHBondContact O-CB 3.38Å; C661-V684 PolarHBondContact O-N 2.88Å; L663-V684 HydrophobicContact CD1-CG2 3.82Å; L663-V684 HydrophobicContact CD2-CG2 3.93Å; L663-V684 HydrophobicContact CG-CG2 3.64Å; I673-V684 HydrophobicContact CD1-CB 4.28Å; I673-V684 HydrophobicContact CD1-CG1 3.7Å; I673-V684 HydrophobicContact CD1-CG2 3.59Å; V684-T688 HydrophobicContact CG1-CG2 3.79Å; V684-V690 HydrophobicContact CB-CG2 4.49Å; V684-V690 HydrophobicContact CG1-CG2 3.72Å; V684-V690 HydrophobicContact CG2-CG2 4.27Å; V684-C708 HydrophobicContact CG1-CB 4.37Å; V684-C708 PolarHBondContact O-SG 2.91Å; V684-W713 HydrophobicContact CB-CH2 4.01Å; V684-W713 HydrophobicContact CG1-CH2 4.16Å; V684-W713 HydrophobicContact CG2-CH2 4.22Å |
| 685 | P | 78.7 | Confident | 74.8 | Confident | 84 Ų | 84 | 68 Ų | 68 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | trans | -56.2 | 148.5 | -177.3 | -25.8 | 34.3 | 0 | 0 | 0 | 113.7 | T688 | P685-T688 WeakPolarHBondContact O-CB 3.21Å; P685-T688 PolarHBondContact O-N 2.79Å; P685-T688 VanDerWaalsContact O-N 3.09Å; P685-T688 PolarHBondContact O-OG1 2.85Å | ||
| 686 | D | 78.8 | Confident | 74.1 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 31% | 0.31 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 143.8 | 175.8 | -149 | -16.3 | 0 | 0 | 0 | 111.9 | S659 T688 F709 T710 | S659-D686 WeakPolarHBondContact CB-OD2 3.41Å; S659-D686 WeakPolarHBondContact O-CB 3.23Å; S659-D686 WeakPolarHBondContact OG-CB 3.22Å; S659-D686 PolarHBondContact OG-OD2 3.32Å; D686-T688 PolarHBondContact O-N 2.92Å; D686-F709 VanDerWaalsContact OD1-CA 3.23Å; D686-F709 WeakPolarHBondContact OD1-CA 3.2Å; D686-T710 PolarHBondContact OD1-N 2.79Å; D686-T710 WeakPolarHBondContact OD2-CA 3.39Å; D686-T710 PolarHBondContact OD2-N 3.03Å |
| 687 | G | 79.6 | Confident | 73.8 | Confident | 50 Ų | 50 | 60.2 Ų | 60.2 | 52% | 0.515 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 0.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L707 C708 | G687-L707 VanDerWaalsContact O-CD1 3.29Å; G687-L707 WeakPolarHBondContact O-CD1 3.41Å; G687-C708 WeakPolarHBondContact CA-O 3.16Å; G687-C708 PolarHBondContact N-O 3.39Å |
| 688 | T | 82.6 | Confident | 73.6 | Confident | 34 Ų | 34 | 57.1 Ų | 57.1 | 21% | 0.209 | 34% | 0.341 | C | S | . | . | trans | -81.2 | 129 | 176.4 | -50.8 | 0 | 0 | 0 | 0 | 111.5 | I673 V684 P685 D686 C708 | I673-T688 HydrophobicContact CD1-CG2 4.02Å; I673-T688 HydrophobicContact CG1-CG2 4.43Å; I673-T688 HydrophobicContact CG2-CG2 3.65Å; V684-T688 HydrophobicContact CG1-CG2 3.79Å; P685-T688 WeakPolarHBondContact O-CB 3.21Å; P685-T688 PolarHBondContact O-N 2.79Å; P685-T688 VanDerWaalsContact O-N 3.09Å; P685-T688 PolarHBondContact O-OG1 2.85Å; D686-T688 PolarHBondContact O-N 2.92Å; T688-C708 PolarHBondContact O-N 2.78Å | ||
| 689 | T | 84.5 | Confident | 73.3 | Confident | 71 Ų | 71 | 58.8 Ų | 58.8 | 44% | 0.436 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 130.4 | 170.3 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | E705 N706 | T689-E705 HydrophobicContact CG2-CB 4.43Å; T689-N706 WeakPolarHBondContact CA-O 3.47Å |
| 690 | V | 86.7 | Confident | 73.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 135.8 | 178 | -171.9 | 0 | 0 | 0 | 0 | 110.2 | L663 F671 I673 V684 E705 N706 W713 F717 | L663-V690 HydrophobicContact CD2-CG1 3.88Å; L663-V690 HydrophobicContact CD2-CG2 4.41Å; F671-V690 HydrophobicContact CB-CG1 3.87Å; F671-V690 HydrophobicContact CD1-CG1 3.83Å; F671-V690 HydrophobicContact CG-CG1 4.3Å; I673-V690 HydrophobicContact CD1-CG1 4.46Å; I673-V690 HydrophobicContact CD1-CG2 3.65Å; I673-V690 HydrophobicContact CG1-CB 4.23Å; I673-V690 HydrophobicContact CG1-CG1 4Å; I673-V690 HydrophobicContact CG1-CG2 3.78Å; V684-V690 HydrophobicContact CB-CG2 4.49Å; V684-V690 HydrophobicContact CG1-CG2 3.72Å; V684-V690 HydrophobicContact CG2-CG2 4.27Å; V690-E705 CarbonylContact O-C 3.57Å; V690-E705 WeakPolarHBondContact O-CA 3.45Å; V690-N706 PolarHBondContact N-O 2.01Å; V690-N706 PolarHBondContact O-N 2.78Å; V690-W713 HydrophobicContact CB-CH2 4.3Å; V690-W713 HydrophobicContact CB-CZ3 4.18Å; V690-W713 HydrophobicContact CG2-CH2 3.57Å; V690-W713 HydrophobicContact CG2-CZ3 3.65Å; V690-F717 HydrophobicContact CB-CE1 4.24Å; V690-F717 HydrophobicContact CB-CZ 4.06Å; V690-F717 HydrophobicContact CG1-CE1 4.36Å; V690-F717 HydrophobicContact CG1-CZ 4.23Å |
| 691 | K | 84.9 | Confident | 73.6 | Confident | 86 Ų | 86 | 58.3 Ų | 58.3 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 140 | 171.1 | -45.7 | -157.2 | -177.7 | -146.2 | 0 | 110.9 | F671 V672 P704 E705 | F671-K691 CarbonylContact C-O 3.46Å; F671-K691 VanDerWaalsContact CA-O 3.3Å; F671-K691 WeakPolarHBondContact CA-O 3.42Å; V672-K691 HydrophobicContact CB-CB 4.5Å; V672-K691 PolarHBondContact N-O 2.86Å; V672-K691 PolarHBondContact O-N 3.29Å; K691-P704 CarbonylContact C-O 3.58Å; K691-P704 VanDerWaalsContact CA-O 3.27Å; K691-P704 WeakPolarHBondContact CA-O 3.45Å; K691-E705 HydrophobicContact CB-CG 4.3Å; K691-E705 HydrophobicContact CD-CG 3.93Å; K691-E705 WeakPolarHBondContact CE-OE1 2.68Å; K691-E705 WeakPolarHBondContact CE-OE2 3.01Å; K691-E705 HydrophobicContact CG-CG 3.84Å; K691-E705 IonicContact NZ-OE1 3.62Å; K691-E705 PolarHBondContact NZ-OE1 3.27Å; K691-E705 IonicContact NZ-OE2 3.5Å; K691-E705 PolarHBondContact NZ-OE2 2.9Å |
| 692 | I | 86 | Confident | 74.1 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.5 | 168.6 | -171.5 | 176 | 0 | 0 | 0 | 109.8 | F671 L700 P704 F717 G718 | F671-I692 HydrophobicContact CD1-CB 4.01Å; F671-I692 HydrophobicContact CD1-CG1 4.22Å; F671-I692 HydrophobicContact CE1-CB 3.8Å; F671-I692 HydrophobicContact CE1-CD1 3.81Å; F671-I692 HydrophobicContact CE1-CG1 3.82Å; F671-I692 HydrophobicContact CZ-CD1 3.8Å; F671-I692 HydrophobicContact CZ-CG1 4.13Å; I692-L700 HydrophobicContact CD1-CD1 4.39Å; I692-L700 HydrophobicContact CG1-CD1 4.47Å; I692-L700 HydrophobicContact CG2-CD1 3.83Å; I692-L700 HydrophobicContact CG2-CD2 3.98Å; I692-P704 PolarHBondContact N-O 2.89Å; I692-F717 HydrophobicContact CB-CD1 3.89Å; I692-F717 HydrophobicContact CB-CE1 4.41Å; I692-F717 HydrophobicContact CD1-CB 4.24Å; I692-F717 HydrophobicContact CG2-CB 4.27Å; I692-F717 HydrophobicContact CG2-CD1 3.76Å; I692-F717 HydrophobicContact CG2-CG 4.45Å; I692-G718 WeakPolarHBondContact CD1-O 3.25Å |
| 693 | H | 79.7 | Confident | 74.3 | Confident | 85 Ų | 85 | 58 Ų | 58 | 39% | 0.394 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 139.9 | 176.2 | -73.1 | -97.5 | 0 | 0 | 0 | 110.1 | S669 F670 | S669-H693 CarbonylContact C-O 3.52Å; S669-H693 WeakPolarHBondContact CA-O 3.43Å; F670-H693 HydrophobicContact CD1-CB 4.21Å; F670-H693 HydrophobicContact CD2-CB 4.12Å; F670-H693 HydrophobicContact CE1-CB 3.73Å; F670-H693 HydrophobicContact CE2-CB 3.65Å; F670-H693 HydrophobicContact CG-CB 4.39Å; F670-H693 HydrophobicContact CZ-CB 3.43Å; F670-H693 VanDerWaalsContact CZ-CB 3.43Å; F670-H693 PolarHBondContact N-O 3.28Å; F670-H693 PolarHBondContact O-N 2.9Å |
| 694 | C | 71.6 | Confident | 74.4 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 148 | 175.5 | -63.8 | 0 | 0 | 0 | 0 | 112.6 | H698 L700 C720 | C694-H698 HydrophobicContact CB-CB 4.01Å; C694-H698 WeakPolarHBondContact CB-O 3.17Å; C694-L700 WeakPolarHBondContact SG-CA 3.49Å; C694-L700 VanDerWaalsContact SG-CB 3.54Å; C694-L700 VanDerWaalsContact SG-CD1 3.58Å; C694-L700 PolarHBondContact SG-N 2.85Å; C694-L700 VanDerWaalsContact SG-N 3.39Å; C694-C720 WeakPolarHBondContact CA-SG 3.38Å; C694-C720 HydrophobicContact CB-CB 3.8Å; C694-C720 WeakPolarHBondContact CB-SG 3.48Å; C694-C720 WeakPolarHBondContact SG-CA 3.21Å; C694-C720 WeakPolarHBondContact SG-CB 3.2Å; C694-C720 CovalentContact SG-SG 2.04Å; C694-C720 PolarHBondContact SG-SG 3.48Å |
| 695 | S | 64.3 | Low | 74.7 | Confident | 35 Ų | 35 | 59.2 Ų | 59.2 | 25% | 0.245 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 148.9 | 170.3 | -68.6 | 0 | 0 | 0 | 0 | 110.5 | N668 G697 H698 | N668-S695 VanDerWaalsContact C-OG 3.25Å; N668-S695 WeakPolarHBondContact O-CB 3.45Å; N668-S695 PolarHBondContact O-N 2.97Å; N668-S695 PolarHBondContact O-OG 3.48Å; S695-G697 PolarHBondContact O-N 3.28Å; S695-H698 WeakPolarHBondContact O-CB 3.47Å; S695-H698 PolarHBondContact O-N 3.08Å |
| 696 | P | 47 | Very low | 74.8 | Confident | 90 Ų | 90 | 55.4 Ų | 55.4 | 58% | 0.584 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | 132 | -178.8 | -30 | 35.3 | 0 | 0 | 0 | 113.4 | L768 | P696-L768 HydrophobicContact CB-CD1 3.97Å; P696-L768 HydrophobicContact CB-CD2 3.76Å; P696-L768 HydrophobicContact CG-CD1 3.87Å; P696-L768 HydrophobicContact CG-CD2 3.94Å |
| 697 | G | 46.6 | Very low | 75.2 | Confident | 54 Ų | 54 | 55 Ų | 55 | 56% | 0.557 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -2.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | S695 S723 | S695-G697 PolarHBondContact O-N 3.28Å; G697-S723 PolarHBondContact O-N 2.76Å |
| 698 | H | 62.2 | Low | 75.5 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 22% | 0.222 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 142.2 | 173.5 | -63 | 67.7 | 0 | 0 | 0 | 111.3 | N668 C694 S695 C720 F721 P722 | N668-H698 HydrophobicContact CB-CB 4.49Å; N668-H698 PolarHBondContact ND2-NE2 2.8Å; C694-H698 HydrophobicContact CB-CB 4.01Å; C694-H698 WeakPolarHBondContact CB-O 3.17Å; S695-H698 WeakPolarHBondContact O-CB 3.47Å; S695-H698 PolarHBondContact O-N 3.08Å; H698-C720 HydrophobicContact CB-CB 4.04Å; H698-C720 PolarHBondContact CD2-O 2.95Å; H698-F721 CarbonylContact C-O 3.54Å; H698-F721 WeakPolarHBondContact CA-O 3.35Å; H698-F721 WeakPolarHBondContact CB-O 3.47Å; H698-F721 VanDerWaalsContact CD2-C 3.5Å; H698-P722 VanDerWaalsContact CD2-N 3.3Å |
| 699 | V | 66.6 | Low | 75.4 | Confident | 62 Ų | 62 | 56.4 Ų | 56.4 | 38% | 0.376 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 142 | 175.4 | -172.9 | 0 | 0 | 0 | 0 | 108.5 | C720 F721 T776 | V699-C720 WeakPolarHBondContact O-CA 3.47Å; V699-F721 PolarHBondContact N-O 3.35Å; V699-F721 PolarHBondContact O-N 3.43Å; V699-T776 HydrophobicContact CG2-CG2 3.91Å |
| 700 | L | 71.4 | Confident | 75.1 | Confident | 47 Ų | 47 | 57 Ų | 57 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 128.2 | 171.8 | -168.2 | 79.4 | 0 | 0 | 0 | 110 | I692 C694 P704 K719 | I692-L700 HydrophobicContact CD1-CD1 4.39Å; I692-L700 HydrophobicContact CG1-CD1 4.47Å; I692-L700 HydrophobicContact CG2-CD1 3.83Å; I692-L700 HydrophobicContact CG2-CD2 3.98Å; C694-L700 WeakPolarHBondContact SG-CA 3.49Å; C694-L700 VanDerWaalsContact SG-CB 3.54Å; C694-L700 VanDerWaalsContact SG-CD1 3.58Å; C694-L700 PolarHBondContact SG-N 2.85Å; C694-L700 VanDerWaalsContact SG-N 3.39Å; L700-P704 HydrophobicContact CD2-CB 3.59Å; L700-K719 WeakPolarHBondContact CA-O 3.27Å |
| 701 | E | 74.2 | Confident | 74.3 | Confident | 130 Ų | 130 | 58.6 Ų | 58.6 | 61% | 0.607 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 120.8 | 170 | -172.1 | 176.3 | -153 | 0 | 0 | 109.4 | G718 K719 F721 | E701-G718 CarbonylContact O-C 3.53Å; E701-G718 WeakPolarHBondContact O-CA 2.54Å; E701-K719 PolarHBondContact N-O 2.83Å; E701-K719 PolarHBondContact O-N 2.78Å; E701-F721 HydrophobicContact CB-CD2 3.81Å; E701-F721 HydrophobicContact CB-CE2 3.97Å; E701-F721 VanDerWaalsContact OE2-CD2 3.24Å; E701-F721 WeakPolarHBondContact OE2-CD2 3.11Å; E701-F721 WeakPolarHBondContact OE2-CE2 3.44Å |
| 702 | G | 77.1 | Confident | 74 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 59% | 0.588 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 98.5 | -169.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 703 | L | 79.5 | Confident | 73.9 | Confident | 74 Ų | 74 | 60.7 Ų | 60.7 | 39% | 0.387 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -67.4 | 124.7 | -166.2 | -75.8 | 164.6 | 0 | 0 | 0 | 113.6 | F715 G718 | L703-F715 HydrophobicContact CD1-CB 3.36Å; L703-F715 HydrophobicContact CD1-CD1 4.49Å; L703-F715 HydrophobicContact CD1-CD2 3.91Å; L703-F715 HydrophobicContact CD1-CG 3.69Å; L703-G718 PolarHBondContact O-N 3.23Å |
| 704 | P | 80.9 | Confident | 73.9 | Confident | 64 Ų | 64 | 62.5 Ų | 62.5 | 42% | 0.416 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -77.7 | -19.1 | 176.6 | 30.6 | -34 | 0 | 0 | 0 | 113.7 | K691 I692 L700 | K691-P704 CarbonylContact C-O 3.58Å; K691-P704 VanDerWaalsContact CA-O 3.27Å; K691-P704 WeakPolarHBondContact CA-O 3.45Å; I692-P704 PolarHBondContact N-O 2.89Å; L700-P704 HydrophobicContact CD2-CB 3.59Å |
| 705 | E | 84.9 | Confident | 74.3 | Confident | 83 Ų | 83 | 67 Ų | 67 | 39% | 0.388 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 144.2 | -176 | -52.2 | -167.4 | -152.4 | 0 | 0 | 109.4 | T689 V690 K691 | T689-E705 HydrophobicContact CG2-CB 4.43Å; V690-E705 CarbonylContact O-C 3.57Å; V690-E705 WeakPolarHBondContact O-CA 3.45Å; K691-E705 HydrophobicContact CB-CG 4.3Å; K691-E705 HydrophobicContact CD-CG 3.93Å; K691-E705 WeakPolarHBondContact CE-OE1 2.68Å; K691-E705 WeakPolarHBondContact CE-OE2 3.01Å; K691-E705 HydrophobicContact CG-CG 3.84Å; K691-E705 IonicContact NZ-OE1 3.62Å; K691-E705 PolarHBondContact NZ-OE1 3.27Å; K691-E705 IonicContact NZ-OE2 3.5Å; K691-E705 PolarHBondContact NZ-OE2 2.9Å |
| 706 | N | 82.5 | Confident | 74.9 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 145.5 | 177.9 | -119.2 | -65.2 | 0 | 0 | 0 | 111.8 | T689 V690 W713 F715 F717 | T689-N706 WeakPolarHBondContact CA-O 3.47Å; V690-N706 PolarHBondContact N-O 2.01Å; V690-N706 PolarHBondContact O-N 2.78Å; N706-W713 HydrophobicContact CB-CE3 4.21Å; N706-F715 VanDerWaalsContact CG-O 3.3Å; N706-F715 PolarHBondContact ND2-O 3.23Å; N706-F715 VanDerWaalsContact ND2-O 3.15Å; N706-F715 PolarHBondContact OD1-N 2.88Å; N706-F715 PolarHBondContact OD1-O 3.23Å; N706-F715 VanDerWaalsContact OD1-O 3.12Å; N706-F717 HydrophobicContact CB-CD1 3.89Å; N706-F717 HydrophobicContact CB-CE1 3.55Å; N706-F717 HydrophobicContact CB-CE2 4.37Å; N706-F717 HydrophobicContact CB-CG 4.45Å; N706-F717 HydrophobicContact CB-CZ 3.81Å |
| 707 | L | 86.7 | Confident | 76.5 | Confident | 50 Ų | 50 | 65.8 Ų | 65.8 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 130.7 | 177.7 | -173.9 | 65.5 | 0 | 0 | 0 | 108.7 | G687 K714 | G687-L707 VanDerWaalsContact O-CD1 3.29Å; G687-L707 WeakPolarHBondContact O-CD1 3.41Å; L707-K714 HydrophobicContact CB-CB 4.29Å; L707-K714 HydrophobicContact CB-CD 4.45Å; L707-K714 HydrophobicContact CD2-CD 4.27Å; L707-K714 PolarHBondContact O-N 2.84Å |
| 708 | C | 85.8 | Confident | 78 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 126.6 | 161.8 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | C661 V684 G687 T688 W713 | C661-C708 HydrophobicContact CB-CB 3.76Å; C661-C708 WeakPolarHBondContact CB-SG 2.95Å; C661-C708 PolarHBondContact N-SG 2.89Å; C661-C708 WeakPolarHBondContact SG-CA 2.45Å; C661-C708 WeakPolarHBondContact SG-CB 3.5Å; C661-C708 CovalentContact SG-SG 2.03Å; C661-C708 PolarHBondContact SG-SG 2.95Å; V684-C708 HydrophobicContact CG1-CB 4.37Å; V684-C708 PolarHBondContact O-SG 2.91Å; G687-C708 WeakPolarHBondContact CA-O 3.16Å; G687-C708 PolarHBondContact N-O 3.39Å; T688-C708 PolarHBondContact O-N 2.78Å; C708-W713 HydrophobicContact CB-CE3 4.41Å; C708-W713 HydrophobicContact CB-CH2 4.37Å; C708-W713 HydrophobicContact CB-CZ3 3.94Å |
| 709 | F | 80.6 | Confident | 78.8 | Confident | 112 Ų | 112 | 67.3 Ų | 67.3 | 49% | 0.491 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 116 | 179.3 | -168.1 | -99.8 | 0 | 0 | 0 | 110 | D686 G711 T712 | D686-F709 VanDerWaalsContact OD1-CA 3.23Å; D686-F709 WeakPolarHBondContact OD1-CA 3.2Å; F709-G711 PolarHBondContact O-N 2.66Å; F709-T712 PolarHBondContact N-O 3.04Å; F709-T712 PolarHBondContact O-N 2.94Å; F709-T712 PolarHBondContact O-OG1 3Å |
| 710 | T | 77 | Confident | 79.2 | Confident | 85 Ų | 85 | 65.2 Ų | 65.2 | 52% | 0.521 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 49.4 | 176.6 | 60 | 0 | 0 | 0 | 0 | 113.2 | D686 T712 | D686-T710 PolarHBondContact OD1-N 2.79Å; D686-T710 WeakPolarHBondContact OD2-CA 3.39Å; D686-T710 PolarHBondContact OD2-N 3.03Å; T710-T712 PolarHBondContact O-N 2.84Å |
| 711 | G | 71.8 | Confident | 78.9 | Confident | 32 Ų | 32 | 67.4 Ų | 67.4 | 33% | 0.33 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 1.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S659 F709 | S659-G711 WeakPolarHBondContact O-CA 3.46Å; S659-G711 PolarHBondContact O-N 2.99Å; F709-G711 PolarHBondContact O-N 2.66Å |
| 712 | T | 78.4 | Confident | 77.7 | Confident | 83 Ų | 83 | 64.5 Ų | 64.5 | 51% | 0.509 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 152.2 | -179.3 | 67.1 | 0 | 0 | 0 | 0 | 112.5 | C661 F709 T710 | C661-T712 PolarHBondContact SG-N 3.13Å; C661-T712 VanDerWaalsContact SG-N 3.4Å; C661-T712 PolarHBondContact SG-O 2.96Å; F709-T712 PolarHBondContact N-O 3.04Å; F709-T712 PolarHBondContact O-N 2.94Å; F709-T712 PolarHBondContact O-OG1 3Å; T710-T712 PolarHBondContact O-N 2.84Å |
| 713 | W | 82.2 | Confident | 76.4 | Confident | 53 Ų | 53 | 62.8 Ų | 62.8 | 20% | 0.201 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 121.6 | 172.5 | -64.2 | 107.3 | 0 | 0 | 0 | 109.4 | C661 T662 L663 V684 V690 N706 C708 F715 F717 | C661-W713 HydrophobicContact CB-CD2 3.9Å; C661-W713 VanDerWaalsContact CB-CE2 3.45Å; C661-W713 HydrophobicContact CB-CE3 4.22Å; C661-W713 HydrophobicContact CB-CH2 3.74Å; C661-W713 HydrophobicContact CB-CZ2 3.37Å; C661-W713 HydrophobicContact CB-CZ3 4.15Å; T662-W713 PolarHBondContact O-NE1 2.94Å; L663-W713 HydrophobicContact CD2-CH2 3.83Å; L663-W713 HydrophobicContact CD2-CZ2 3.72Å; L663-W713 HydrophobicContact CG-CZ2 4.39Å; V684-W713 HydrophobicContact CB-CH2 4.01Å; V684-W713 HydrophobicContact CG1-CH2 4.16Å; V684-W713 HydrophobicContact CG2-CH2 4.22Å; V690-W713 HydrophobicContact CB-CH2 4.3Å; V690-W713 HydrophobicContact CB-CZ3 4.18Å; V690-W713 HydrophobicContact CG2-CH2 3.57Å; V690-W713 HydrophobicContact CG2-CZ3 3.65Å; N706-W713 HydrophobicContact CB-CE3 4.21Å; C708-W713 HydrophobicContact CB-CE3 4.41Å; C708-W713 HydrophobicContact CB-CH2 4.37Å; C708-W713 HydrophobicContact CB-CZ3 3.94Å; W713-F715 WeakPolarHBondContact CB-O 3.36Å; W713-F715 PolarHBondContact O-N 2.95Å; W713-F717 HydrophobicContact CD2-CD2 4.49Å; W713-F717 AromaticContact CD2-CE2 3.52Å; W713-F717 HydrophobicContact CD2-CE2 3.52Å; W713-F717 AromaticContact CD2-CZ 3.99Å; W713-F717 HydrophobicContact CD2-CZ 3.99Å; W713-F717 AromaticContact CE2-CE2 3.69Å; W713-F717 AromaticContact CE3-CE2 3.76Å; W713-F717 HydrophobicContact CE3-CE2 3.76Å; W713-F717 AromaticContact CE3-CZ 3.73Å; W713-F717 HydrophobicContact CE3-CZ 3.73Å; W713-F717 AromaticContact CG-CE2 3.98Å; W713-F717 HydrophobicContact CG-CE2 3.98Å; W713-F717 HydrophobicContact CH2-CE2 4.33Å; W713-F717 HydrophobicContact CH2-CZ 4.08Å; W713-F717 HydrophobicContact CZ2-CE2 4.1Å; W713-F717 HydrophobicContact CZ2-CZ 4.3Å; W713-F717 HydrophobicContact CZ3-CE2 4.16Å; W713-F717 AromaticContact CZ3-CZ 3.78Å; W713-F717 HydrophobicContact CZ3-CZ 3.78Å |
| 714 | K | 80 | Confident | 74.8 | Confident | 122 Ų | 122 | 65.6 Ų | 65.6 | 53% | 0.53 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -54.4 | -30.9 | -174.2 | -174.2 | 169.8 | -178.8 | 169.8 | 0 | 113.4 | L707 | L707-K714 HydrophobicContact CB-CB 4.29Å; L707-K714 HydrophobicContact CB-CD 4.45Å; L707-K714 HydrophobicContact CD2-CD 4.27Å; L707-K714 PolarHBondContact O-N 2.84Å |
| 715 | F | 80.5 | Confident | 72.7 | Confident | 122 Ų | 122 | 68.1 Ų | 68.1 | 54% | 0.535 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -138.7 | 174.4 | 167.6 | -52.8 | -77.2 | 0 | 0 | 0 | 110 | L703 N706 W713 | L703-F715 HydrophobicContact CD1-CB 3.36Å; L703-F715 HydrophobicContact CD1-CD1 4.49Å; L703-F715 HydrophobicContact CD1-CD2 3.91Å; L703-F715 HydrophobicContact CD1-CG 3.69Å; N706-F715 VanDerWaalsContact CG-O 3.3Å; N706-F715 PolarHBondContact ND2-O 3.23Å; N706-F715 VanDerWaalsContact ND2-O 3.15Å; N706-F715 PolarHBondContact OD1-N 2.88Å; N706-F715 PolarHBondContact OD1-O 3.23Å; N706-F715 VanDerWaalsContact OD1-O 3.12Å; W713-F715 WeakPolarHBondContact CB-O 3.36Å; W713-F715 PolarHBondContact O-N 2.95Å |
| 716 | S | 76.7 | Confident | 70.2 | Confident | 93 Ų | 93 | 67.3 Ų | 67.3 | 65% | 0.65 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 131.7 | 169.4 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 717 | F | 80.7 | Confident | 67.8 | Low | 7 Ų | 7 | 70.4 Ų | 70.4 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -58.2 | 151.7 | 168.5 | -70.1 | -79.9 | 0 | 0 | 0 | 111.4 | P664 R666 F671 V690 I692 N706 W713 | P664-F717 HydrophobicContact CG-CD2 4.1Å; P664-F717 HydrophobicContact CG-CE2 4.3Å; R666-F717 PolarHBondContact NH1-O 3.09Å; R666-F717 PolarHBondContact NH2-O 2.76Å; F671-F717 HydrophobicContact CD1-CD1 4.5Å; F671-F717 HydrophobicContact CD1-CE1 4.01Å; F671-F717 HydrophobicContact CD1-CE2 4.49Å; F671-F717 HydrophobicContact CD1-CZ 4.01Å; F671-F717 AromaticContact CE1-CD1 3.88Å; F671-F717 HydrophobicContact CE1-CD1 3.88Å; F671-F717 AromaticContact CE1-CD2 3.92Å; F671-F717 HydrophobicContact CE1-CD2 3.92Å; F671-F717 AromaticContact CE1-CE1 3.76Å; F671-F717 HydrophobicContact CE1-CE1 3.76Å; F671-F717 AromaticContact CE1-CE2 3.81Å; F671-F717 HydrophobicContact CE1-CE2 3.81Å; F671-F717 AromaticContact CE1-CG 3.96Å; F671-F717 HydrophobicContact CE1-CG 3.96Å; F671-F717 AromaticContact CE1-CZ 3.73Å; F671-F717 HydrophobicContact CE1-CZ 3.73Å; V690-F717 HydrophobicContact CB-CE1 4.24Å; V690-F717 HydrophobicContact CB-CZ 4.06Å; V690-F717 HydrophobicContact CG1-CE1 4.36Å; V690-F717 HydrophobicContact CG1-CZ 4.23Å; I692-F717 HydrophobicContact CB-CD1 3.89Å; I692-F717 HydrophobicContact CB-CE1 4.41Å; I692-F717 HydrophobicContact CD1-CB 4.24Å; I692-F717 HydrophobicContact CG2-CB 4.27Å; I692-F717 HydrophobicContact CG2-CD1 3.76Å; I692-F717 HydrophobicContact CG2-CG 4.45Å; N706-F717 HydrophobicContact CB-CD1 3.89Å; N706-F717 HydrophobicContact CB-CE1 3.55Å; N706-F717 HydrophobicContact CB-CE2 4.37Å; N706-F717 HydrophobicContact CB-CG 4.45Å; N706-F717 HydrophobicContact CB-CZ 3.81Å; W713-F717 HydrophobicContact CD2-CD2 4.49Å; W713-F717 AromaticContact CD2-CE2 3.52Å; W713-F717 HydrophobicContact CD2-CE2 3.52Å; W713-F717 AromaticContact CD2-CZ 3.99Å; W713-F717 HydrophobicContact CD2-CZ 3.99Å; W713-F717 AromaticContact CE2-CE2 3.69Å; W713-F717 AromaticContact CE3-CE2 3.76Å; W713-F717 HydrophobicContact CE3-CE2 3.76Å; W713-F717 AromaticContact CE3-CZ 3.73Å; W713-F717 HydrophobicContact CE3-CZ 3.73Å; W713-F717 AromaticContact CG-CE2 3.98Å; W713-F717 HydrophobicContact CG-CE2 3.98Å; W713-F717 HydrophobicContact CH2-CE2 4.33Å; W713-F717 HydrophobicContact CH2-CZ 4.08Å; W713-F717 HydrophobicContact CZ2-CE2 4.1Å; W713-F717 HydrophobicContact CZ2-CZ 4.3Å; W713-F717 HydrophobicContact CZ3-CE2 4.16Å; W713-F717 AromaticContact CZ3-CZ 3.78Å; W713-F717 HydrophobicContact CZ3-CZ 3.78Å |
| 718 | G | 79.3 | Confident | 65.2 | Low | 3 Ų | 3 | 71.9 Ų | 71.9 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 158.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R666 I692 E701 L703 | R666-G718 VanDerWaalsContact NH1-C 3.3Å; R666-G718 PolarHBondContact NH1-O 3.39Å; I692-G718 WeakPolarHBondContact CD1-O 3.25Å; E701-G718 CarbonylContact O-C 3.53Å; E701-G718 WeakPolarHBondContact O-CA 2.54Å; L703-G718 PolarHBondContact O-N 3.23Å |
| 719 | K | 77.9 | Confident | 62.5 | Low | 131 Ų | 131 | 77.9 Ų | 77.9 | 57% | 0.57 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 148.6 | 175.6 | -71.8 | 175.7 | -177.7 | 171.3 | 0 | 109.9 | L700 E701 F721 | L700-K719 WeakPolarHBondContact CA-O 3.27Å; E701-K719 PolarHBondContact N-O 2.83Å; E701-K719 PolarHBondContact O-N 2.78Å; K719-F721 HydrophobicContact CB-CD2 4.04Å; K719-F721 HydrophobicContact CB-CE2 3.48Å; K719-F721 VanDerWaalsContact CB-CE2 3.48Å; K719-F721 HydrophobicContact CB-CZ 3.99Å; K719-F721 HydrophobicContact CD-CE2 4.12Å; K719-F721 HydrophobicContact CD-CZ 3.85Å; K719-F721 HydrophobicContact CG-CE2 4.45Å |
| 720 | C | 75.6 | Confident | 60.2 | Low | 18 Ų | 18 | 81.1 Ų | 81.1 | 12% | 0.122 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 101.5 | 177.6 | -68.6 | 0 | 0 | 0 | 0 | 110.4 | N668 S669 C694 H698 V699 | N668-C720 VanDerWaalsContact O-CB 3.28Å; N668-C720 WeakPolarHBondContact O-CB 3.38Å; N668-C720 PolarHBondContact O-SG 2.86Å; S669-C720 VanDerWaalsContact CB-SG 3.51Å; C694-C720 WeakPolarHBondContact CA-SG 3.38Å; C694-C720 HydrophobicContact CB-CB 3.8Å; C694-C720 WeakPolarHBondContact CB-SG 3.48Å; C694-C720 WeakPolarHBondContact SG-CA 3.21Å; C694-C720 WeakPolarHBondContact SG-CB 3.2Å; C694-C720 CovalentContact SG-SG 2.04Å; C694-C720 PolarHBondContact SG-SG 3.48Å; H698-C720 HydrophobicContact CB-CB 4.04Å; H698-C720 PolarHBondContact CD2-O 2.95Å; V699-C720 WeakPolarHBondContact O-CA 3.47Å |
| 721 | F | 65.6 | Low | 58 | Low | 93 Ų | 93 | 84.8 Ų | 84.8 | 41% | 0.408 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 142.6 | 179.1 | -68.7 | -84.2 | 0 | 0 | 0 | 110.9 | H698 V699 E701 K719 S723 | H698-F721 CarbonylContact C-O 3.54Å; H698-F721 WeakPolarHBondContact CA-O 3.35Å; H698-F721 WeakPolarHBondContact CB-O 3.47Å; H698-F721 VanDerWaalsContact CD2-C 3.5Å; V699-F721 PolarHBondContact N-O 3.35Å; V699-F721 PolarHBondContact O-N 3.43Å; E701-F721 HydrophobicContact CB-CD2 3.81Å; E701-F721 HydrophobicContact CB-CE2 3.97Å; E701-F721 VanDerWaalsContact OE2-CD2 3.24Å; E701-F721 WeakPolarHBondContact OE2-CD2 3.11Å; E701-F721 WeakPolarHBondContact OE2-CE2 3.44Å; K719-F721 HydrophobicContact CB-CD2 4.04Å; K719-F721 HydrophobicContact CB-CE2 3.48Å; K719-F721 VanDerWaalsContact CB-CE2 3.48Å; K719-F721 HydrophobicContact CB-CZ 3.99Å; K719-F721 HydrophobicContact CD-CE2 4.12Å; K719-F721 HydrophobicContact CD-CZ 3.85Å; K719-F721 HydrophobicContact CG-CE2 4.45Å; F721-S723 PolarHBondContact O-N 3.24Å |
| 722 | P | 48.3 | Very low | 55.9 | Low | 69 Ų | 69 | 89.2 Ų | 89.2 | 45% | 0.448 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 134.9 | 174.3 | 27.1 | -34.1 | 0 | 0 | 0 | 109.5 | H698 I724 | H698-P722 VanDerWaalsContact CD2-N 3.3Å; P722-I724 HydrophobicContact CB-CG1 4.41Å; P722-I724 HydrophobicContact CG-CD1 4.11Å; P722-I724 HydrophobicContact CG-CG1 4.34Å; P722-I724 PolarHBondContact O-N 3.36Å |
| 723 | S | 50.5 | Low | 53.5 | Low | 21 Ų | 21 | 91.3 Ų | 91.3 | 15% | 0.147 | 49% | 0.489 | C | S | . | . | trans | -68.3 | 95.6 | 175.9 | 176.4 | 0 | 0 | 0 | 0 | 109.7 | G697 F721 E778 | G697-S723 PolarHBondContact O-N 2.76Å; F721-S723 PolarHBondContact O-N 3.24Å; S723-E778 WeakPolarHBondContact O-CG 3.42Å | ||
| 724 | I | 45 | Very low | 51 | Low | 132 Ų | 132 | 94.4 Ų | 94.4 | 68% | 0.677 | 52% | 0.516 | S | S | * | . | trans | -106.5 | 126.9 | 175.4 | -59.1 | 170.5 | 0 | 0 | 0 | 109 | P722 E778 | P722-I724 HydrophobicContact CB-CG1 4.41Å; P722-I724 HydrophobicContact CG-CD1 4.11Å; P722-I724 HydrophobicContact CG-CG1 4.34Å; P722-I724 PolarHBondContact O-N 3.36Å; I724-E778 WeakPolarHBondContact CA-OE1 3.5Å | ||
| 725 | K | 35.8 | Very low | 48.5 | Very low | 117 Ų | 117 | 96.2 Ų | 96.2 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | trans | -144.3 | 118.2 | 165.9 | -77.7 | -169.1 | 175.5 | -175.2 | 0 | 113 | Y777 E778 | K725-Y777 HydrophobicContact CB-CE1 3.59Å; K725-Y777 VanDerWaalsContact CB-OH 3.31Å; K725-Y777 WeakPolarHBondContact CB-OH 3.38Å; K725-Y777 HydrophobicContact CD-CE1 4.25Å; K725-Y777 HydrophobicContact CD-CE2 4Å; K725-Y777 WeakPolarHBondContact CD-OH 3.26Å; K725-Y777 HydrophobicContact CG-CE1 4.46Å; K725-E778 PolarHBondContact N-OE1 3.39Å | ||
| 726 | S | 32.4 | Very low | 46 | Very low | 67 Ų | 67 | 98.4 Ų | 98.4 | 47% | 0.469 | 54% | 0.54 | S | S | . | . | trans | -89.4 | 175.6 | 176.9 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | S432 | S432-S726 PolarHBondContact O-OG 3.24Š| ||
| 727 | N | 32.6 | Very low | 43.7 | Very low | 68 Ų | 68 | 102.1 Ų | 102.1 | 36% | 0.364 | 55% | 0.552 | S | S | . | * | trans | 76.6 | 153.4 | 170.3 | -64.9 | 1.8 | 0 | 0 | 0 | 119.6 | S430 W431 | S430-N727 PolarHBondContact OG-ND2 3.01Å; W431-N727 PolarHBondContact O-ND2 3.07Å | ||
| 728 | S | 32.6 | Very low | 41.4 | Very low | 82 Ų | 82 | 107.1 Ų | 107.1 | 57% | 0.573 | 58% | 0.578 | S | S | * | * | -178.6 | 175 | -83.9 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 729 | T | 29.9 | Very low | 39.2 | Very low | 125 Ų | 125 | 114.6 Ų | 114.6 | 77% | 0.767 | 62% | 0.617 | S | S | * | * | trans | 79.1 | 161.8 | 169.3 | 76.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 730 | K | 32.1 | Very low | 37.1 | Very low | 180 Ų | 180 | 111.7 Ų | 111.7 | 78% | 0.783 | 63% | 0.625 | S | S | * | * | trans | 62.7 | 121.9 | -174.6 | -59.2 | -163.8 | 169.5 | -161.4 | 0 | 116.5 | ||||
| 731 | E | 30.2 | Very low | 34.9 | Very low | 162 Ų | 162 | 115.8 Ų | 115.8 | 76% | 0.757 | 65% | 0.653 | S | S | * | * | cis | -149.5 | 137.8 | -7.5 | -129.7 | 151.4 | -122.1 | 0 | 0 | 110 | ||||
| 732 | C | 28.6 | Very low | 33.3 | Very low | 126 Ų | 126 | 117.4 Ų | 117.4 | 85% | 0.851 | 67% | 0.665 | S | S | * | * | trans | -118.1 | 116.1 | -179.1 | -67.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 733 | C | 27.4 | Very low | 32.4 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 86% | 0.858 | 68% | 0.683 | S | S | * | * | trans | -63.4 | 130.4 | 165.3 | -65.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 734 | P | 28.8 | Very low | 31.5 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 77% | 0.766 | 71% | 0.714 | S | S | * | * | trans | -80.9 | 142.3 | -169.7 | 31.4 | -35.5 | 0 | 0 | 0 | 112.5 | ||||
| 735 | L | 28.7 | Very low | 30.8 | Very low | 159 Ų | 159 | 124.9 Ų | 124.9 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | trans | -117.8 | 111.6 | 158.9 | -71.8 | 176.9 | 0 | 0 | 0 | 108.5 | ||||
| 736 | K | 28.3 | Very low | 30.9 | Very low | 169 Ų | 169 | 124.7 Ų | 124.7 | 74% | 0.735 | 73% | 0.733 | S | S | * | * | trans | -90.3 | 133.2 | -176.3 | -155.6 | 177.3 | -173.8 | -177.1 | 0 | 108.9 | I738 | K736-I738 PolarHBondContact O-N 3.42Š| ||
| 737 | L | 28.3 | Very low | 31.1 | Very low | 170 Ų | 170 | 127.7 Ų | 127.7 | 89% | 0.89 | 75% | 0.748 | S | S | * | * | trans | -73.7 | 110.3 | 174.5 | -89.8 | 156.8 | 0 | 0 | 0 | 110 | ||||
| 738 | I | 31.3 | Very low | 31.1 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 57% | 0.574 | 77% | 0.77 | S | S | * | * | trans | -137.8 | 127.7 | 164 | -54.3 | 179.7 | 0 | 0 | 0 | 106 | K736 G740 | K736-I738 PolarHBondContact O-N 3.42Å; I738-G740 VanDerWaalsContact C-N 3.3Å; I738-G740 PolarHBondContact O-N 3.37Å | ||
| 739 | D | 32.4 | Very low | 31 | Very low | 160 Ų | 160 | 133 Ų | 133 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.3 | 36.9 | 167.4 | -54 | -16.3 | 0 | 0 | 0 | 118.5 | S741 | D739-S741 VanDerWaalsContact C-N 3.34Å; D739-S741 PolarHBondContact O-N 2.9Å |
| 740 | G | 34 | Very low | 31 | Very low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.6 | -9 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | I738 | I738-G740 VanDerWaalsContact C-N 3.3Å; I738-G740 PolarHBondContact O-N 3.37Å |
| 741 | S | 29.2 | Very low | 30.9 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -140.2 | 126.4 | -178.5 | -59.1 | 0 | 0 | 0 | 0 | 112.7 | D739 | D739-S741 VanDerWaalsContact C-N 3.34Å; D739-S741 PolarHBondContact O-N 2.9Å | ||
| 742 | L | 32.3 | Very low | 30.8 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | -141.2 | 148.9 | 174.7 | -80.7 | 175.5 | 0 | 0 | 0 | 113.8 | ||||
| 743 | V | 30.9 | Very low | 30.8 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -141 | 144.3 | -167.4 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 744 | P | 30.1 | Very low | 31 | Very low | 124 Ų | 124 | 130 Ų | 130 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -90.7 | 153.3 | 178.7 | 35.5 | -34.9 | 0 | 0 | 0 | 114.1 | ||||
| 745 | S | 31.5 | Very low | 31 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -144.6 | 154.6 | 171.1 | -158.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 746 | P | 38.4 | Very low | 30.9 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -118.8 | -162.9 | -157.1 | 44.3 | -33.5 | 0 | 0 | 0 | 115.9 | ||||
| 747 | V | 36 | Very low | 31 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | trans | 103.3 | 127 | -171.3 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 748 | E | 33.2 | Very low | 31.2 | Very low | 175 Ų | 175 | 124 Ų | 124 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | cis | -140.4 | 121.3 | 10 | -137.8 | 147.5 | -130.6 | 0 | 0 | 108.4 | ||||
| 749 | A | 29.9 | Very low | 31.1 | Very low | 88 Ų | 88 | 127 Ų | 127 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | 81.3 | 73.5 | 85.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 750 | N | 29.9 | Very low | 31 | Very low | 167 Ų | 167 | 122.1 Ų | 122.1 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | trans | -159 | 96.2 | 149.7 | -117.9 | -27.8 | 0 | 0 | 0 | 112.9 | ||||
| 751 | C | 29.8 | Very low | 30.8 | Very low | 124 Ų | 124 | 119.8 Ų | 119.8 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | trans | -152.6 | 152.9 | 179 | -79.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 752 | P | 28.6 | Very low | 30.9 | Very low | 127 Ų | 127 | 116.3 Ų | 116.3 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | trans | -137.6 | 153.1 | 133.6 | 36.4 | -24.8 | 0 | 0 | 0 | 115.3 | ||||
| 753 | P | 28.5 | Very low | 30.8 | Very low | 118 Ų | 118 | 113.3 Ų | 113.3 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | trans | -115.3 | -152.6 | 179.8 | 39.2 | -22.4 | 0 | 0 | 0 | 111.8 | ||||
| 754 | P | 31.1 | Very low | 30.8 | Very low | 121 Ų | 121 | 113.3 Ų | 113.3 | 79% | 0.786 | 67% | 0.672 | S | S | * | * | -124.4 | 169.1 | -58.5 | 31.8 | -15.1 | 0 | 0 | 0 | 113.6 | |||||
| 755 | A | 28.1 | Very low | 30.8 | Very low | 88 Ų | 88 | 111.5 Ų | 111.5 | 73% | 0.727 | 66% | 0.655 | S | S | * | * | trans | -166 | 102.6 | 151.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 756 | D | 27.1 | Very low | 30.8 | Very low | 171 Ų | 171 | 108.1 Ų | 108.1 | 91% | 0.914 | 63% | 0.63 | S | S | * | * | trans | 2.3 | 111.8 | 151.1 | -155.9 | 11.2 | 0 | 0 | 0 | 122 | ||||
| 757 | S | 29.6 | Very low | 30.5 | Very low | 89 Ų | 89 | 105 Ų | 105 | 62% | 0.622 | 61% | 0.61 | S | S | * | * | -165.5 | 159.4 | 123.6 | 91.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 758 | D | 33 | Very low | 30.3 | Very low | 140 Ų | 140 | 103.6 Ų | 103.6 | 75% | 0.749 | 60% | 0.598 | S | S | * | * | trans | 50.1 | 84.6 | 157.4 | -52 | -51.4 | 0 | 0 | 0 | 121 | V760 | D758-V760 PolarHBondContact O-N 3.44Š| ||
| 759 | R | 30.4 | Very low | 30.2 | Very low | 177 Ų | 177 | 101.8 Ų | 101.8 | 67% | 0.668 | 59% | 0.589 | S | S | * | * | trans | -91.1 | 93.5 | 170.4 | -70.1 | -175.9 | 176.7 | -178.4 | -0.2 | 113.6 | C839 | R759-C839 WeakPolarHBondContact O-CB 3.44Š| ||
| 760 | V | 28.8 | Very low | 30.3 | Very low | 56 Ų | 56 | 104.9 Ų | 104.9 | 34% | 0.339 | 59% | 0.589 | S | S | . | * | trans | -118.1 | 117.1 | 168.3 | 169.6 | 0 | 0 | 0 | 0 | 110.2 | D758 V787 Y805 | D758-V760 PolarHBondContact O-N 3.44Å; V760-V787 WeakPolarHBondContact O-CG2 3.37Å; V760-Y805 HydrophobicContact CG1-CD2 3.54Å; V760-Y805 HydrophobicContact CG1-CE2 3.97Å; V760-Y805 HydrophobicContact CG1-CG 4.06Å; V760-Y805 HydrophobicContact CG2-CE2 4.42Å | ||
| 761 | A | 29.6 | Very low | 30.5 | Very low | 22 Ų | 22 | 104 Ų | 104 | 18% | 0.182 | 59% | 0.588 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 103.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V763 Y805 A806 | A761-V763 PolarHBondContact O-N 2.99Å; A761-Y805 VanDerWaalsContact O-CA 3.31Å; A761-Y805 WeakPolarHBondContact O-CA 3.42Å; A761-Y805 VanDerWaalsContact O-CB 3.32Å; A761-Y805 WeakPolarHBondContact O-CB 3.27Å; A761-A806 WeakPolarHBondContact CB-O 3.48Å; A761-A806 PolarHBondContact N-O 3.42Å; A761-A806 PolarHBondContact O-N 2.6Å |
| 762 | V | 31.1 | Very low | 30.4 | Very low | 32 Ų | 32 | 104.9 Ų | 104.9 | 19% | 0.194 | 59% | 0.585 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -69 | 124 | 175.9 | 178.2 | 0 | 0 | 0 | 0 | 110 | V787 V803 | V762-V787 HydrophobicContact CG2-CG2 4.39Å; V762-V803 HydrophobicContact CG1-CG1 3.68Å |
| 763 | V | 30.9 | Very low | 30.5 | Very low | 63 Ų | 63 | 106.6 Ų | 106.6 | 38% | 0.382 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 117.1 | 177.7 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | A761 K804 A806 | A761-V763 PolarHBondContact O-N 2.99Å; V763-K804 PolarHBondContact N-O 2.93Å; V763-A806 HydrophobicContact CG2-CB 4.43Å |
| 764 | W | 30.7 | Very low | 30.5 | Very low | 134 Ų | 134 | 104.6 Ų | 104.6 | 51% | 0.508 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -82.5 | 121.2 | -171.6 | -158.2 | 75.8 | 0 | 0 | 0 | 112.2 | P766 | W764-P766 HydrophobicContact CE3-CG 4.23Å; W764-P766 HydrophobicContact CH2-CB 3.72Å; W764-P766 HydrophobicContact CH2-CG 3.89Å; W764-P766 HydrophobicContact CZ2-CB 4.03Å; W764-P766 HydrophobicContact CZ3-CB 4.01Å; W764-P766 HydrophobicContact CZ3-CG 3.68Å |
| 765 | L | 31.6 | Very low | 30.6 | Very low | 85 Ų | 85 | 105 Ų | 105 | 45% | 0.445 | 59% | 0.593 | S | S | . | * | trans | -139 | 103.9 | 173.9 | -70.5 | 170.8 | 0 | 0 | 0 | 108.3 | D1035 | L765-D1035 WeakPolarHBondContact CD1-OD2 3.2Š| ||
| 766 | P | 31.6 | Very low | 30.5 | Very low | 51 Ų | 51 | 103.8 Ų | 103.8 | 33% | 0.331 | 58% | 0.577 | S | S | . | * | trans | -74.5 | 147.8 | -170.3 | 28.8 | -34.8 | 0 | 0 | 0 | 112.8 | W764 R1047 | W764-P766 HydrophobicContact CE3-CG 4.23Å; W764-P766 HydrophobicContact CH2-CB 3.72Å; W764-P766 HydrophobicContact CH2-CG 3.89Å; W764-P766 HydrophobicContact CZ2-CB 4.03Å; W764-P766 HydrophobicContact CZ3-CB 4.01Å; W764-P766 HydrophobicContact CZ3-CG 3.68Å; P766-R1047 PolarHBondContact O-NH2 2.88Å | ||
| 767 | P | 32 | Very low | 30.6 | Very low | 49 Ų | 49 | 103.1 Ų | 103.1 | 32% | 0.318 | 56% | 0.563 | S | S | . | * | trans | -64.8 | 149.2 | 147.1 | -10.9 | 28.1 | 0 | 0 | 0 | 109.6 | F1144 | P767-F1144 HydrophobicContact CB-CZ 3.99Š| ||
| 768 | L | 30.7 | Very low | 30.6 | Very low | 99 Ų | 99 | 103.2 Ų | 103.2 | 52% | 0.518 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -100 | 109.1 | 163.4 | -69.2 | 105.3 | 0 | 0 | 0 | 107.6 | P696 | P696-L768 HydrophobicContact CB-CD1 3.97Å; P696-L768 HydrophobicContact CB-CD2 3.76Å; P696-L768 HydrophobicContact CG-CD1 3.87Å; P696-L768 HydrophobicContact CG-CD2 3.94Å |
| 769 | E | 31.5 | Very low | 30.3 | Very low | 137 Ų | 137 | 101.7 Ų | 101.7 | 64% | 0.64 | 55% | 0.554 | S | S | * | * | trans | 160.2 | 149.8 | 156.4 | -89.7 | 149.1 | -150.8 | 0 | 0 | 109.1 | F1144 | E769-F1144 HydrophobicContact CB-CD2 4.25Å; E769-F1144 HydrophobicContact CB-CE1 4.4Å; E769-F1144 HydrophobicContact CB-CE2 3.68Å; E769-F1144 HydrophobicContact CB-CZ 3.76Å; E769-F1144 VanDerWaalsContact OE2-CD2 3.24Å; E769-F1144 WeakPolarHBondContact OE2-CD2 3.35Å; E769-F1144 WeakPolarHBondContact OE2-CE2 3.49Å | ||
| 770 | Q | 31.9 | Very low | 30.1 | Very low | 153 Ų | 153 | 100.4 Ų | 100.4 | 72% | 0.715 | 57% | 0.566 | S | S | * | * | trans | 60.2 | 80.9 | 175.3 | -60.1 | -171.6 | -7.4 | 0 | 0 | 118.8 | ||||
| 771 | V | 33.2 | Very low | 30 | Very low | 147 Ų | 147 | 101.7 Ų | 101.7 | 89% | 0.891 | 58% | 0.583 | S | S | * | * | -143 | 138.2 | 123.4 | -172.7 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 772 | D | 29.3 | Very low | 29.9 | Very low | 143 Ų | 143 | 108.6 Ų | 108.6 | 77% | 0.765 | 62% | 0.615 | S | S | * | * | trans | -70.5 | 156.4 | 176.8 | -54.8 | -75.1 | 0 | 0 | 0 | 112.9 | ||||
| 773 | N | 30.3 | Very low | 29.8 | Very low | 164 Ų | 164 | 117.6 Ų | 117.6 | 88% | 0.877 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 55.4 | 85.6 | 166 | -63.9 | -12.5 | 0 | 0 | 0 | 118.2 | ||
| 774 | G | 27.3 | Very low | 29.7 | Very low | 75 Ų | 75 | 124.4 Ų | 124.4 | 77% | 0.773 | 66% | 0.664 | S | S | * | * | trans | 83.7 | 79.8 | 130.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 775 | S | 33.1 | Very low | 29.7 | Very low | 129 Ų | 129 | 122 Ų | 122 | 90% | 0.902 | 66% | 0.66 | S | S | * | * | trans | -173.5 | 137.7 | 135.2 | 31.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 776 | T | 27.8 | Very low | 29.7 | Very low | 64 Ų | 64 | 121.3 Ų | 121.3 | 39% | 0.393 | 67% | 0.667 | S | S | . | * | trans | -103.9 | 147.5 | 178.3 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | V699 | V699-T776 HydrophobicContact CG2-CG2 3.91Š| ||
| 777 | Y | 28.7 | Very low | 29.8 | Very low | 156 Ų | 156 | 123.3 Ų | 123.3 | 61% | 0.612 | 68% | 0.678 | S | S | * | * | trans | -165.9 | 165.8 | 150.3 | -110.2 | -70.3 | 0 | 0 | 0 | 113.3 | K725 | K725-Y777 HydrophobicContact CB-CE1 3.59Å; K725-Y777 VanDerWaalsContact CB-OH 3.31Å; K725-Y777 WeakPolarHBondContact CB-OH 3.38Å; K725-Y777 HydrophobicContact CD-CE1 4.25Å; K725-Y777 HydrophobicContact CD-CE2 4Å; K725-Y777 WeakPolarHBondContact CD-OH 3.26Å; K725-Y777 HydrophobicContact CG-CE1 4.46Å | ||
| 778 | E | 29.8 | Very low | 29.7 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 43% | 0.425 | 70% | 0.695 | S | S | . | * | trans | -82.1 | 163 | -160.4 | -65.8 | 133.3 | 134 | 0 | 0 | 117.6 | S723 I724 K725 | S723-E778 WeakPolarHBondContact O-CG 3.42Å; I724-E778 WeakPolarHBondContact CA-OE1 3.5Å; K725-E778 PolarHBondContact N-OE1 3.39Å | ||
| 779 | S | 26.9 | Very low | 29.6 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -86 | 115.3 | 161.4 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 780 | T | 25.5 | Very low | 29.5 | Very low | 151 Ų | 151 | 123.7 Ų | 123.7 | 93% | 0.926 | 72% | 0.715 | S | S | * | * | trans | 175.7 | 45.8 | 141.9 | 32.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 781 | A | 27.8 | Very low | 29.6 | Very low | 83 Ų | 83 | 123.4 Ų | 123.4 | 69% | 0.686 | 72% | 0.718 | S | S | * | * | trans | -142 | 119.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R783 | A781-R783 HydrophobicContact CB-CG 4.47Å; A781-R783 PolarHBondContact O-N 3.15Å | ||
| 782 | I | 26.9 | Very low | 29.7 | Very low | 167 Ų | 167 | 119.9 Ų | 119.9 | 86% | 0.856 | 69% | 0.691 | S | S | * | * | trans | -78.6 | 72.3 | 166.6 | -52.2 | 177.9 | 0 | 0 | 0 | 107.8 | R784 | I782-R784 PolarHBondContact O-N 2.99Š| ||
| 783 | R | 27.8 | Very low | 30.2 | Very low | 220 Ų | 220 | 116.5 Ų | 116.5 | 83% | 0.83 | 68% | 0.678 | S | S | * | * | trans | -65.8 | 117.3 | 169.5 | -84.5 | -170.1 | 170.8 | -170.5 | -2.2 | 108.3 | A781 I785 | A781-R783 HydrophobicContact CB-CG 4.47Å; A781-R783 PolarHBondContact O-N 3.15Å; R783-I785 PolarHBondContact O-N 2.75Å | ||
| 784 | R | 29.5 | Very low | 30.9 | Very low | 207 Ų | 207 | 114.9 Ų | 114.9 | 78% | 0.781 | 67% | 0.67 | S | S | * | * | trans | -66.2 | 118.7 | 168.9 | -58.8 | 178.8 | -171 | 170.7 | 3.7 | 107.5 | I782 | I782-R784 PolarHBondContact O-N 2.99Š| ||
| 785 | I | 30.7 | Very low | 31.9 | Very low | 83 Ų | 83 | 117 Ų | 117 | 43% | 0.426 | 65% | 0.654 | S | S | . | * | trans | -105.1 | 110.9 | 171.7 | -59.1 | 178.1 | 0 | 0 | 0 | 106.9 | R783 F792 | R783-I785 PolarHBondContact O-N 2.75Å; I785-F792 HydrophobicContact CG2-CE2 4.11Å | ||
| 786 | A | 31.9 | Very low | 32.7 | Very low | 71 Ų | 71 | 119.9 Ų | 119.9 | 59% | 0.587 | 65% | 0.645 | S | S | * | * | trans | -75.3 | 128.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | G788 | A786-G788 PolarHBondContact O-N 2.91Š| ||
| 787 | V | 33.2 | Very low | 33.7 | Very low | 93 Ų | 93 | 118 Ų | 118 | 56% | 0.564 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 110.2 | 170.9 | 178.5 | 0 | 0 | 0 | 0 | 107.4 | V760 V762 | V760-V787 WeakPolarHBondContact O-CG2 3.37Å; V762-V787 HydrophobicContact CG2-CG2 4.39Å |
| 788 | G | 29.2 | Very low | 34.5 | Very low | 65 Ų | 65 | 111.7 Ų | 111.7 | 67% | 0.67 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -174.8 | -38.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A786 | A786-G788 PolarHBondContact O-N 2.91Š|
| 789 | N | 30.5 | Very low | 35.5 | Very low | 157 Ų | 157 | 109.4 Ų | 109.4 | 84% | 0.84 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -109 | 109.1 | -173.1 | -70.6 | 1.5 | 0 | 0 | 0 | 113.8 | N791 | N789-N791 PolarHBondContact O-N 3.33Š|
| 790 | G | 28.8 | Very low | 36.5 | Very low | 71 Ų | 71 | 105.8 Ų | 105.8 | 73% | 0.732 | 58% | 0.576 | S | S | * | * | S | Bend | trans | 73.1 | -68.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 791 | N | 32.8 | Very low | 37.5 | Very low | 147 Ų | 147 | 98.9 Ų | 98.9 | 79% | 0.786 | 53% | 0.534 | S | S | * | . | trans | -116 | 57.4 | -146.5 | -72.4 | -12.1 | 0 | 0 | 0 | 115.2 | N789 | N789-N791 PolarHBondContact O-N 3.33Š| ||
| 792 | F | 36.3 | Very low | 38.5 | Very low | 72 Ų | 72 | 97.9 Ų | 97.9 | 32% | 0.316 | 52% | 0.517 | S | S | . | . | trans | -129.3 | 0.2 | -177.7 | -109.7 | -84.5 | 0 | 0 | 0 | 117.6 | I785 T1152 | I785-F792 HydrophobicContact CG2-CE2 4.11Å; F792-T1152 PolarHBondContact O-OG1 2.84Å | ||
| 793 | S | 40.7 | Very low | 39.5 | Very low | 72 Ų | 72 | 90.8 Ų | 90.8 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -72.5 | 166 | 175.9 | 44.6 | 0 | 0 | 0 | 0 | 113 | R795 | S793-R795 VanDerWaalsContact C-N 3.29Å; S793-R795 PolarHBondContact O-N 3.29Å |
| 794 | N | 44.9 | Very low | 40.3 | Very low | 131 Ų | 131 | 82.1 Ų | 82.1 | 70% | 0.701 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 63.7 | -0.6 | 171 | -89.1 | -4.7 | 0 | 0 | 0 | 119.5 | R796 | N794-R796 PolarHBondContact O-N 3.38Š|
| 795 | R | 48.4 | Very low | 41.1 | Very low | 119 Ų | 119 | 73.4 Ų | 73.4 | 45% | 0.449 | 42% | 0.417 | S | S | . | . | trans | -69.1 | 126.5 | 172.9 | -67.5 | -169.7 | -176.9 | -140.7 | 3.5 | 111.1 | S793 Y797 V1151 T1152 | S793-R795 VanDerWaalsContact C-N 3.29Å; S793-R795 PolarHBondContact O-N 3.29Å; R795-Y797 HydrophobicContact CB-CE2 3.76Å; R795-Y797 WeakPolarHBondContact O-CD2 3.38Å; R795-Y797 WeakPolarHBondContact O-CE2 3.36Å; R795-V1151 WeakPolarHBondContact O-CA 3.37Å; R795-T1152 PolarHBondContact O-N 3.19Å | ||
| 796 | R | 49.5 | Very low | 41.7 | Very low | 190 Ų | 190 | 71 Ų | 71 | 72% | 0.717 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 140.9 | 176 | -65.7 | -177.1 | -172.1 | 171.5 | 4.3 | 110.9 | N794 F1149 C1150 | N794-R796 PolarHBondContact O-N 3.38Å; R796-F1149 HydrophobicContact CB-CB 4Å; R796-F1149 HydrophobicContact CB-CD1 4.09Å; R796-F1149 HydrophobicContact CB-CG 4.18Å; R796-F1149 HydrophobicContact CG-CB 4.37Å; R796-C1150 CarbonylContact C-O 3.53Å; R796-C1150 WeakPolarHBondContact CA-O 3.32Å |
| 797 | Y | 48.3 | Very low | 42.2 | Very low | 24 Ų | 24 | 69 Ų | 69 | 9% | 0.094 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 124.7 | -179.2 | -70 | -103.2 | 0 | 0 | 0 | 109.1 | R795 V803 C827 W832 F1149 C1150 T1152 | R795-Y797 HydrophobicContact CB-CE2 3.76Å; R795-Y797 WeakPolarHBondContact O-CD2 3.38Å; R795-Y797 WeakPolarHBondContact O-CE2 3.36Å; Y797-V803 HydrophobicContact CD1-CG2 3.94Å; Y797-V803 HydrophobicContact CE1-CG2 3.69Å; Y797-C827 PolarHBondContact O-SG 3.26Å; Y797-W832 AromaticContact CD1-CH2 3.66Å; Y797-W832 HydrophobicContact CD1-CH2 3.66Å; Y797-W832 HydrophobicContact CD1-CZ2 4.21Å; Y797-W832 AromaticContact CD2-CH2 3.92Å; Y797-W832 HydrophobicContact CD2-CH2 3.92Å; Y797-W832 AromaticContact CD2-CZ2 3.59Å; Y797-W832 HydrophobicContact CD2-CZ2 3.59Å; Y797-W832 HydrophobicContact CE1-CH2 4.19Å; Y797-W832 HydrophobicContact CE2-CH2 4.46Å; Y797-W832 HydrophobicContact CE2-CZ2 4.12Å; Y797-W832 AromaticContact CG-CH2 3.49Å; Y797-W832 HydrophobicContact CG-CH2 3.49Å; Y797-W832 VanDerWaalsContact CG-CH2 3.49Å; Y797-W832 AromaticContact CG-CZ2 3.66Å; Y797-W832 HydrophobicContact CG-CZ2 3.66Å; Y797-F1149 CarbonylContact O-C 3.5Å; Y797-F1149 VanDerWaalsContact O-CA 3.22Å; Y797-F1149 WeakPolarHBondContact O-CA 3.31Å; Y797-C1150 PolarHBondContact N-O 2.8Å; Y797-C1150 PolarHBondContact O-N 3.28Å; Y797-T1152 HydrophobicContact CD2-CG2 4.12Å; Y797-T1152 HydrophobicContact CE2-CG2 3.32Å |
| 798 | P | 46.3 | Very low | 42.7 | Very low | 23 Ų | 23 | 68.6 Ų | 68.6 | 15% | 0.149 | 38% | 0.383 | C | S | . | . | trans | -56.5 | 155.4 | 177.8 | -26 | 33.2 | 0 | 0 | 0 | 113.4 | S801 C827 F1144 F1149 | P798-S801 WeakPolarHBondContact CD-OG 3.34Å; P798-S801 WeakPolarHBondContact O-CB 3.44Å; P798-S801 PolarHBondContact O-N 3.41Å; P798-S801 VanDerWaalsContact O-N 3.08Å; P798-S801 PolarHBondContact O-OG 3.33Å; P798-C827 WeakPolarHBondContact O-CB 3.4Å; P798-C827 PolarHBondContact O-SG 2.87Å; P798-C827 VanDerWaalsContact O-SG 3.35Å; P798-F1144 HydrophobicContact CB-CD1 4.37Å; P798-F1144 HydrophobicContact CB-CE1 4.39Å; P798-F1144 HydrophobicContact CG-CD1 3.76Å; P798-F1144 HydrophobicContact CG-CE1 3.39Å; P798-F1144 HydrophobicContact CG-CZ 4.21Å; P798-F1149 HydrophobicContact CG-CD1 4.49Å; P798-F1149 HydrophobicContact CG-CE1 4.37Å | ||
| 799 | N | 49.5 | Very low | 43.5 | Very low | 44 Ų | 44 | 71.4 Ų | 71.4 | 24% | 0.235 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 145.4 | 170.3 | -155.7 | -5.6 | 0 | 0 | 0 | 110.7 | S801 C827 V828 D829 | N799-S801 VanDerWaalsContact C-N 3.26Å; N799-S801 PolarHBondContact O-N 3.23Å; N799-C827 PolarHBondContact OD1-O 2.99Å; N799-V828 VanDerWaalsContact OD1-CA 3.32Å; N799-V828 WeakPolarHBondContact OD1-CA 3.41Å; N799-D829 PolarHBondContact ND2-OD1 3.01Å; N799-D829 PolarHBondContact OD1-N 2.68Å |
| 800 | A | 47.7 | Very low | 43.8 | Very low | 31 Ų | 31 | 66.4 Ų | 66.4 | 26% | 0.256 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 8.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | I802 C827 | A800-I802 PolarHBondContact O-N 2.88Å; A800-C827 WeakPolarHBondContact CA-O 3.28Å; A800-C827 PolarHBondContact N-O 2.6Å |
| 801 | S | 46.7 | Very low | 44.3 | Very low | 6 Ų | 6 | 70.5 Ų | 70.5 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | trans | -61 | 123.5 | 171.9 | -65.7 | 0 | 0 | 0 | 0 | 112.2 | P798 N799 Q826 C827 | P798-S801 WeakPolarHBondContact CD-OG 3.34Å; P798-S801 WeakPolarHBondContact O-CB 3.44Å; P798-S801 PolarHBondContact O-N 3.41Å; P798-S801 VanDerWaalsContact O-N 3.08Å; P798-S801 PolarHBondContact O-OG 3.33Å; N799-S801 VanDerWaalsContact C-N 3.26Å; N799-S801 PolarHBondContact O-N 3.23Å; S801-Q826 CarbonylContact O-C 3.49Å; S801-Q826 WeakPolarHBondContact O-CA 3.29Å; S801-C827 PolarHBondContact O-N 2.02Å | ||
| 802 | I | 48.6 | Very low | 44.6 | Very low | 63 Ų | 63 | 69.1 Ų | 69.1 | 32% | 0.323 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 111.6 | 174.3 | -56.3 | 175.9 | 0 | 0 | 0 | 109 | A800 Q826 I1045 | A800-I802 PolarHBondContact O-N 2.88Å; I802-Q826 HydrophobicContact CG1-CG 4.21Å; I802-I1045 HydrophobicContact CD1-CG2 4.25Å |
| 803 | V | 48.8 | Very low | 44.4 | Very low | 17 Ų | 17 | 70.5 Ų | 70.5 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 128 | 172.8 | 173.9 | 0 | 0 | 0 | 0 | 108.8 | V762 Y797 S824 V825 W832 | V762-V803 HydrophobicContact CG1-CG1 3.68Å; Y797-V803 HydrophobicContact CD1-CG2 3.94Å; Y797-V803 HydrophobicContact CE1-CG2 3.69Å; V803-S824 CarbonylContact O-C 3.52Å; V803-S824 WeakPolarHBondContact O-CA 3.44Å; V803-S824 WeakPolarHBondContact O-CB 3.49Å; V803-V825 HydrophobicContact CB-CG2 3.8Å; V803-V825 HydrophobicContact CG1-CG2 4.35Å; V803-V825 PolarHBondContact N-O 2.91Å; V803-V825 PolarHBondContact O-N 3.15Å; V803-W832 HydrophobicContact CB-CZ3 4.33Å; V803-W832 HydrophobicContact CG2-CH2 3.67Å; V803-W832 HydrophobicContact CG2-CZ3 3.85Å |
| 804 | K | 44.8 | Very low | 44.3 | Very low | 38 Ų | 38 | 79.1 Ų | 79.1 | 17% | 0.165 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 148.1 | 175.5 | -74.4 | -178.6 | 174.9 | 177.5 | 0 | 111.4 | V763 M823 D1035 A1036 | V763-K804 PolarHBondContact N-O 2.93Å; K804-M823 CarbonylContact C-O 3.5Å; K804-M823 VanDerWaalsContact CA-O 3.23Å; K804-M823 WeakPolarHBondContact CA-O 3.34Å; K804-D1035 WeakPolarHBondContact CE-OD1 3.04Å; K804-D1035 IonicContact NZ-OD1 3.99Å; K804-D1035 PolarHBondContact NZ-OD1 2.83Å; K804-A1036 WeakPolarHBondContact CE-O 3.5Å; K804-A1036 PolarHBondContact NZ-O 2.97Å |
| 805 | Y | 45.8 | Very low | 43.8 | Very low | 25 Ų | 25 | 78 Ų | 78 | 10% | 0.098 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 161.6 | 173.9 | 65.5 | -80.8 | 0 | 0 | 0 | 111.8 | V760 A761 A822 M823 V825 | V760-Y805 HydrophobicContact CG1-CD2 3.54Å; V760-Y805 HydrophobicContact CG1-CE2 3.97Å; V760-Y805 HydrophobicContact CG1-CG 4.06Å; V760-Y805 HydrophobicContact CG2-CE2 4.42Å; A761-Y805 VanDerWaalsContact O-CA 3.31Å; A761-Y805 WeakPolarHBondContact O-CA 3.42Å; A761-Y805 VanDerWaalsContact O-CB 3.32Å; A761-Y805 WeakPolarHBondContact O-CB 3.27Å; Y805-A822 WeakPolarHBondContact O-CA 3.3Å; Y805-M823 HydrophobicContact CD1-CB 3.84Å; Y805-M823 HydrophobicContact CD2-CB 4.01Å; Y805-M823 HydrophobicContact CD2-CE 4.18Å; Y805-M823 HydrophobicContact CD2-CG 4.48Å; Y805-M823 HydrophobicContact CD2-SD 3.79Å; Y805-M823 HydrophobicContact CE1-CB 3.66Å; Y805-M823 HydrophobicContact CE1-CE 4.25Å; Y805-M823 HydrophobicContact CE2-CB 3.92Å; Y805-M823 HydrophobicContact CE2-CE 3.24Å; Y805-M823 HydrophobicContact CE2-CG 4.34Å; Y805-M823 HydrophobicContact CE2-SD 3.43Å; Y805-M823 WeakPolarHBondContact CE2-SD 3.04Å; Y805-M823 HydrophobicContact CG-CB 4.04Å; Y805-M823 PolarHBondContact N-O 3.5Å; Y805-M823 PolarHBondContact O-N 3.21Å; Y805-M823 WeakPolarHBondContact OH-CE 3.42Å; Y805-V825 HydrophobicContact CE1-CG1 3.87Å |
| 806 | A | 42.2 | Very low | 43 | Very low | 33 Ų | 33 | 74.6 Ų | 74.6 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 146.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A761 V763 | A761-A806 WeakPolarHBondContact CB-O 3.48Å; A761-A806 PolarHBondContact N-O 3.42Å; A761-A806 PolarHBondContact O-N 2.6Å; V763-A806 HydrophobicContact CG2-CB 4.43Å |
| 807 | C | 44.4 | Very low | 42.3 | Very low | 28 Ų | 28 | 74.9 Ų | 74.9 | 19% | 0.189 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -82 | 122.5 | 176.5 | -51.6 | 0 | 0 | 0 | 0 | 110.4 | P820 C839 | C807-P820 HydrophobicContact CB-CB 3.98Å; C807-P820 HydrophobicContact CB-CG 4Å; C807-C839 WeakPolarHBondContact CA-SG 2.98Å; C807-C839 HydrophobicContact CB-CB 3.69Å; C807-C839 WeakPolarHBondContact CB-SG 3.13Å; C807-C839 WeakPolarHBondContact SG-CA 3.13Å; C807-C839 WeakPolarHBondContact SG-CB 3.42Å; C807-C839 CovalentContact SG-SG 2.04Å; C807-C839 PolarHBondContact SG-SG 2.85Å |
| 808 | Q | 41.7 | Very low | 41.9 | Very low | 85 Ų | 85 | 78.9 Ų | 78.9 | 40% | 0.397 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 131.5 | 176.4 | -177.4 | 170.4 | -12.4 | 0 | 0 | 110.1 | ||
| 809 | R | 46.1 | Very low | 41.4 | Very low | 124 Ų | 124 | 87.9 Ų | 87.9 | 47% | 0.468 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 141.3 | 174 | -74.8 | -175.6 | 172.6 | 178.5 | -3 | 110.5 | E811 A816 R817 Q818 | R809-E811 PolarHBondContact O-N 3.06Å; R809-A816 PolarHBondContact NH2-O 2.92Å; R809-R817 PolarHBondContact NH2-O 3.46Å; R809-Q818 PolarHBondContact NE-O 3.25Å; R809-Q818 PolarHBondContact NH2-O 3.18Å |
| 810 | P | 38.3 | Very low | 40.9 | Very low | 52 Ų | 52 | 89.3 Ų | 89.3 | 34% | 0.338 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 128.7 | 159.1 | -18.8 | 31.8 | 0 | 0 | 0 | 109.4 | T812 | P810-T812 PolarHBondContact O-N 3.4Š|
| 811 | E | 38.5 | Very low | 40.4 | Very low | 157 Ų | 157 | 93.2 Ų | 93.2 | 73% | 0.734 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -5.9 | -179 | -64.5 | 179.2 | 151 | 0 | 0 | 112.3 | R809 | R809-E811 PolarHBondContact O-N 3.06Š|
| 812 | T | 40 | Very low | 40.1 | Very low | 117 Ų | 117 | 96.1 Ų | 96.1 | 72% | 0.718 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -13 | -177 | 46.3 | 0 | 0 | 0 | 0 | 115.2 | P810 | P810-T812 PolarHBondContact O-N 3.4Š|
| 813 | N | 32.1 | Very low | 40.2 | Very low | 102 Ų | 102 | 93.7 Ų | 93.7 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | trans | -132.5 | 94.2 | -168.6 | -152.1 | -32.5 | 0 | 0 | 0 | 113 | S815 | N813-S815 PolarHBondContact O-N 2.84Š| ||
| 814 | R | 38.4 | Very low | 40.1 | Very low | 253 Ų | 253 | 93 Ų | 93 | 96% | 0.955 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -10.4 | -176 | -71.3 | -175.3 | 175 | -174.2 | -1.7 | 114.5 | ||
| 815 | S | 33.8 | Very low | 40.4 | Very low | 106 Ų | 106 | 91.8 Ų | 91.8 | 74% | 0.741 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -13.4 | -168.3 | -50.2 | 0 | 0 | 0 | 0 | 115.2 | N813 R817 | N813-S815 PolarHBondContact O-N 2.84Å; S815-R817 PolarHBondContact O-N 2.94Å |
| 816 | A | 31.8 | Very low | 40.6 | Very low | 48 Ų | 48 | 92.7 Ų | 92.7 | 40% | 0.397 | 46% | 0.463 | S | S | . | . | trans | -87.8 | 104.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R809 Q818 | R809-A816 PolarHBondContact NH2-O 2.92Å; A816-Q818 PolarHBondContact O-N 3.34Å | ||
| 817 | R | 35.5 | Very low | 41.2 | Very low | 196 Ų | 196 | 91.1 Ų | 91.1 | 74% | 0.74 | 45% | 0.45 | S | S | * | . | trans | -67.6 | -28.8 | -175.7 | -83 | -173.9 | 170.7 | -173.6 | -3 | 115.5 | R809 S815 | R809-R817 PolarHBondContact NH2-O 3.46Å; S815-R817 PolarHBondContact O-N 2.94Å | ||
| 818 | Q | 38.6 | Very low | 41.6 | Very low | 109 Ų | 109 | 91.9 Ų | 91.9 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | trans | -76.1 | 154.4 | -165.9 | -69.5 | 179.9 | -11.5 | 0 | 0 | 115.2 | R809 A816 | R809-Q818 PolarHBondContact NE-O 3.25Å; R809-Q818 PolarHBondContact NH2-O 3.18Å; A816-Q818 PolarHBondContact O-N 3.34Å | ||
| 819 | R | 35.7 | Very low | 42.1 | Very low | 211 Ų | 211 | 91.6 Ų | 91.6 | 80% | 0.796 | 46% | 0.455 | S | S | * | . | trans | -114.8 | 122 | 168.9 | -67.4 | -177.2 | -177.5 | -177 | 1.7 | 108.6 | Q821 | R819-Q821 PolarHBondContact O-N 2.65Š| ||
| 820 | P | 38.4 | Very low | 42.3 | Very low | 74 Ų | 74 | 87.1 Ų | 87.1 | 48% | 0.481 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 130.3 | 164.9 | -24.8 | 36.9 | 0 | 0 | 0 | 109.6 | C807 | C807-P820 HydrophobicContact CB-CB 3.98Å; C807-P820 HydrophobicContact CB-CG 4Å |
| 821 | Q | 39.1 | Very low | 42.7 | Very low | 114 Ų | 114 | 93.2 Ų | 93.2 | 53% | 0.533 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 155.4 | 179.2 | -85.3 | 169.7 | -43.1 | 0 | 0 | 111.1 | R819 M823 H990 R1089 | R819-Q821 PolarHBondContact O-N 2.65Å; Q821-M823 PolarHBondContact O-N 2.85Å; Q821-H990 PolarHBondContact OE1-CE1 2.83Å; Q821-R1089 VanDerWaalsContact OE1-CZ 3.24Å |
| 822 | A | 39.7 | Very low | 43.4 | Very low | 67 Ų | 67 | 88.2 Ų | 88.2 | 55% | 0.554 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 127.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y805 | Y805-A822 WeakPolarHBondContact O-CA 3.3Š|
| 823 | M | 49.5 | Very low | 43.8 | Very low | 12 Ų | 12 | 86.2 Ų | 86.2 | 6% | 0.059 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 171.5 | -179.5 | -53.1 | 167.3 | 61.8 | 0 | 0 | 109.8 | K804 Y805 Q821 L836 R837 | K804-M823 CarbonylContact C-O 3.5Å; K804-M823 VanDerWaalsContact CA-O 3.23Å; K804-M823 WeakPolarHBondContact CA-O 3.34Å; Y805-M823 HydrophobicContact CD1-CB 3.84Å; Y805-M823 HydrophobicContact CD2-CB 4.01Å; Y805-M823 HydrophobicContact CD2-CE 4.18Å; Y805-M823 HydrophobicContact CD2-CG 4.48Å; Y805-M823 HydrophobicContact CD2-SD 3.79Å; Y805-M823 HydrophobicContact CE1-CB 3.66Å; Y805-M823 HydrophobicContact CE1-CE 4.25Å; Y805-M823 HydrophobicContact CE2-CB 3.92Å; Y805-M823 HydrophobicContact CE2-CE 3.24Å; Y805-M823 HydrophobicContact CE2-CG 4.34Å; Y805-M823 HydrophobicContact CE2-SD 3.43Å; Y805-M823 WeakPolarHBondContact CE2-SD 3.04Å; Y805-M823 HydrophobicContact CG-CB 4.04Å; Y805-M823 PolarHBondContact N-O 3.5Å; Y805-M823 PolarHBondContact O-N 3.21Å; Y805-M823 WeakPolarHBondContact OH-CE 3.42Å; Q821-M823 PolarHBondContact O-N 2.85Å; M823-L836 WeakPolarHBondContact CE-O 3.04Å; M823-R837 WeakPolarHBondContact CE-O 3.41Å |
| 824 | S | 48.3 | Very low | 44.4 | Very low | 3 Ų | 3 | 83.7 Ų | 83.7 | 2% | 0.021 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 162.4 | 175 | 66.2 | 0 | 0 | 0 | 0 | 115.4 | V803 L835 | V803-S824 CarbonylContact O-C 3.52Å; V803-S824 WeakPolarHBondContact O-CA 3.44Å; V803-S824 WeakPolarHBondContact O-CB 3.49Å; S824-L835 PolarHBondContact N-O 2.99Å; S824-L835 VanDerWaalsContact N-O 3.15Å; S824-L835 CarbonylContact O-C 3.56Å; S824-L835 WeakPolarHBondContact O-CA 3.37Å; S824-L835 WeakPolarHBondContact O-CB 3.47Å; S824-L835 PolarHBondContact O-N 3.48Å |
| 825 | V | 51.3 | Low | 44.6 | Very low | 11 Ų | 11 | 72.3 Ų | 72.3 | 7% | 0.067 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129.3 | 167.3 | -69.4 | 0 | 0 | 0 | 0 | 107.6 | V803 Y805 W832 I833 W1154 | V803-V825 HydrophobicContact CB-CG2 3.8Å; V803-V825 HydrophobicContact CG1-CG2 4.35Å; V803-V825 PolarHBondContact N-O 2.91Å; V803-V825 PolarHBondContact O-N 3.15Å; Y805-V825 HydrophobicContact CE1-CG1 3.87Å; V825-W832 HydrophobicContact CB-CE3 4Å; V825-W832 HydrophobicContact CG2-CD2 4.46Å; V825-W832 HydrophobicContact CG2-CE3 3.72Å; V825-W832 HydrophobicContact CG2-CZ3 3.93Å; V825-I833 CarbonylContact C-O 3.54Å; V825-I833 WeakPolarHBondContact CA-O 3.4Å; V825-W1154 HydrophobicContact CG2-CH2 3.73Å; V825-W1154 HydrophobicContact CG2-CZ2 4.39Å |
| 826 | Q | 49.1 | Very low | 44.7 | Very low | 45 Ų | 45 | 70 Ų | 70 | 21% | 0.21 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 126 | 177.3 | -173.8 | -176.5 | -33.3 | 0 | 0 | 108.8 | S801 I802 V828 I833 L835 | S801-Q826 CarbonylContact O-C 3.49Å; S801-Q826 WeakPolarHBondContact O-CA 3.29Å; I802-Q826 HydrophobicContact CG1-CG 4.21Å; Q826-V828 HydrophobicContact CB-CG2 4.36Å; Q826-V828 HydrophobicContact CG-CG2 3.82Å; Q826-V828 PolarHBondContact O-N 3.31Å; Q826-I833 PolarHBondContact N-O 3.34Å; Q826-I833 PolarHBondContact O-N 2.7Å; Q826-L835 HydrophobicContact CB-CD1 4.19Å |
| 827 | C | 54.9 | Low | 45 | Very low | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 120.9 | 164.3 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | Y797 P798 N799 A800 S801 W832 C1150 | Y797-C827 PolarHBondContact O-SG 3.26Å; P798-C827 WeakPolarHBondContact O-CB 3.4Å; P798-C827 PolarHBondContact O-SG 2.87Å; P798-C827 VanDerWaalsContact O-SG 3.35Å; N799-C827 PolarHBondContact OD1-O 2.99Å; A800-C827 WeakPolarHBondContact CA-O 3.28Å; A800-C827 PolarHBondContact N-O 2.6Å; S801-C827 PolarHBondContact O-N 2.02Å; C827-W832 HydrophobicContact CB-CE3 4.23Å; C827-W832 HydrophobicContact CB-CZ3 4.02Å; C827-C1150 WeakPolarHBondContact CA-SG 3.29Å; C827-C1150 HydrophobicContact CB-CB 3.83Å; C827-C1150 WeakPolarHBondContact CB-SG 3.48Å; C827-C1150 WeakPolarHBondContact SG-CB 3.04Å; C827-C1150 PolarHBondContact SG-N 3.22Å; C827-C1150 VanDerWaalsContact SG-N 3.41Å; C827-C1150 CovalentContact SG-SG 2.02Å; C827-C1150 PolarHBondContact SG-SG 2.85Å |
| 828 | V | 52.5 | Low | 44.9 | Very low | 43 Ų | 43 | 67.2 Ų | 67.2 | 26% | 0.261 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 117.9 | 173 | -176.6 | 0 | 0 | 0 | 0 | 107.6 | N799 Q826 G830 R831 I833 | N799-V828 VanDerWaalsContact OD1-CA 3.32Å; N799-V828 WeakPolarHBondContact OD1-CA 3.41Å; Q826-V828 HydrophobicContact CB-CG2 4.36Å; Q826-V828 HydrophobicContact CG-CG2 3.82Å; Q826-V828 PolarHBondContact O-N 3.31Å; V828-G830 VanDerWaalsContact C-N 3.26Å; V828-G830 PolarHBondContact O-N 2.6Å; V828-R831 PolarHBondContact N-O 3.09Å; V828-R831 PolarHBondContact O-N 3.33Å; V828-R831 VanDerWaalsContact O-O 3.11Å; V828-I833 HydrophobicContact CB-CD1 3.63Å; V828-I833 HydrophobicContact CB-CG1 4.01Å; V828-I833 HydrophobicContact CG1-CD1 4.07Å; V828-I833 HydrophobicContact CG2-CB 4.46Å; V828-I833 HydrophobicContact CG2-CD1 3.75Å; V828-I833 HydrophobicContact CG2-CG1 4.12Å |
| 829 | D | 52.2 | Low | 44.9 | Very low | 80 Ų | 80 | 63.5 Ų | 63.5 | 43% | 0.428 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 41.4 | 174.6 | -84.7 | 36.5 | 0 | 0 | 0 | 114.3 | N799 R831 K1148 | N799-D829 PolarHBondContact ND2-OD1 3.01Å; N799-D829 PolarHBondContact OD1-N 2.68Å; D829-R831 VanDerWaalsContact C-N 3.25Å; D829-R831 PolarHBondContact O-N 3.32Å; D829-K1148 HydrophobicContact CB-CD 3.69Å; D829-K1148 WeakPolarHBondContact O-CD 3.32Å; D829-K1148 IonicContact OD2-NZ 3.9Å; D829-K1148 PolarHBondContact OD2-NZ 2.89Å |
| 830 | G | 51 | Low | 44.8 | Very low | 30 Ų | 30 | 61.4 Ų | 61.4 | 31% | 0.309 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 3.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | V828 K1148 F1149 C1150 | V828-G830 VanDerWaalsContact C-N 3.26Å; V828-G830 PolarHBondContact O-N 2.6Å; G830-K1148 PolarHBondContact N-O 2.93Å; G830-F1149 WeakPolarHBondContact CA-O 3.07Å; G830-C1150 VanDerWaalsContact CA-SG 3.5Å |
| 831 | R | 46.9 | Very low | 44.5 | Very low | 180 Ų | 180 | 60.3 Ų | 60.3 | 68% | 0.679 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 144.9 | 173.7 | -60.6 | -177.1 | -179.4 | 178.4 | 2.4 | 111.5 | V828 D829 I833 C1150 | V828-R831 PolarHBondContact N-O 3.09Å; V828-R831 PolarHBondContact O-N 3.33Å; V828-R831 VanDerWaalsContact O-O 3.11Å; D829-R831 VanDerWaalsContact C-N 3.25Å; D829-R831 PolarHBondContact O-N 3.32Å; R831-I833 PolarHBondContact O-N 2.84Å; R831-C1150 PolarHBondContact N-SG 3.5Å; R831-C1150 PolarHBondContact O-SG 3.2Å |
| 832 | W | 53.4 | Low | 44 | Very low | 52 Ų | 52 | 61 Ų | 61 | 20% | 0.197 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 111.1 | 169.2 | -66.7 | 111 | 0 | 0 | 0 | 110.1 | Y797 V803 V825 C827 C1150 V1151 T1152 W1154 | Y797-W832 AromaticContact CD1-CH2 3.66Å; Y797-W832 HydrophobicContact CD1-CH2 3.66Å; Y797-W832 HydrophobicContact CD1-CZ2 4.21Å; Y797-W832 AromaticContact CD2-CH2 3.92Å; Y797-W832 HydrophobicContact CD2-CH2 3.92Å; Y797-W832 AromaticContact CD2-CZ2 3.59Å; Y797-W832 HydrophobicContact CD2-CZ2 3.59Å; Y797-W832 HydrophobicContact CE1-CH2 4.19Å; Y797-W832 HydrophobicContact CE2-CH2 4.46Å; Y797-W832 HydrophobicContact CE2-CZ2 4.12Å; Y797-W832 AromaticContact CG-CH2 3.49Å; Y797-W832 HydrophobicContact CG-CH2 3.49Å; Y797-W832 VanDerWaalsContact CG-CH2 3.49Å; Y797-W832 AromaticContact CG-CZ2 3.66Å; Y797-W832 HydrophobicContact CG-CZ2 3.66Å; V803-W832 HydrophobicContact CB-CZ3 4.33Å; V803-W832 HydrophobicContact CG2-CH2 3.67Å; V803-W832 HydrophobicContact CG2-CZ3 3.85Å; V825-W832 HydrophobicContact CB-CE3 4Å; V825-W832 HydrophobicContact CG2-CD2 4.46Å; V825-W832 HydrophobicContact CG2-CE3 3.72Å; V825-W832 HydrophobicContact CG2-CZ3 3.93Å; C827-W832 HydrophobicContact CB-CE3 4.23Å; C827-W832 HydrophobicContact CB-CZ3 4.02Å; W832-C1150 HydrophobicContact CD2-CB 4.02Å; W832-C1150 HydrophobicContact CG-CB 4.45Å; W832-C1150 HydrophobicContact CH2-CB 4.44Å; W832-C1150 HydrophobicContact CZ2-CB 3.89Å; W832-V1151 PolarHBondContact NE1-O 2.97Å; W832-T1152 HydrophobicContact CZ2-CG2 4.06Å; W832-W1154 HydrophobicContact CB-CH2 4.45Å; W832-W1154 HydrophobicContact CB-CZ2 3.86Å; W832-W1154 AromaticContact CD1-CH2 3.88Å; W832-W1154 AromaticContact CD1-CZ2 3.55Å; W832-W1154 AromaticContact CD2-CH2 3.58Å; W832-W1154 HydrophobicContact CD2-CH2 3.58Å; W832-W1154 AromaticContact CD2-CZ2 3.87Å; W832-W1154 HydrophobicContact CD2-CZ2 3.87Å; W832-W1154 AromaticContact CE2-CH2 3.63Å; W832-W1154 HydrophobicContact CE3-CH2 4.1Å; W832-W1154 AromaticContact CG-CH2 3.75Å; W832-W1154 HydrophobicContact CG-CH2 3.75Å; W832-W1154 AromaticContact CG-CZ2 3.49Å; W832-W1154 HydrophobicContact CG-CZ2 3.49Å; W832-W1154 VanDerWaalsContact CG-CZ2 3.49Å; W832-W1154 HydrophobicContact CZ2-CH2 4.17Å; W832-W1154 AromaticContact NE1-CH2 3.81Å; W832-W1154 AromaticContact NE1-CZ2 3.94Å |
| 833 | I | 46.9 | Very low | 43.6 | Very low | 75 Ų | 75 | 64.1 Ų | 64.1 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 124.9 | 168.6 | -60.2 | -169.9 | 0 | 0 | 0 | 108.4 | V825 Q826 V828 R831 | V825-I833 CarbonylContact C-O 3.54Å; V825-I833 WeakPolarHBondContact CA-O 3.4Å; Q826-I833 PolarHBondContact N-O 3.34Å; Q826-I833 PolarHBondContact O-N 2.7Å; V828-I833 HydrophobicContact CB-CD1 3.63Å; V828-I833 HydrophobicContact CB-CG1 4.01Å; V828-I833 HydrophobicContact CG1-CD1 4.07Å; V828-I833 HydrophobicContact CG2-CB 4.46Å; V828-I833 HydrophobicContact CG2-CD1 3.75Å; V828-I833 HydrophobicContact CG2-CG1 4.12Å; R831-I833 PolarHBondContact O-N 2.84Å |
| 834 | A | 45.3 | Very low | 42.6 | Very low | 49 Ų | 49 | 67.3 Ų | 67.3 | 41% | 0.405 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 134.3 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 835 | L | 41.9 | Very low | 41.7 | Very low | 13 Ų | 13 | 76.6 Ų | 76.6 | 7% | 0.068 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 98.2 | 170.7 | -64.2 | 171.7 | 0 | 0 | 0 | 108.1 | S824 Q826 | S824-L835 PolarHBondContact N-O 2.99Å; S824-L835 VanDerWaalsContact N-O 3.15Å; S824-L835 CarbonylContact O-C 3.56Å; S824-L835 WeakPolarHBondContact O-CA 3.37Å; S824-L835 WeakPolarHBondContact O-CB 3.47Å; S824-L835 PolarHBondContact O-N 3.48Å; Q826-L835 HydrophobicContact CB-CD1 4.19Å |
| 836 | L | 37.6 | Very low | 40.5 | Very low | 57 Ų | 57 | 84.8 Ų | 84.8 | 30% | 0.298 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 92.4 | 164.5 | 174.1 | -49.1 | 166.4 | 0 | 0 | 0 | 117.6 | M823 | M823-L836 WeakPolarHBondContact CE-O 3.04Š|
| 837 | R | 36.7 | Very low | 39.4 | Very low | 121 Ų | 121 | 90.9 Ų | 90.9 | 46% | 0.457 | 45% | 0.453 | S | S | . | . | trans | -75.1 | 132.1 | -154.3 | -58.3 | 169.9 | 175.7 | 150 | -3 | 117.7 | M823 V973 | M823-R837 WeakPolarHBondContact CE-O 3.41Å; R837-V973 HydrophobicContact CG-CB 4.33Å | ||
| 838 | P | 34.6 | Very low | 38 | Very low | 65 Ų | 65 | 98.7 Ų | 98.7 | 42% | 0.422 | 49% | 0.49 | S | S | . | . | trans | -54.8 | 153.1 | -177.8 | 24.3 | -35.4 | 0 | 0 | 0 | 115.4 | F840 | P838-F840 HydrophobicContact CG-CE2 4.34Å; P838-F840 PolarHBondContact O-N 3.04Å | ||
| 839 | C | 37.6 | Very low | 36.6 | Very low | 32 Ų | 32 | 102.1 Ų | 102.1 | 22% | 0.216 | 51% | 0.513 | C | S | . | . | trans | -73.9 | 76.5 | -171.7 | -67 | 0 | 0 | 0 | 0 | 114.4 | R759 C807 | R759-C839 WeakPolarHBondContact O-CB 3.44Å; C807-C839 WeakPolarHBondContact CA-SG 2.98Å; C807-C839 HydrophobicContact CB-CB 3.69Å; C807-C839 WeakPolarHBondContact CB-SG 3.13Å; C807-C839 WeakPolarHBondContact SG-CA 3.13Å; C807-C839 WeakPolarHBondContact SG-CB 3.42Å; C807-C839 CovalentContact SG-SG 2.04Å; C807-C839 PolarHBondContact SG-SG 2.85Å | ||
| 840 | F | 33.2 | Very low | 35.3 | Very low | 166 Ų | 166 | 104 Ų | 104 | 73% | 0.728 | 53% | 0.528 | S | S | * | . | trans | -62.3 | 140.3 | 170 | -87.8 | -93.4 | 0 | 0 | 0 | 112.8 | P838 | P838-F840 HydrophobicContact CG-CE2 4.34Å; P838-F840 PolarHBondContact O-N 3.04Å | ||
| 841 | S | 32.5 | Very low | 34.1 | Very low | 51 Ų | 51 | 110.1 Ų | 110.1 | 36% | 0.357 | 55% | 0.552 | S | S | . | * | trans | -77.2 | 153.2 | 162.3 | 115.5 | 0 | 0 | 0 | 0 | 109.7 | E843 S844 | S841-E843 PolarHBondContact O-N 3.49Å; S841-E843 WeakPolarHBondContact OG-CB 3.44Å; S841-E843 PolarHBondContact OG-N 2.96Å; S841-E843 PolarHBondContact OG-OE2 2.9Å; S841-S844 PolarHBondContact O-OG 2.86Å | ||
| 842 | M | 29.7 | Very low | 33 | Very low | 128 Ų | 128 | 112.7 Ų | 112.7 | 63% | 0.631 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -80.8 | 2.3 | 176 | -69.4 | -125.9 | -77.3 | 0 | 0 | 113.4 | ||
| 843 | E | 30 | Very low | 31.6 | Very low | 133 Ų | 133 | 121.2 Ų | 121.2 | 62% | 0.621 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -80.8 | -18 | 178.2 | -64.8 | 144.5 | 151.4 | 0 | 0 | 111.9 | S841 R845 | S841-E843 PolarHBondContact O-N 3.49Å; S841-E843 WeakPolarHBondContact OG-CB 3.44Å; S841-E843 PolarHBondContact OG-N 2.96Å; S841-E843 PolarHBondContact OG-OE2 2.9Å; E843-R845 PolarHBondContact O-N 3.24Å; E843-R845 VanDerWaalsContact O-N 3.16Å |
| 844 | S | 29.2 | Very low | 30.5 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 55% | 0.552 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -79 | 15.5 | 174.6 | 75.3 | 0 | 0 | 0 | 0 | 114.4 | S841 | S841-S844 PolarHBondContact O-OG 2.86Š|
| 845 | R | 28.2 | Very low | 29.6 | Very low | 199 Ų | 199 | 130.3 Ų | 130.3 | 75% | 0.751 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -103.7 | 12.2 | -178.4 | -84.2 | -172.6 | 165.7 | -162.3 | -7.3 | 114.8 | E843 | E843-R845 PolarHBondContact O-N 3.24Å; E843-R845 VanDerWaalsContact O-N 3.16Å |
| 846 | Q | 26.6 | Very low | 28.7 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 85% | 0.85 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -104.4 | 26.7 | 178.3 | -71 | -161.8 | -30.5 | 0 | 0 | 114.7 | ||
| 847 | L | 26.1 | Very low | 28.2 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 91% | 0.906 | 69% | 0.689 | S | S | * | * | trans | -131.2 | 40.2 | 177.6 | -81.2 | 169.2 | 0 | 0 | 0 | 113.2 | ||||
| 848 | E | 25.3 | Very low | 27.7 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 77% | 0.771 | 70% | 0.699 | S | S | * | * | trans | -84.8 | 122.3 | 154.5 | -76.6 | -168.8 | 155.1 | 0 | 0 | 109.2 | T850 | E848-T850 PolarHBondContact O-N 2.87Š| ||
| 849 | P | 24.5 | Very low | 27.4 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 75% | 0.747 | 71% | 0.713 | S | S | * | * | trans | -74.9 | 92.4 | 170.4 | 30.6 | -32.2 | 0 | 0 | 0 | 108.8 | I851 | P849-I851 VanDerWaalsContact C-N 3.3Å; P849-I851 PolarHBondContact O-N 3.42Å | ||
| 850 | T | 25 | Very low | 26.9 | Very low | 120 Ų | 120 | 147 Ų | 147 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | trans | -67 | 87.7 | 175.5 | 48.8 | 0 | 0 | 0 | 0 | 110.8 | E848 R852 | E848-T850 PolarHBondContact O-N 2.87Å; T850-R852 PolarHBondContact O-N 3.43Å | ||
| 851 | I | 24.3 | Very low | 26.8 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | trans | -68.4 | 84.7 | 168.6 | -56.7 | 175.3 | 0 | 0 | 0 | 108 | P849 | P849-I851 VanDerWaalsContact C-N 3.3Å; P849-I851 PolarHBondContact O-N 3.42Å | ||
| 852 | R | 25.2 | Very low | 26.8 | Very low | 235 Ų | 235 | 149 Ų | 149 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | trans | -125.8 | 127.5 | 160.7 | -72.2 | -165.2 | 172.8 | -152.7 | -2.3 | 108.9 | T850 | T850-R852 PolarHBondContact O-N 3.43Š| ||
| 853 | R | 23.6 | Very low | 26.9 | Very low | 230 Ų | 230 | 148.3 Ų | 148.3 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | -68.4 | 154.8 | 179 | -68.3 | 171.8 | 176 | 164.5 | -3.6 | 109.8 | ||||
| 854 | F | 23.3 | Very low | 27 | Very low | 202 Ų | 202 | 146.8 Ų | 146.8 | 89% | 0.886 | 77% | 0.771 | S | S | * | * | trans | 9.2 | 130 | 158.2 | -62.6 | -95.1 | 0 | 0 | 0 | 117.1 | ||||
| 855 | S | 25.9 | Very low | 27.2 | Very low | 113 Ų | 113 | 150.5 Ų | 150.5 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | -152.4 | -178 | 58.4 | 60.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 856 | M | 24.1 | Very low | 27.3 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -58.7 | 167.6 | 154.5 | -65.6 | 119.2 | 99.7 | 0 | 0 | 110.7 | ||||
| 857 | E | 26 | Very low | 27.4 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | cis | -159.3 | -175.7 | 30.8 | -146.1 | 140.3 | -123.3 | 0 | 0 | 114.4 | ||||
| 858 | S | 26.7 | Very low | 27.6 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | trans | -25.9 | 161.3 | 164.6 | 59.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 859 | S | 27.4 | Very low | 27.8 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | cis | 179.1 | -162.2 | -6.4 | 53.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 860 | V | 28.6 | Very low | 28.3 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 74.4 | 134.3 | 165.7 | 178.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 861 | S | 30.1 | Very low | 28.6 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | cis | -160.6 | 176.1 | -20.1 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 862 | I | 34 | Very low | 29 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -131.7 | 144.2 | -178.6 | -59.7 | 166 | 0 | 0 | 0 | 109.7 | ||||
| 863 | P | 31.4 | Very low | 29.3 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | trans | -125.6 | 127.8 | 138.4 | 11.4 | 9.4 | 0 | 0 | 0 | 110.7 | ||||
| 864 | S | 30.8 | Very low | 29.5 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | cis | 91.6 | 118.9 | 36.6 | 76 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 865 | L | 33.2 | Very low | 29.8 | Very low | 157 Ų | 157 | 127 Ų | 127 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -171.1 | 104.6 | 152.9 | -94.3 | 172.7 | 0 | 0 | 0 | 106 | ||||
| 866 | L | 30.6 | Very low | 29.7 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | 67.3 | 140.7 | 98 | -65.6 | -171.3 | 0 | 0 | 0 | 115.4 | |||||
| 867 | S | 28.6 | Very low | 29.9 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | cis | -173.1 | -179.2 | -10.6 | 49 | 0 | 0 | 0 | 0 | 112 | ||||
| 868 | V | 31.8 | Very low | 30.1 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | 75 | 115.2 | 167.2 | -169.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 869 | S | 28.6 | Very low | 30.5 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | cis | 113.3 | 106.9 | 7.8 | 80.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 870 | S | 35.7 | Very low | 31.2 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -154.3 | 145.4 | 150.9 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 871 | L | 29.6 | Very low | 31.8 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | trans | -125.7 | 159.4 | -170.6 | -103.7 | 160.3 | 0 | 0 | 0 | 107.9 | ||||
| 872 | P | 33.9 | Very low | 32.8 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | -146.6 | 169.7 | 71.1 | 33 | -10.7 | 0 | 0 | 0 | 117.1 | |||||
| 873 | P | 31.1 | Very low | 33.2 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | trans | -104.3 | 164.2 | -178.8 | 39.9 | -32.7 | 0 | 0 | 0 | 113.6 | ||||
| 874 | I | 27.9 | Very low | 33.8 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | trans | -159.2 | 144.5 | 157.8 | -119.7 | 156.9 | 0 | 0 | 0 | 114.8 | ||||
| 875 | V | 28.8 | Very low | 34.2 | Very low | 133 Ų | 133 | 140 Ų | 140 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | trans | 64.2 | 114.4 | 164.7 | 173.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 876 | R | 25.2 | Very low | 34.6 | Very low | 235 Ų | 235 | 136 Ų | 136 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | trans | -81.8 | 172.2 | 162.2 | -68.3 | 173.7 | 169.1 | 171.3 | -5.1 | 111.5 | ||||
| 877 | R | 26.9 | Very low | 34.7 | Very low | 252 Ų | 252 | 139 Ų | 139 | 95% | 0.951 | 70% | 0.703 | S | S | * | * | trans | 87.6 | 100.7 | 174.4 | -57.3 | 176.9 | 169.2 | 175.9 | -3 | 116 | ||||
| 878 | S | 30.2 | Very low | 34.9 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 55% | 0.552 | 69% | 0.691 | S | S | * | * | trans | -161.8 | 124 | 157.6 | 178.9 | 0 | 0 | 0 | 0 | 109.9 | R880 | S878-R880 VanDerWaalsContact C-N 3.29Å; S878-R880 PolarHBondContact O-N 3.41Å | ||
| 879 | R | 36.7 | Very low | 34.8 | Very low | 224 Ų | 224 | 136.9 Ų | 136.9 | 85% | 0.845 | 69% | 0.694 | S | S | * | * | trans | -76.9 | 71 | -178 | -63.5 | 178.8 | -178.3 | 167.1 | -1.1 | 111 | ||||
| 880 | R | 40.5 | Very low | 35.3 | Very low | 198 Ų | 198 | 137.3 Ų | 137.3 | 75% | 0.747 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 126.2 | -175.7 | -85.9 | 179.1 | -91.2 | -163.6 | -5 | 112.7 | S878 | S878-R880 VanDerWaalsContact C-N 3.29Å; S878-R880 PolarHBondContact O-N 3.41Å |
| 881 | C | 43.1 | Very low | 35.2 | Very low | 24 Ų | 24 | 138.1 Ų | 138.1 | 16% | 0.162 | 67% | 0.668 | C | S | . | * | P | Polyproline II helix | trans | -66.7 | 131.2 | 161.9 | -57.2 | 0 | 0 | 0 | 0 | 109.7 | C923 W928 | C881-C923 HydrophobicContact CB-CB 3.8Å; C881-C923 WeakPolarHBondContact CB-SG 3.07Å; C881-C923 VanDerWaalsContact SG-CA 3.58Å; C881-C923 WeakPolarHBondContact SG-CB 3.47Å; C881-C923 CovalentContact SG-SG 2.03Å; C881-C923 PolarHBondContact SG-SG 3.44Å; C881-W928 HydrophobicContact CB-CD2 4.11Å; C881-W928 HydrophobicContact CB-CH2 3.98Å; C881-W928 HydrophobicContact CB-CZ2 3.52Å; C881-W928 HydrophobicContact CB-CZ3 4.45Å |
| 882 | L | 49.1 | Very low | 35.5 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 78% | 0.775 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 171.4 | 173.1 | -70.5 | 167.1 | 0 | 0 | 0 | 110.7 | W928 | L882-W928 WeakPolarHBondContact O-CZ2 3.04Å; L882-W928 PolarHBondContact O-NE1 3.32Å |
| 883 | K | 43 | Very low | 35.6 | Very low | 182 Ų | 182 | 129.4 Ų | 129.4 | 79% | 0.791 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 129 | -176.2 | -162.9 | -178.8 | -174.7 | -173.3 | 0 | 111.3 | ||
| 884 | P | 43.7 | Very low | 35.8 | Very low | 38 Ų | 38 | 126.2 Ų | 126.2 | 25% | 0.247 | 60% | 0.602 | C | S | . | * | P | Polyproline II helix | trans | -67.9 | 142.5 | -177.2 | 27.2 | -34.7 | 0 | 0 | 0 | 112.3 | I886 | P884-I886 HydrophobicContact CG-CD1 4.41Š|
| 885 | D | 39.8 | Very low | 36.1 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 63% | 0.631 | 58% | 0.578 | S | S | * | * | trans | -82.9 | 114.6 | 172.3 | -174.6 | 21.3 | 0 | 0 | 0 | 109.2 | R887 | D885-R887 IonicContact OD1-NE 2.7Å; D885-R887 IonicContact OD2-CZ 2.75Å; D885-R887 VanDerWaalsContact OD2-CZ 3.29Å; D885-R887 IonicContact OD2-NE 3.11Å; D885-R887 PolarHBondContact OD2-NE 3.17Å; D885-R887 IonicContact OD2-NH2 2.73Å; D885-R887 PolarHBondContact OD2-NH2 3.42Å | ||
| 886 | I | 40.9 | Very low | 36.5 | Very low | 71 Ų | 71 | 121.1 Ų | 121.1 | 36% | 0.364 | 56% | 0.561 | S | S | . | * | trans | -114.9 | 99.5 | -174.1 | -61.1 | 165.8 | 0 | 0 | 0 | 108.8 | P884 V892 | P884-I886 HydrophobicContact CG-CD1 4.41Å; I886-V892 HydrophobicContact CD1-CG1 4.24Å; I886-V892 HydrophobicContact CG2-CB 4.45Å; I886-V892 HydrophobicContact CG2-CG2 4.38Å | ||
| 887 | R | 32.9 | Very low | 37 | Very low | 218 Ų | 218 | 114.4 Ų | 114.4 | 82% | 0.823 | 55% | 0.55 | S | S | * | . | trans | -100.9 | 74.2 | -178.8 | -59.6 | -175 | -165.9 | -176.9 | 5.4 | 111.9 | D885 | D885-R887 IonicContact OD1-NE 2.7Å; D885-R887 IonicContact OD2-CZ 2.75Å; D885-R887 VanDerWaalsContact OD2-CZ 3.29Å; D885-R887 IonicContact OD2-NE 3.11Å; D885-R887 PolarHBondContact OD2-NE 3.17Å; D885-R887 IonicContact OD2-NH2 2.73Å; D885-R887 PolarHBondContact OD2-NH2 3.42Å | ||
| 888 | A | 33.5 | Very low | 37.4 | Very low | 49 Ų | 49 | 111 Ų | 111 | 41% | 0.405 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -152.3 | 147.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W890 | A888-W890 VanDerWaalsContact CB-CD1 3.49Å; A888-W890 PolarHBondContact O-N 3.46Å |
| 889 | P | 30.3 | Very low | 37.5 | Very low | 127 Ų | 127 | 112 Ų | 112 | 83% | 0.825 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -78.3 | 21.1 | -171.5 | 34 | -38.8 | 0 | 0 | 0 | 114.9 | ||
| 890 | W | 38.1 | Very low | 37.2 | Very low | 116 Ų | 116 | 111.8 Ų | 111.8 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -107.7 | 147.5 | -174.6 | -37.1 | 90.8 | 0 | 0 | 0 | 110.8 | A888 V892 | A888-W890 VanDerWaalsContact CB-CD1 3.49Å; A888-W890 PolarHBondContact O-N 3.46Å; W890-V892 HydrophobicContact CB-CG2 4.48Å; W890-V892 PolarHBondContact O-N 3.17Å |
| 891 | Q | 33.4 | Very low | 36.8 | Very low | 146 Ų | 146 | 106.4 Ų | 106.4 | 68% | 0.682 | 55% | 0.554 | S | S | * | * | trans | -68.7 | 90.8 | 170.3 | -76.4 | -175 | -19.6 | 0 | 0 | 110.9 | S913 | Q891-S913 WeakPolarHBondContact O-CB 3.39Å; Q891-S913 PolarHBondContact O-N 3.43Å; Q891-S913 PolarHBondContact OE1-OG 2.92Å | ||
| 892 | V | 35.6 | Very low | 36.2 | Very low | 35 Ų | 35 | 112.7 Ų | 112.7 | 21% | 0.212 | 59% | 0.586 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.5 | 103.9 | 171.7 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | I886 W890 A894 V910 | I886-V892 HydrophobicContact CD1-CG1 4.24Å; I886-V892 HydrophobicContact CG2-CB 4.45Å; I886-V892 HydrophobicContact CG2-CG2 4.38Å; W890-V892 HydrophobicContact CB-CG2 4.48Å; W890-V892 PolarHBondContact O-N 3.17Å; V892-A894 PolarHBondContact O-N 2.73Å; V892-V910 HydrophobicContact CG1-CG1 3.56Å |
| 893 | V | 36.2 | Very low | 35.4 | Very low | 57 Ų | 57 | 115.1 Ų | 115.1 | 35% | 0.345 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 104.4 | 179.2 | -169.3 | 0 | 0 | 0 | 0 | 108.9 | Y895 R911 | V893-Y895 HydrophobicContact CB-CD2 4.46Å; V893-Y895 HydrophobicContact CB-CE2 3.75Å; V893-Y895 HydrophobicContact CG1-CD2 4.1Å; V893-Y895 HydrophobicContact CG1-CE1 4.04Å; V893-Y895 HydrophobicContact CG1-CE2 3.46Å; V893-Y895 VanDerWaalsContact CG1-CE2 3.46Å; V893-Y895 VanDerWaalsContact CG1-CZ 3.43Å; V893-Y895 VanDerWaalsContact O-CD2 3.31Å; V893-Y895 WeakPolarHBondContact O-CD2 3.41Å; V893-R911 PolarHBondContact N-O 2.83Å; V893-R911 PolarHBondContact O-N 3.45Å |
| 894 | A | 35.1 | Very low | 34.9 | Very low | 36 Ų | 36 | 110.5 Ų | 110.5 | 30% | 0.298 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.6 | 114.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V892 F896 | V892-A894 PolarHBondContact O-N 2.73Å; A894-F896 HydrophobicContact CB-CE2 3.79Å; A894-F896 HydrophobicContact CB-CZ 4.22Å |
| 895 | Y | 35.3 | Very low | 34.4 | Very low | 88 Ų | 88 | 114 Ų | 114 | 35% | 0.345 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.4 | 128.7 | 180 | -66.4 | -89.6 | 0 | 0 | 0 | 110.9 | V893 Q909 R911 | V893-Y895 HydrophobicContact CB-CD2 4.46Å; V893-Y895 HydrophobicContact CB-CE2 3.75Å; V893-Y895 HydrophobicContact CG1-CD2 4.1Å; V893-Y895 HydrophobicContact CG1-CE1 4.04Å; V893-Y895 HydrophobicContact CG1-CE2 3.46Å; V893-Y895 VanDerWaalsContact CG1-CE2 3.46Å; V893-Y895 VanDerWaalsContact CG1-CZ 3.43Å; V893-Y895 VanDerWaalsContact O-CD2 3.31Å; V893-Y895 WeakPolarHBondContact O-CD2 3.41Å; Y895-Q909 PolarHBondContact N-O 3.26Å; Y895-Q909 VanDerWaalsContact N-O 3.09Å; Y895-Q909 PolarHBondContact O-N 2.86Å; Y895-R911 HydrophobicContact CD2-CB 4.18Å; Y895-R911 HydrophobicContact CE2-CB 4.02Å; Y895-R911 VanDerWaalsContact CZ-NH1 3.27Å; Y895-R911 PolarHBondContact OH-NH1 3.33Å |
| 896 | F | 38.1 | Very low | 34.3 | Very low | 103 Ų | 103 | 114 Ų | 114 | 45% | 0.452 | 62% | 0.619 | S | S | . | * | trans | -119.3 | 90.1 | 179.3 | -62.4 | -86.9 | 0 | 0 | 0 | 110.3 | A894 P908 | A894-F896 HydrophobicContact CB-CE2 3.79Å; A894-F896 HydrophobicContact CB-CZ 4.22Å; F896-P908 HydrophobicContact CE1-CB 4.15Å | ||
| 897 | S | 35.4 | Very low | 34.3 | Very low | 94 Ų | 94 | 117 Ų | 117 | 66% | 0.657 | 63% | 0.63 | S | S | * | * | trans | -86.4 | 111.6 | 178 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | S899 | S897-S899 PolarHBondContact O-N 3.23Š| ||
| 898 | H | 34.2 | Very low | 34.8 | Very low | 179 Ų | 179 | 107.2 Ų | 107.2 | 83% | 0.829 | 59% | 0.594 | S | S | * | * | trans | -84.4 | 91.6 | 169.3 | -83.7 | -106.6 | 0 | 0 | 0 | 110.8 | ||||
| 899 | S | 33.1 | Very low | 35.5 | Very low | 100 Ų | 100 | 107.3 Ų | 107.3 | 70% | 0.699 | 59% | 0.586 | S | S | * | * | trans | -83.3 | 127.4 | 168.5 | 49.4 | 0 | 0 | 0 | 0 | 111.2 | S897 A901 | S897-S899 PolarHBondContact O-N 3.23Å; S899-A901 VanDerWaalsContact C-N 3.34Å; S899-A901 PolarHBondContact O-N 3.39Å | ||
| 900 | K | 30.6 | Very low | 36.4 | Very low | 221 Ų | 221 | 101.9 Ų | 101.9 | 96% | 0.961 | 55% | 0.55 | S | S | * | * | trans | -78.9 | 77.3 | 172.2 | -72.4 | -175.6 | 175.4 | 178.9 | 0 | 110.7 | ||||
| 901 | A | 31.1 | Very low | 36.7 | Very low | 84 Ų | 84 | 99.4 Ų | 99.4 | 69% | 0.694 | 54% | 0.541 | S | S | * | . | trans | -153.9 | 150.5 | 167 | 0 | 0 | 0 | 0 | 0 | 112.3 | S899 | S899-A901 VanDerWaalsContact C-N 3.34Å; S899-A901 PolarHBondContact O-N 3.39Å | ||
| 902 | N | 31.1 | Very low | 37.4 | Very low | 157 Ų | 157 | 92.7 Ų | 92.7 | 84% | 0.84 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -26.8 | 142.6 | -178 | -72 | -34.7 | 0 | 0 | 0 | 119.5 | ||
| 903 | K | 33.1 | Very low | 37.7 | Very low | 199 Ų | 199 | 94 Ų | 94 | 87% | 0.865 | 52% | 0.521 | S | S | * | . | S | Bend | trans | 68.4 | 59.6 | 158.5 | -62.1 | 179.9 | -179.4 | -179.8 | 0 | 118.3 | V905 | K903-V905 PolarHBondContact O-N 3.01Å; K903-V905 VanDerWaalsContact O-N 3.08Å |
| 904 | G | 30.9 | Very low | 38.1 | Very low | 85 Ų | 85 | 96.2 Ų | 96.2 | 88% | 0.876 | 54% | 0.535 | S | S | * | . | 74.4 | 9 | 119.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 905 | V | 33.2 | Very low | 38.6 | Very low | 112 Ų | 112 | 96.8 Ų | 96.8 | 68% | 0.679 | 53% | 0.533 | S | S | * | . | trans | -124 | 95.2 | 178.4 | -171.8 | 0 | 0 | 0 | 0 | 112.3 | K903 K907 | K903-V905 PolarHBondContact O-N 3.01Å; K903-V905 VanDerWaalsContact O-N 3.08Å; V905-K907 HydrophobicContact CG1-CG 4.07Å; V905-K907 PolarHBondContact O-N 2.04Å | ||
| 906 | V | 37.9 | Very low | 39.2 | Very low | 116 Ų | 116 | 98.3 Ų | 98.3 | 70% | 0.703 | 55% | 0.547 | S | S | * | . | trans | -81 | 113.9 | 170.6 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 907 | K | 41.6 | Very low | 39.6 | Very low | 136 Ų | 136 | 97.7 Ų | 97.7 | 59% | 0.591 | 55% | 0.547 | S | S | * | . | trans | -103.2 | 111.5 | 173.7 | -59.2 | 177.7 | -174.9 | 172.9 | 0 | 109.1 | V905 W920 | V905-K907 HydrophobicContact CG1-CG 4.07Å; V905-K907 PolarHBondContact O-N 2.04Å; K907-W920 HydrophobicContact CB-CE3 4.3Å; K907-W920 HydrophobicContact CD-CE3 4.44Å | ||
| 908 | P | 43.7 | Very low | 40.2 | Very low | 11 Ų | 11 | 95.9 Ų | 95.9 | 7% | 0.071 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 138.3 | 173.1 | -13.9 | 28.1 | 0 | 0 | 0 | 110.4 | F896 T921 W928 | F896-P908 HydrophobicContact CE1-CB 4.15Å; P908-T921 HydrophobicContact CB-CG2 4.19Å; P908-T921 HydrophobicContact CG-CG2 4.15Å; P908-W928 HydrophobicContact CG-CH2 3.57Å; P908-W928 HydrophobicContact CG-CZ3 3.56Å |
| 909 | Q | 48 | Very low | 40.8 | Very low | 52 Ų | 52 | 88.7 Ų | 88.7 | 24% | 0.243 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 119.2 | 170.6 | -70.9 | -173.6 | -18.4 | 0 | 0 | 109.8 | Y895 W920 | Y895-Q909 PolarHBondContact N-O 3.26Å; Y895-Q909 VanDerWaalsContact N-O 3.09Å; Y895-Q909 PolarHBondContact O-N 2.86Å; Q909-W920 HydrophobicContact CG-CE3 4.12Å; Q909-W920 HydrophobicContact CG-CH2 4.37Å; Q909-W920 HydrophobicContact CG-CZ3 3.78Å |
| 910 | V | 48.8 | Very low | 41.6 | Very low | 12 Ų | 12 | 90.6 Ų | 90.6 | 7% | 0.073 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.6 | 169.1 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | V892 T918 S919 T921 L931 | V892-V910 HydrophobicContact CG1-CG1 3.56Å; V910-T918 CarbonylContact O-C 3.54Å; V910-T918 WeakPolarHBondContact O-CA 3.04Å; V910-S919 PolarHBondContact N-O 3.01Å; V910-S919 VanDerWaalsContact N-O 3.07Å; V910-S919 PolarHBondContact O-N 2.96Å; V910-T921 HydrophobicContact CG2-CG2 4.44Å; V910-L931 HydrophobicContact CG1-CD2 4.12Å |
| 911 | R | 44.7 | Very low | 42.6 | Very low | 65 Ų | 65 | 80.6 Ų | 80.6 | 25% | 0.245 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 122 | 178 | -167.9 | -176.8 | -62.8 | 161.2 | 2.9 | 110.4 | V893 Y895 N916 L917 T918 | V893-R911 PolarHBondContact N-O 2.83Å; V893-R911 PolarHBondContact O-N 3.45Å; Y895-R911 HydrophobicContact CD2-CB 4.18Å; Y895-R911 HydrophobicContact CE2-CB 4.02Å; Y895-R911 VanDerWaalsContact CZ-NH1 3.27Å; Y895-R911 PolarHBondContact OH-NH1 3.33Å; R911-N916 WeakPolarHBondContact CD-OD1 3.42Å; R911-L917 WeakPolarHBondContact CA-O 3.39Å; R911-T918 HydrophobicContact CB-CG2 4.31Å; R911-T918 HydrophobicContact CG-CG2 4.15Å |
| 912 | C | 48.2 | Very low | 43.5 | Very low | 4 Ų | 4 | 83.9 Ų | 83.9 | 3% | 0.027 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 125.4 | 168.6 | -55.5 | 0 | 0 | 0 | 0 | 108.5 | T914 N915 N916 L917 L935 C936 | C912-T914 VanDerWaalsContact C-N 3.27Å; C912-T914 PolarHBondContact O-N 2.04Å; C912-N915 WeakPolarHBondContact CB-OD1 3.31Å; C912-N916 PolarHBondContact O-N 3.24Å; C912-L917 PolarHBondContact N-O 3.38Å; C912-L935 PolarHBondContact SG-O 2.93Å; C912-C936 HydrophobicContact CB-CB 4.11Å; C912-C936 WeakPolarHBondContact CB-SG 3.43Å; C912-C936 VanDerWaalsContact SG-CA 3.56Å; C912-C936 WeakPolarHBondContact SG-CB 3.39Å; C912-C936 CovalentContact SG-SG 2.05Å; C912-C936 PolarHBondContact SG-SG 3.01Å |
| 913 | S | 42.6 | Very low | 44.6 | Very low | 63 Ų | 63 | 79.2 Ų | 79.2 | 44% | 0.441 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -35.1 | -176.9 | 178.6 | 0 | 0 | 0 | 0 | 113.7 | Q891 | Q891-S913 WeakPolarHBondContact O-CB 3.39Å; Q891-S913 PolarHBondContact O-N 3.43Å; Q891-S913 PolarHBondContact OE1-OG 2.92Å |
| 914 | T | 44.4 | Very low | 45.6 | Very low | 104 Ų | 104 | 74.5 Ų | 74.5 | 64% | 0.638 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -32.7 | -169 | 47.5 | 0 | 0 | 0 | 0 | 115.4 | C912 | C912-T914 VanDerWaalsContact C-N 3.27Å; C912-T914 PolarHBondContact O-N 2.04Å |
| 915 | N | 45.8 | Very low | 46.7 | Very low | 48 Ų | 48 | 73.9 Ų | 73.9 | 26% | 0.257 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | 2.3 | -167.8 | 61.3 | 4 | 0 | 0 | 0 | 113.8 | C912 L917 A939 | C912-N915 WeakPolarHBondContact CB-OD1 3.31Å; N915-L917 HydrophobicContact CB-CG 4.44Å; N915-L917 WeakPolarHBondContact ND2-CD1 3.44Å; N915-L917 PolarHBondContact O-N 2.9Å; N915-L917 PolarHBondContact OD1-N 3.36Å; N915-A939 WeakPolarHBondContact ND2-CB 3.32Å |
| 916 | N | 46.7 | Very low | 47.8 | Very low | 119 Ų | 119 | 70.4 Ų | 70.4 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | trans | 61.5 | 8.4 | 177.2 | -145.8 | 32 | 0 | 0 | 0 | 114.7 | R911 C912 | R911-N916 WeakPolarHBondContact CD-OD1 3.42Å; C912-N916 PolarHBondContact O-N 3.24Å | ||
| 917 | L | 47.2 | Very low | 48.3 | Very low | 90 Ų | 90 | 75 Ų | 75 | 47% | 0.471 | 40% | 0.402 | S | S | . | . | trans | -66 | 136.3 | 175 | -67.4 | -177.2 | 0 | 0 | 0 | 110 | R911 C912 N915 L935 | R911-L917 WeakPolarHBondContact CA-O 3.39Å; C912-L917 PolarHBondContact N-O 3.38Å; N915-L917 HydrophobicContact CB-CG 4.44Å; N915-L917 WeakPolarHBondContact ND2-CD1 3.44Å; N915-L917 PolarHBondContact O-N 2.9Å; N915-L917 PolarHBondContact OD1-N 3.36Å; L917-L935 HydrophobicContact CB-CD2 3.81Å; L917-L935 HydrophobicContact CD1-CD2 4.36Å | ||
| 918 | T | 47.2 | Very low | 49.1 | Very low | 57 Ų | 57 | 72.2 Ų | 72.2 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.4 | 178.8 | 48.5 | 0 | 0 | 0 | 0 | 110.9 | V910 R911 | V910-T918 CarbonylContact O-C 3.54Å; V910-T918 WeakPolarHBondContact O-CA 3.04Å; R911-T918 HydrophobicContact CB-CG2 4.31Å; R911-T918 HydrophobicContact CG-CG2 4.15Å |
| 919 | S | 46.5 | Very low | 50 | Low | 27 Ų | 27 | 74.1 Ų | 74.1 | 19% | 0.189 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 149.5 | 170.6 | -168.1 | 0 | 0 | 0 | 0 | 111.5 | V910 | V910-S919 PolarHBondContact N-O 3.01Å; V910-S919 VanDerWaalsContact N-O 3.07Å; V910-S919 PolarHBondContact O-N 2.96Å |
| 920 | W | 50 | Low | 50.2 | Low | 141 Ų | 141 | 80.8 Ų | 80.8 | 53% | 0.534 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 99.2 | -176.6 | -50.2 | 91.3 | 0 | 0 | 0 | 109.6 | K907 Q909 | K907-W920 HydrophobicContact CB-CE3 4.3Å; K907-W920 HydrophobicContact CD-CE3 4.44Å; Q909-W920 HydrophobicContact CG-CE3 4.12Å; Q909-W920 HydrophobicContact CG-CH2 4.37Å; Q909-W920 HydrophobicContact CG-CZ3 3.78Å |
| 921 | T | 53.1 | Low | 50.4 | Low | 11 Ų | 11 | 84 Ų | 84 | 7% | 0.067 | 45% | 0.449 | C | S | . | . | trans | -77.9 | 139.3 | 169.4 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | P908 V910 W928 S929 | P908-T921 HydrophobicContact CB-CG2 4.19Å; P908-T921 HydrophobicContact CG-CG2 4.15Å; V910-T921 HydrophobicContact CG2-CG2 4.44Å; T921-W928 HydrophobicContact CG2-CE3 3.76Å; T921-W928 HydrophobicContact CG2-CZ3 4.01Å; T921-S929 WeakPolarHBondContact CA-OG 3.03Å; T921-S929 PolarHBondContact OG1-O 2.81Å; T921-S929 VanDerWaalsContact OG1-O 3.06Å; T921-S929 PolarHBondContact OG1-OG 3.36Å | ||
| 922 | K | 49.4 | Very low | 50.8 | Low | 153 Ų | 153 | 84.7 Ų | 84.7 | 67% | 0.665 | 46% | 0.457 | S | S | * | . | trans | -104.2 | 128.4 | 173.7 | -70.6 | 178.9 | -179.4 | 172.3 | 0 | 109.4 | V924 S929 | K922-V924 HydrophobicContact CB-CG2 3.9Å; K922-V924 PolarHBondContact O-N 2.47Å; K922-S929 PolarHBondContact N-OG 3.03Å; K922-S929 PolarHBondContact O-N 2.84Å | ||
| 923 | C | 53.5 | Low | 50.9 | Low | 59 Ų | 59 | 90.6 Ų | 90.6 | 40% | 0.399 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 115.6 | 161.5 | 176.2 | 0 | 0 | 0 | 0 | 108.5 | C881 R927 W928 | C881-C923 HydrophobicContact CB-CB 3.8Å; C881-C923 WeakPolarHBondContact CB-SG 3.07Å; C881-C923 VanDerWaalsContact SG-CA 3.58Å; C881-C923 WeakPolarHBondContact SG-CB 3.47Å; C881-C923 CovalentContact SG-SG 2.03Å; C881-C923 PolarHBondContact SG-SG 3.44Å; C923-R927 CarbonylContact C-O 3.53Å; C923-R927 WeakPolarHBondContact CA-O 3.48Å; C923-W928 HydrophobicContact CB-CE3 4.05Å; C923-W928 HydrophobicContact CB-CH2 4.26Å; C923-W928 HydrophobicContact CB-CZ3 3.74Å |
| 924 | V | 55.2 | Low | 51.3 | Low | 100 Ų | 100 | 91.6 Ų | 91.6 | 61% | 0.606 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131 | 125.7 | 177.9 | -174 | 0 | 0 | 0 | 0 | 108.9 | K922 G926 R927 | K922-V924 HydrophobicContact CB-CG2 3.9Å; K922-V924 PolarHBondContact O-N 2.47Å; V924-G926 PolarHBondContact O-N 2.82Å; V924-R927 PolarHBondContact N-O 3.01Å; V924-R927 PolarHBondContact O-N 3.14Å |
| 925 | G | 54 | Low | 51.6 | Low | 71 Ų | 71 | 88.6 Ų | 88.6 | 73% | 0.732 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | -2.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 926 | G | 55.6 | Low | 51.8 | Low | 39 Ų | 39 | 87.8 Ų | 87.8 | 40% | 0.402 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.5 | -0.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V924 | V924-G926 PolarHBondContact O-N 2.82Š|
| 927 | R | 49.3 | Very low | 51.7 | Low | 214 Ų | 214 | 87.2 Ų | 87.2 | 81% | 0.808 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 151 | 167.5 | -69.8 | -176.3 | 176.9 | 177.9 | -1 | 110.7 | C923 V924 | C923-R927 CarbonylContact C-O 3.53Å; C923-R927 WeakPolarHBondContact CA-O 3.48Å; V924-R927 PolarHBondContact N-O 3.01Å; V924-R927 PolarHBondContact O-N 3.14Å |
| 928 | W | 58.3 | Low | 51.5 | Low | 77 Ų | 77 | 89.4 Ų | 89.4 | 29% | 0.292 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 144.1 | 162.6 | -66.4 | 113.2 | 0 | 0 | 0 | 109.6 | C881 L882 P908 T921 C923 | C881-W928 HydrophobicContact CB-CD2 4.11Å; C881-W928 HydrophobicContact CB-CH2 3.98Å; C881-W928 HydrophobicContact CB-CZ2 3.52Å; C881-W928 HydrophobicContact CB-CZ3 4.45Å; L882-W928 WeakPolarHBondContact O-CZ2 3.04Å; L882-W928 PolarHBondContact O-NE1 3.32Å; P908-W928 HydrophobicContact CG-CH2 3.57Å; P908-W928 HydrophobicContact CG-CZ3 3.56Å; T921-W928 HydrophobicContact CG2-CE3 3.76Å; T921-W928 HydrophobicContact CG2-CZ3 4.01Å; C923-W928 HydrophobicContact CB-CE3 4.05Å; C923-W928 HydrophobicContact CB-CH2 4.26Å; C923-W928 HydrophobicContact CB-CZ3 3.74Å |
| 929 | S | 62.4 | Low | 51 | Low | 51 Ų | 51 | 88.4 Ų | 88.4 | 36% | 0.357 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 143 | 161.4 | 65.3 | 0 | 0 | 0 | 0 | 109.4 | T921 K922 | T921-S929 WeakPolarHBondContact CA-OG 3.03Å; T921-S929 PolarHBondContact OG1-O 2.81Å; T921-S929 VanDerWaalsContact OG1-O 3.06Å; T921-S929 PolarHBondContact OG1-OG 3.36Å; K922-S929 PolarHBondContact N-OG 3.03Å; K922-S929 PolarHBondContact O-N 2.84Å |
| 930 | E | 52.1 | Low | 50.3 | Low | 192 Ų | 192 | 89.9 Ų | 89.9 | 90% | 0.897 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 144.6 | 177.1 | -73.1 | 176.2 | 137.2 | 0 | 0 | 111.7 | ||
| 931 | L | 51.9 | Low | 49.6 | Very low | 78 Ų | 78 | 88.4 Ų | 88.4 | 41% | 0.408 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 129.2 | 164.1 | -92.3 | 71.3 | 0 | 0 | 0 | 107.5 | V910 E933 | V910-L931 HydrophobicContact CG1-CD2 4.12Å; L931-E933 PolarHBondContact O-N 3.3Å |
| 932 | D | 54.6 | Low | 48.7 | Very low | 80 Ų | 80 | 94.9 Ų | 94.9 | 43% | 0.428 | 52% | 0.52 | S | S | . | . | trans | -62.5 | 103.5 | 162.2 | 174.4 | 23.5 | 0 | 0 | 0 | 109 | N934 L935 | D932-N934 PolarHBondContact O-N 2.84Å; D932-N934 VanDerWaalsContact OD1-CB 3.23Å; D932-N934 WeakPolarHBondContact OD1-CB 3.4Å; D932-N934 PolarHBondContact OD1-N 2.8Å; D932-N934 VanDerWaalsContact OD1-N 3.1Å; D932-N934 PolarHBondContact OD1-ND2 3.38Å; D932-L935 HydrophobicContact CB-CB 4.27Å; D932-L935 HydrophobicContact CB-CD1 4.24Å; D932-L935 WeakPolarHBondContact O-CB 3.16Å; D932-L935 PolarHBondContact O-N 3.42Å | ||
| 933 | E | 48.6 | Very low | 48 | Very low | 128 Ų | 128 | 93 Ų | 93 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.9 | 179.8 | -61.8 | -162.7 | 127.8 | 0 | 0 | 112.2 | L931 L935 K937 | L931-E933 PolarHBondContact O-N 3.3Å; E933-L935 PolarHBondContact O-N 2.72Å; E933-K937 HydrophobicContact CB-CD 4.02Å; E933-K937 WeakPolarHBondContact O-CB 3.31Å; E933-K937 VanDerWaalsContact O-CG 3.23Å; E933-K937 WeakPolarHBondContact O-CG 3.42Å; E933-K937 PolarHBondContact O-N 3.01Å; E933-K937 VanDerWaalsContact O-N 3.17Å; E933-K937 IonicContact OE1-NZ 3.92Å; E933-K937 IonicContact OE2-NZ 2.6Å; E933-K937 PolarHBondContact OE2-NZ 3.3Å |
| 934 | N | 50.8 | Low | 47.2 | Very low | 85 Ų | 85 | 95.1 Ų | 95.1 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -24.2 | -179.4 | -53.7 | -69.1 | 0 | 0 | 0 | 111.9 | D932 C936 K937 N938 | D932-N934 PolarHBondContact O-N 2.84Å; D932-N934 VanDerWaalsContact OD1-CB 3.23Å; D932-N934 WeakPolarHBondContact OD1-CB 3.4Å; D932-N934 PolarHBondContact OD1-N 2.8Å; D932-N934 VanDerWaalsContact OD1-N 3.1Å; D932-N934 PolarHBondContact OD1-ND2 3.38Å; N934-C936 VanDerWaalsContact C-N 3.34Å; N934-C936 PolarHBondContact O-N 3.15Å; N934-K937 PolarHBondContact O-N 3.03Å; N934-N938 WeakPolarHBondContact O-CB 2.77Å; N934-N938 PolarHBondContact O-N 2.95Å |
| 935 | L | 51.4 | Low | 46.3 | Very low | 40 Ų | 40 | 97.9 Ų | 97.9 | 21% | 0.209 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -69.8 | -25.9 | -171.4 | -147.9 | 147.2 | 0 | 0 | 0 | 113.6 | C912 L917 D932 E933 | C912-L935 PolarHBondContact SG-O 2.93Å; L917-L935 HydrophobicContact CB-CD2 3.81Å; L917-L935 HydrophobicContact CD1-CD2 4.36Å; D932-L935 HydrophobicContact CB-CB 4.27Å; D932-L935 HydrophobicContact CB-CD1 4.24Å; D932-L935 WeakPolarHBondContact O-CB 3.16Å; D932-L935 PolarHBondContact O-N 3.42Å; E933-L935 PolarHBondContact O-N 2.72Å |
| 936 | C | 49.2 | Very low | 45.9 | Very low | 32 Ų | 32 | 100.1 Ų | 100.1 | 22% | 0.216 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -106.5 | -20.7 | 162.6 | -49.8 | 0 | 0 | 0 | 0 | 113.6 | C912 N934 A939 | C912-C936 HydrophobicContact CB-CB 4.11Å; C912-C936 WeakPolarHBondContact CB-SG 3.43Å; C912-C936 VanDerWaalsContact SG-CA 3.56Å; C912-C936 WeakPolarHBondContact SG-CB 3.39Å; C912-C936 CovalentContact SG-SG 2.05Å; C912-C936 PolarHBondContact SG-SG 3.01Å; N934-C936 VanDerWaalsContact C-N 3.34Å; N934-C936 PolarHBondContact O-N 3.15Å; C936-A939 WeakPolarHBondContact O-CB 3.36Å |
| 937 | K | 46 | Very low | 45.7 | Very low | 106 Ų | 106 | 107.1 Ų | 107.1 | 46% | 0.461 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.7 | -36.1 | 178.9 | -74.7 | 172.4 | 176.9 | 178.3 | 0 | 113.3 | E933 N934 A939 | E933-K937 HydrophobicContact CB-CD 4.02Å; E933-K937 WeakPolarHBondContact O-CB 3.31Å; E933-K937 VanDerWaalsContact O-CG 3.23Å; E933-K937 WeakPolarHBondContact O-CG 3.42Å; E933-K937 PolarHBondContact O-N 3.01Å; E933-K937 VanDerWaalsContact O-N 3.17Å; E933-K937 IonicContact OE1-NZ 3.92Å; E933-K937 IonicContact OE2-NZ 2.6Å; E933-K937 PolarHBondContact OE2-NZ 3.3Å; N934-K937 PolarHBondContact O-N 3.03Å; K937-A939 PolarHBondContact O-N 2.8Å |
| 938 | N | 42.4 | Very low | 46 | Very low | 137 Ų | 137 | 106.6 Ų | 106.6 | 73% | 0.733 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 36.2 | -176.3 | -66.6 | -8.8 | 0 | 0 | 0 | 113.4 | N934 | N934-N938 WeakPolarHBondContact O-CB 2.77Å; N934-N938 PolarHBondContact O-N 2.95Å |
| 939 | A | 35.8 | Very low | 46.4 | Very low | 35 Ų | 35 | 103.5 Ų | 103.5 | 29% | 0.289 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | 10.2 | -162.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | N915 C936 K937 | N915-A939 WeakPolarHBondContact ND2-CB 3.32Å; C936-A939 WeakPolarHBondContact O-CB 3.36Å; K937-A939 PolarHBondContact O-N 2.8Å |
| 940 | S | 33.2 | Very low | 46.9 | Very low | 59 Ų | 59 | 102.5 Ų | 102.5 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | trans | -137.9 | 92.4 | -178.6 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 941 | S | 34.1 | Very low | 48.2 | Very low | 109 Ų | 109 | 93.3 Ų | 93.3 | 76% | 0.762 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -72.1 | -16.8 | 151.9 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 942 | D | 34.1 | Very low | 49.4 | Very low | 147 Ų | 147 | 94 Ų | 94 | 79% | 0.786 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -104.3 | 11.5 | -166.2 | -60.5 | 1.3 | 0 | 0 | 0 | 112.7 | ||
| 943 | Q | 35.1 | Very low | 50.4 | Low | 113 Ų | 113 | 90.2 Ų | 90.2 | 53% | 0.528 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -77.5 | 133.2 | 164.7 | -86.7 | -175.3 | -12.7 | 0 | 0 | 109.4 | L945 | Q943-L945 PolarHBondContact O-N 3.4Š|
| 944 | P | 36.2 | Very low | 51.3 | Low | 105 Ų | 105 | 86 Ų | 86 | 68% | 0.682 | 46% | 0.456 | S | S | * | . | trans | -64.8 | 123.9 | 168.1 | 28.2 | -32.2 | 0 | 0 | 0 | 108.6 | I946 | P944-I946 PolarHBondContact O-N 2.84Š| ||
| 945 | L | 38.2 | Very low | 51.7 | Low | 158 Ų | 158 | 83.3 Ų | 83.3 | 83% | 0.827 | 44% | 0.443 | S | S | * | . | trans | -57.7 | 108.3 | 166.9 | -76 | 163.6 | 0 | 0 | 0 | 108.3 | Q943 R947 | Q943-L945 PolarHBondContact O-N 3.4Å; L945-R947 WeakPolarHBondContact O-CG 2.83Å; L945-R947 PolarHBondContact O-N 3.07Å | ||
| 946 | I | 45.6 | Very low | 52 | Low | 118 Ų | 118 | 87.6 Ų | 87.6 | 61% | 0.605 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 118 | 171.9 | -58 | 170 | 0 | 0 | 0 | 106.7 | P944 | P944-I946 PolarHBondContact O-N 2.84Š|
| 947 | R | 50.5 | Low | 52.8 | Low | 186 Ų | 186 | 90.6 Ų | 90.6 | 70% | 0.702 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -90.1 | 148.6 | 179 | -50.5 | -176.5 | -176.4 | -162.9 | 1 | 109.5 | L945 G949 D950 | L945-R947 WeakPolarHBondContact O-CG 2.83Å; L945-R947 PolarHBondContact O-N 3.07Å; R947-G949 PolarHBondContact O-N 2.68Å; R947-D950 WeakPolarHBondContact CB-OD2 3.31Å; R947-D950 PolarHBondContact N-OD2 3.39Å; R947-D950 WeakPolarHBondContact O-CB 3.46Å; R947-D950 PolarHBondContact O-N 2.88Å; R947-D950 VanDerWaalsContact O-N 3.1Å |
| 948 | E | 55.1 | Low | 53.9 | Low | 202 Ų | 202 | 86.2 Ų | 86.2 | 94% | 0.944 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 123.4 | 163 | -63.5 | -174.5 | 127.1 | 0 | 0 | 108.4 | ||
| 949 | G | 66.2 | Low | 54.6 | Low | 13 Ų | 13 | 82.8 Ų | 82.8 | 13% | 0.134 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 108.4 | -23.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R947 C951 G1007 | R947-G949 PolarHBondContact O-N 2.68Å; G949-C951 PolarHBondContact O-N 3.42Å; G949-G1007 WeakPolarHBondContact O-CA 3.07Å; G949-G1007 PolarHBondContact O-N 3.31Å |
| 950 | D | 74.8 | Confident | 55.9 | Low | 29 Ų | 29 | 82.9 Ų | 82.9 | 16% | 0.155 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 130.6 | -178.4 | -68.6 | -12.9 | 0 | 0 | 0 | 112.1 | R947 L978 P979 G1007 | R947-D950 WeakPolarHBondContact CB-OD2 3.31Å; R947-D950 PolarHBondContact N-OD2 3.39Å; R947-D950 WeakPolarHBondContact O-CB 3.46Å; R947-D950 PolarHBondContact O-N 2.88Å; R947-D950 VanDerWaalsContact O-N 3.1Å; D950-L978 CarbonylContact C-O 3.51Å; D950-L978 WeakPolarHBondContact CA-O 3.21Å; D950-P979 WeakPolarHBondContact OD1-CA 3.37Å; D950-G1007 WeakPolarHBondContact O-CA 3.33Å |
| 951 | C | 79 | Confident | 57.6 | Low | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 138.2 | 180 | -52.3 | 0 | 0 | 0 | 0 | 111.7 | G949 F953 L978 C1004 S1008 W1009 | G949-C951 PolarHBondContact O-N 3.42Å; C951-F953 PolarHBondContact O-N 3.42Å; C951-L978 PolarHBondContact N-O 2.04Å; C951-L978 PolarHBondContact O-N 3.17Å; C951-C1004 HydrophobicContact CB-CB 3.81Å; C951-C1004 WeakPolarHBondContact CB-SG 3.47Å; C951-C1004 PolarHBondContact N-SG 3.48Å; C951-C1004 WeakPolarHBondContact SG-CA 3.5Å; C951-C1004 WeakPolarHBondContact SG-CB 3.39Å; C951-C1004 CovalentContact SG-SG 2.02Å; C951-C1004 PolarHBondContact SG-SG 3.06Å; C951-S1008 PolarHBondContact SG-N 2.03Å; C951-S1008 VanDerWaalsContact SG-N 3.38Å; C951-S1008 PolarHBondContact SG-O 2.85Å; C951-S1008 VanDerWaalsContact SG-O 3.4Å; C951-W1009 HydrophobicContact CB-CD2 4.37Å; C951-W1009 HydrophobicContact CB-CH2 4.06Å; C951-W1009 HydrophobicContact CB-CZ2 3.59Å |
| 952 | I | 77.5 | Confident | 59.1 | Low | 91 Ų | 91 | 77 Ų | 77 | 47% | 0.467 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 118.3 | 169.4 | -60.4 | 172.4 | 0 | 0 | 0 | 108.2 | T975 W1009 | I952-T975 HydrophobicContact CG2-CG2 3.94Å; I952-W1009 PolarHBondContact O-NE1 3.16Å |
| 953 | F | 74.5 | Confident | 60.9 | Low | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.009 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 126.7 | 161.8 | 171.1 | -100.3 | 0 | 0 | 0 | 109.2 | C951 P955 F958 V963 F972 F974 T975 Q976 L978 L984 W1009 | C951-F953 PolarHBondContact O-N 3.42Å; F953-P955 HydrophobicContact CE1-CG 3.91Å; F953-P955 HydrophobicContact CZ-CG 4.45Å; F953-F958 HydrophobicContact CD2-CD2 4.01Å; F953-F958 AromaticContact CD2-CE2 3.9Å; F953-F958 HydrophobicContact CD2-CE2 3.9Å; F953-F958 AromaticContact CE2-CD2 3.51Å; F953-F958 HydrophobicContact CE2-CD2 3.51Å; F953-F958 AromaticContact CE2-CE2 3.87Å; F953-F958 HydrophobicContact CE2-CE2 3.87Å; F953-F958 HydrophobicContact CE2-CG 4.41Å; F953-F958 HydrophobicContact CZ-CD2 4.49Å; F953-V963 HydrophobicContact CD2-CG1 4.34Å; F953-V963 HydrophobicContact CE2-CB 3.91Å; F953-V963 HydrophobicContact CE2-CG1 3.7Å; F953-V963 HydrophobicContact CE2-CG2 3.94Å; F953-V963 HydrophobicContact CZ-CB 4.1Å; F953-V963 HydrophobicContact CZ-CG1 4.29Å; F953-V963 HydrophobicContact CZ-CG2 4.24Å; F953-F972 HydrophobicContact CD1-CB 3.73Å; F953-F972 HydrophobicContact CE1-CB 3.45Å; F953-F972 VanDerWaalsContact CE1-CB 3.45Å; F953-F972 HydrophobicContact CE2-CB 4.36Å; F953-F972 HydrophobicContact CG-CB 4.29Å; F953-F972 HydrophobicContact CZ-CB 3.8Å; F953-F972 WeakPolarHBondContact CZ-O 3.26Å; F953-F974 VanDerWaalsContact CD1-O 3.29Å; F953-F974 WeakPolarHBondContact CD1-O 3.43Å; F953-F974 WeakPolarHBondContact CE1-O 3.26Å; F953-T975 VanDerWaalsContact O-CA 3.27Å; F953-T975 WeakPolarHBondContact O-CA 3.44Å; F953-T975 WeakPolarHBondContact O-CG2 3.36Å; F953-Q976 HydrophobicContact CB-CG 4.34Å; F953-Q976 HydrophobicContact CD1-CG 4.28Å; F953-Q976 PolarHBondContact N-O 3.21Å; F953-Q976 PolarHBondContact O-N 2.79Å; F953-L978 HydrophobicContact CB-CD1 3.81Å; F953-L978 HydrophobicContact CB-CG 4.42Å; F953-L984 HydrophobicContact CD2-CD1 4.17Å; F953-W1009 HydrophobicContact CB-CZ2 4.06Å |
| 954 | N | 68.1 | Low | 62.6 | Low | 39 Ų | 39 | 65.5 Ų | 65.5 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | trans | -124.4 | 121.6 | 177.2 | 174.9 | 16.3 | 0 | 0 | 0 | 109.5 | L956 D957 | N954-L956 PolarHBondContact O-N 2.83Å; N954-L956 PolarHBondContact OD1-N 3.49Å; N954-L956 VanDerWaalsContact OD1-N 3.16Å; N954-D957 PolarHBondContact ND2-OD1 3.39Å; N954-D957 PolarHBondContact O-N 3.39Å | ||
| 955 | P | 57.7 | Low | 64.2 | Low | 28 Ų | 28 | 61.1 Ų | 61.1 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.6 | 177.7 | -25 | 33.6 | 0 | 0 | 0 | 115.2 | F953 T975 | F953-P955 HydrophobicContact CE1-CG 3.91Å; F953-P955 HydrophobicContact CZ-CG 4.45Å; P955-T975 WeakPolarHBondContact CD-OG1 3.48Å |
| 956 | L | 59.4 | Low | 65.8 | Low | 130 Ų | 130 | 56.3 Ų | 56.3 | 68% | 0.681 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -20.2 | 176.1 | -58.8 | 173.7 | 0 | 0 | 0 | 113.1 | N954 F958 V959 | N954-L956 PolarHBondContact O-N 2.83Å; N954-L956 PolarHBondContact OD1-N 3.49Å; N954-L956 VanDerWaalsContact OD1-N 3.16Å; L956-F958 PolarHBondContact O-N 3.06Å; L956-V959 WeakPolarHBondContact O-CG2 3.34Å |
| 957 | D | 65.7 | Low | 66.6 | Low | 95 Ų | 95 | 58 Ų | 58 | 51% | 0.508 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -13.5 | 178.5 | -61 | -8.4 | 0 | 0 | 0 | 112 | N954 | N954-D957 PolarHBondContact ND2-OD1 3.39Å; N954-D957 PolarHBondContact O-N 3.39Å |
| 958 | F | 68.3 | Low | 66.5 | Low | 14 Ų | 14 | 52.5 Ų | 52.5 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | 52 | -173.2 | -59.7 | -78.7 | 0 | 0 | 0 | 111.3 | F953 L956 M961 V963 L986 V1002 W1009 P1016 | F953-F958 HydrophobicContact CD2-CD2 4.01Å; F953-F958 AromaticContact CD2-CE2 3.9Å; F953-F958 HydrophobicContact CD2-CE2 3.9Å; F953-F958 AromaticContact CE2-CD2 3.51Å; F953-F958 HydrophobicContact CE2-CD2 3.51Å; F953-F958 AromaticContact CE2-CE2 3.87Å; F953-F958 HydrophobicContact CE2-CE2 3.87Å; F953-F958 HydrophobicContact CE2-CG 4.41Å; F953-F958 HydrophobicContact CZ-CD2 4.49Å; L956-F958 PolarHBondContact O-N 3.06Å; F958-M961 HydrophobicContact CB-CB 4.19Å; F958-M961 HydrophobicContact CB-SD 4.17Å; F958-M961 HydrophobicContact CD1-CE 3.79Å; F958-M961 HydrophobicContact CD1-SD 4.24Å; F958-M961 WeakPolarHBondContact O-CB 3.01Å; F958-M961 PolarHBondContact O-N 2.85Å; F958-V963 HydrophobicContact CB-CG2 3.68Å; F958-V963 HydrophobicContact CD1-CG2 4.35Å; F958-V963 HydrophobicContact CD2-CG2 4.31Å; F958-V963 HydrophobicContact CG-CG2 3.87Å; F958-L986 HydrophobicContact CD1-CD1 4.23Å; F958-L986 HydrophobicContact CD1-CD2 3.75Å; F958-L986 HydrophobicContact CE1-CD1 3.85Å; F958-L986 HydrophobicContact CE1-CD2 3.79Å; F958-L986 HydrophobicContact CG-CD2 4.48Å; F958-V1002 HydrophobicContact CE1-CG2 4.49Å; F958-V1002 HydrophobicContact CZ-CG2 4.36Å; F958-W1009 HydrophobicContact CZ-CG 4.46Å; F958-P1016 HydrophobicContact CE1-CG 4.3Å |
| 959 | V | 58.1 | Low | 66.3 | Low | 66 Ų | 66 | 44.6 Ų | 44.6 | 40% | 0.4 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 140.7 | -179.2 | -164.1 | 0 | 0 | 0 | 0 | 111.1 | L956 M961 | L956-V959 WeakPolarHBondContact O-CG2 3.34Å; V959-M961 PolarHBondContact O-N 2.93Å |
| 960 | H | 62.8 | Low | 65.5 | Low | 36 Ų | 36 | 49 Ų | 49 | 17% | 0.167 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 18.6 | -172.9 | -55.4 | -62.7 | 0 | 0 | 0 | 115.5 | C988 E989 C1018 R1089 D1092 | H960-C988 WeakPolarHBondContact O-CA 3.49Å; H960-E989 WeakPolarHBondContact O-CB 3.5Å; H960-E989 PolarHBondContact O-N 3.11Å; H960-C1018 HydrophobicContact CB-CB 4.3Å; H960-R1089 PolarHBondContact CE1-O 3.47Å; H960-R1089 PolarHBondContact NE2-O 2.9Å; H960-D1092 IonicContact NE2-OD2 3.47Å |
| 961 | M | 68.2 | Low | 64.4 | Low | 14 Ų | 14 | 48.7 Ų | 48.7 | 7% | 0.069 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139.1 | -179.8 | -61.9 | 155.3 | 76 | 0 | 0 | 111.4 | F958 V959 V963 L986 R987 L996 P1016 C1018 | F958-M961 HydrophobicContact CB-CB 4.19Å; F958-M961 HydrophobicContact CB-SD 4.17Å; F958-M961 HydrophobicContact CD1-CE 3.79Å; F958-M961 HydrophobicContact CD1-SD 4.24Å; F958-M961 WeakPolarHBondContact O-CB 3.01Å; F958-M961 PolarHBondContact O-N 2.85Å; V959-M961 PolarHBondContact O-N 2.93Å; M961-V963 HydrophobicContact CB-CG2 4.49Å; M961-L986 HydrophobicContact CE-CB 3.87Å; M961-L986 HydrophobicContact CE-CD1 3.87Å; M961-L986 HydrophobicContact CE-CD2 4.17Å; M961-L986 HydrophobicContact CE-CG 4.2Å; M961-R987 CarbonylContact C-O 3.51Å; M961-R987 WeakPolarHBondContact CA-O 3.31Å; M961-R987 WeakPolarHBondContact CB-O 3.44Å; M961-L996 HydrophobicContact CE-CD1 3.83Å; M961-P1016 HydrophobicContact CE-CB 3.91Å; M961-P1016 HydrophobicContact CE-CG 4.28Å; M961-C1018 WeakPolarHBondContact CG-SG 3.26Å |
| 962 | T | 66 | Low | 63.5 | Low | 31 Ų | 31 | 49.4 Ų | 49.4 | 19% | 0.19 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 124.4 | 160.4 | 55.3 | 0 | 0 | 0 | 0 | 108.2 | R987 | T962-R987 PolarHBondContact N-O 3.14Å; T962-R987 PolarHBondContact O-N 3.39Å; T962-R987 VanDerWaalsContact O-N 3.11Å; T962-R987 PolarHBondContact OG1-O 3Å |
| 963 | V | 71.2 | Confident | 61.9 | Low | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.8 | 179.9 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | F953 F958 M961 Q971 F972 L984 T985 L986 | F953-V963 HydrophobicContact CD2-CG1 4.34Å; F953-V963 HydrophobicContact CE2-CB 3.91Å; F953-V963 HydrophobicContact CE2-CG1 3.7Å; F953-V963 HydrophobicContact CE2-CG2 3.94Å; F953-V963 HydrophobicContact CZ-CB 4.1Å; F953-V963 HydrophobicContact CZ-CG1 4.29Å; F953-V963 HydrophobicContact CZ-CG2 4.24Å; F958-V963 HydrophobicContact CB-CG2 3.68Å; F958-V963 HydrophobicContact CD1-CG2 4.35Å; F958-V963 HydrophobicContact CD2-CG2 4.31Å; F958-V963 HydrophobicContact CG-CG2 3.87Å; M961-V963 HydrophobicContact CB-CG2 4.49Å; V963-Q971 VanDerWaalsContact O-CA 3.3Å; V963-Q971 WeakPolarHBondContact O-CA 3.44Å; V963-F972 HydrophobicContact CG1-CD2 4.45Å; V963-F972 PolarHBondContact O-N 3.01Å; V963-L984 HydrophobicContact CG1-CB 4.1Å; V963-L984 HydrophobicContact CG1-CD1 3.82Å; V963-L984 HydrophobicContact CG1-CD2 4.42Å; V963-L984 HydrophobicContact CG1-CG 4.35Å; V963-T985 WeakPolarHBondContact CA-O 3.31Å; V963-L986 HydrophobicContact CB-CD2 4.16Å; V963-L986 HydrophobicContact CG1-CD2 3.78Å; V963-L986 HydrophobicContact CG2-CD2 3.63Å |
| 964 | S | 71 | Confident | 60.4 | Low | 14 Ų | 14 | 51.8 Ų | 51.8 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 142.3 | -178 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | V966 E970 L984 T985 | S964-V966 PolarHBondContact O-N 2.9Å; S964-E970 CarbonylContact C-O 3.57Å; S964-E970 WeakPolarHBondContact CA-O 3.33Å; S964-E970 WeakPolarHBondContact CB-O 3.38Å; S964-L984 CarbonylContact O-C 3.38Å; S964-T985 PolarHBondContact N-O 2.64Å; S964-T985 PolarHBondContact O-N 3.1Å |
| 965 | S | 70.3 | Confident | 59.8 | Low | 13 Ų | 13 | 54 Ų | 54 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 129.3 | 170.6 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | H967 S968 G969 E970 | S965-H967 PolarHBondContact O-N 3.49Å; S965-H967 PolarHBondContact OG-N 3.47Å; S965-S968 WeakPolarHBondContact CB-OG 3.06Å; S965-S968 PolarHBondContact OG-N 2.83Å; S965-S968 PolarHBondContact OG-OG 2.98Å; S965-G969 WeakPolarHBondContact O-CA 3.34Å; S965-G969 PolarHBondContact O-N 2.95Å; S965-E970 PolarHBondContact N-O 2.91Å |
| 966 | V | 72.8 | Confident | 59.9 | Low | 56 Ų | 56 | 54.6 Ų | 54.6 | 34% | 0.339 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -30.4 | 171.5 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | S964 E983 T985 Q1001 | S964-V966 PolarHBondContact O-N 2.9Å; V966-E983 HydrophobicContact CB-CB 4.17Å; V966-E983 HydrophobicContact CB-CG 4.37Å; V966-E983 HydrophobicContact CG2-CB 4.12Å; V966-E983 HydrophobicContact CG2-CG 3.87Å; V966-E983 PolarHBondContact N-O 3.06Å; V966-T985 VanDerWaalsContact CG2-OG1 3.29Å; V966-T985 WeakPolarHBondContact CG2-OG1 3.35Å; V966-Q1001 HydrophobicContact CG2-CG 4.46Å |
| 967 | H | 60.6 | Low | 60.2 | Low | 153 Ų | 153 | 52.3 Ų | 52.3 | 71% | 0.708 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -36.3 | -170.9 | -68.2 | 75.5 | 0 | 0 | 0 | 113.5 | S965 E983 | S965-H967 PolarHBondContact O-N 3.49Å; S965-H967 PolarHBondContact OG-N 3.47Å; H967-E983 IonicContact CE1-OE2 3.59Å |
| 968 | S | 50.1 | Low | 60.7 | Low | 71 Ų | 71 | 48.4 Ų | 48.4 | 50% | 0.497 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -10.7 | -179.8 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | S965 E970 | S965-S968 WeakPolarHBondContact CB-OG 3.06Å; S965-S968 PolarHBondContact OG-N 2.83Å; S965-S968 PolarHBondContact OG-OG 2.98Å; S968-E970 PolarHBondContact O-N 3.21Å; S968-E970 VanDerWaalsContact OG-CB 3.26Å; S968-E970 WeakPolarHBondContact OG-CB 3.41Å; S968-E970 PolarHBondContact OG-OE2 2.8Å |
| 969 | G | 50.1 | Low | 61.1 | Low | 36 Ų | 36 | 51.3 Ų | 51.3 | 37% | 0.371 | 28% | 0.283 | S | S | . | . | trans | 66 | 2.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S965 | S965-G969 WeakPolarHBondContact O-CA 3.34Å; S965-G969 PolarHBondContact O-N 2.95Å | ||
| 970 | E | 48.9 | Very low | 62.1 | Low | 105 Ų | 105 | 52.6 Ų | 52.6 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 134.1 | -178.1 | -176.5 | 173.3 | -163.2 | 0 | 0 | 110.9 | S964 S965 S968 F972 | S964-E970 CarbonylContact C-O 3.57Å; S964-E970 WeakPolarHBondContact CA-O 3.33Å; S964-E970 WeakPolarHBondContact CB-O 3.38Å; S965-E970 PolarHBondContact N-O 2.91Å; S968-E970 PolarHBondContact O-N 3.21Å; S968-E970 VanDerWaalsContact OG-CB 3.26Å; S968-E970 WeakPolarHBondContact OG-CB 3.41Å; S968-E970 PolarHBondContact OG-OE2 2.8Å; E970-F972 HydrophobicContact CG-CE1 4.48Å |
| 971 | Q | 52.6 | Low | 63 | Low | 24 Ų | 24 | 53 Ų | 53 | 11% | 0.112 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -89.7 | 125.7 | 179.3 | -76.2 | -171.6 | -25.3 | 0 | 0 | 111.7 | V963 V973 | V963-Q971 VanDerWaalsContact O-CA 3.3Å; V963-Q971 WeakPolarHBondContact O-CA 3.44Å; Q971-V973 HydrophobicContact CB-CG1 4.39Å |
| 972 | F | 59.1 | Low | 63.6 | Low | 15 Ų | 15 | 53.5 Ų | 53.5 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 118.8 | 176.9 | -57.8 | -61.9 | 0 | 0 | 0 | 110 | F953 V963 E970 Q976 L978 L984 | F953-F972 HydrophobicContact CD1-CB 3.73Å; F953-F972 HydrophobicContact CE1-CB 3.45Å; F953-F972 VanDerWaalsContact CE1-CB 3.45Å; F953-F972 HydrophobicContact CE2-CB 4.36Å; F953-F972 HydrophobicContact CG-CB 4.29Å; F953-F972 HydrophobicContact CZ-CB 3.8Å; F953-F972 WeakPolarHBondContact CZ-O 3.26Å; V963-F972 HydrophobicContact CG1-CD2 4.45Å; V963-F972 PolarHBondContact O-N 3.01Å; E970-F972 HydrophobicContact CG-CE1 4.48Å; F972-Q976 VanDerWaalsContact CD1-OE1 3.31Å; F972-L978 HydrophobicContact CD2-CD1 4.39Å; F972-L978 HydrophobicContact CE1-CD2 4.05Å; F972-L978 HydrophobicContact CE2-CD1 4.23Å; F972-L978 HydrophobicContact CZ-CD1 4.37Å; F972-L978 HydrophobicContact CZ-CD2 4.02Å; F972-L984 HydrophobicContact CD2-CD2 3.55Å; F972-L984 HydrophobicContact CE2-CD2 3.31Å; F972-L984 HydrophobicContact CZ-CD2 4.46Å |
| 973 | V | 45.4 | Very low | 64.6 | Low | 26 Ų | 26 | 54.3 Ų | 54.3 | 16% | 0.158 | 31% | 0.305 | C | S | . | . | trans | -130.3 | -0.2 | -171.1 | -58.3 | 0 | 0 | 0 | 0 | 114.4 | R837 Q971 | R837-V973 HydrophobicContact CG-CB 4.33Å; Q971-V973 HydrophobicContact CB-CG1 4.39Å | ||
| 974 | F | 43 | Very low | 65.2 | Low | 116 Ų | 116 | 54.1 Ų | 54.1 | 51% | 0.509 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -137.7 | 162.6 | 177.7 | 59.4 | -89.1 | 0 | 0 | 0 | 109.7 | F953 Q976 | F953-F974 VanDerWaalsContact CD1-O 3.29Å; F953-F974 WeakPolarHBondContact CD1-O 3.43Å; F953-F974 WeakPolarHBondContact CE1-O 3.26Å; F974-Q976 HydrophobicContact CD2-CB 4.24Å; F974-Q976 HydrophobicContact CE2-CB 3.92Å; F974-Q976 HydrophobicContact CE2-CG 4.36Å; F974-Q976 VanDerWaalsContact CZ-OE1 3.24Å; F974-Q976 PolarHBondContact O-N 2.89Å |
| 975 | T | 54.8 | Low | 65.7 | Low | 86 Ų | 86 | 54.9 Ų | 54.9 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | trans | -70.7 | 126.2 | -179.3 | -50.8 | 0 | 0 | 0 | 0 | 110.8 | I952 F953 P955 | I952-T975 HydrophobicContact CG2-CG2 3.94Å; F953-T975 VanDerWaalsContact O-CA 3.27Å; F953-T975 WeakPolarHBondContact O-CA 3.44Å; F953-T975 WeakPolarHBondContact O-CG2 3.36Å; P955-T975 WeakPolarHBondContact CD-OG1 3.48Å | ||
| 976 | Q | 59 | Low | 66.2 | Low | 40 Ų | 40 | 54.4 Ų | 54.4 | 19% | 0.187 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 152.7 | -178.6 | 59.4 | 177.9 | 92.6 | 0 | 0 | 112.6 | F953 F972 F974 L978 | F953-Q976 HydrophobicContact CB-CG 4.34Å; F953-Q976 HydrophobicContact CD1-CG 4.28Å; F953-Q976 PolarHBondContact N-O 3.21Å; F953-Q976 PolarHBondContact O-N 2.79Å; F972-Q976 VanDerWaalsContact CD1-OE1 3.31Å; F974-Q976 HydrophobicContact CD2-CB 4.24Å; F974-Q976 HydrophobicContact CE2-CB 3.92Å; F974-Q976 HydrophobicContact CE2-CG 4.36Å; F974-Q976 VanDerWaalsContact CZ-OE1 3.24Å; F974-Q976 PolarHBondContact O-N 2.89Å; Q976-L978 HydrophobicContact CG-CG 4.39Å; Q976-L978 VanDerWaalsContact NE2-CD2 3.34Å |
| 977 | H | 65.5 | Low | 66.1 | Low | 83 Ų | 83 | 57 Ų | 57 | 38% | 0.384 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 135.7 | 168.4 | -64.1 | -99.7 | 0 | 0 | 0 | 109.4 | ||
| 978 | L | 76.3 | Confident | 66.5 | Low | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 133.5 | 175.7 | -72.2 | 175.5 | 0 | 0 | 0 | 108.9 | D950 C951 F953 F972 Q976 T982 L984 W1009 | D950-L978 CarbonylContact C-O 3.51Å; D950-L978 WeakPolarHBondContact CA-O 3.21Å; C951-L978 PolarHBondContact N-O 2.04Å; C951-L978 PolarHBondContact O-N 3.17Å; F953-L978 HydrophobicContact CB-CD1 3.81Å; F953-L978 HydrophobicContact CB-CG 4.42Å; F972-L978 HydrophobicContact CD2-CD1 4.39Å; F972-L978 HydrophobicContact CE1-CD2 4.05Å; F972-L978 HydrophobicContact CE2-CD1 4.23Å; F972-L978 HydrophobicContact CZ-CD1 4.37Å; F972-L978 HydrophobicContact CZ-CD2 4.02Å; Q976-L978 HydrophobicContact CG-CG 4.39Å; Q976-L978 VanDerWaalsContact NE2-CD2 3.34Å; L978-T982 HydrophobicContact CB-CG2 4.14Å; L978-T982 HydrophobicContact CD1-CG2 4.03Å; L978-T982 HydrophobicContact CD2-CG2 4.29Å; L978-T982 HydrophobicContact CG-CG2 4.39Å; L978-L984 HydrophobicContact CD1-CD1 4.44Å; L978-L984 HydrophobicContact CD1-CD2 4.08Å; L978-W1009 HydrophobicContact CB-CH2 4.19Å; L978-W1009 HydrophobicContact CB-CZ2 4.47Å; L978-W1009 HydrophobicContact CD1-CH2 3.72Å; L978-W1009 HydrophobicContact CD1-CZ2 4Å |
| 979 | P | 76.8 | Confident | 66.8 | Low | 76 Ų | 76 | 49.5 Ų | 49.5 | 49% | 0.494 | 27% | 0.266 | S | S | . | . | trans | -65.9 | 154.3 | -174.6 | 26.5 | -34.2 | 0 | 0 | 0 | 112.3 | D950 G981 T982 | D950-P979 WeakPolarHBondContact OD1-CA 3.37Å; P979-G981 PolarHBondContact O-N 3.4Å; P979-T982 WeakPolarHBondContact CD-OG1 3.17Å; P979-T982 WeakPolarHBondContact CG-OG1 3.49Å; P979-T982 VanDerWaalsContact O-CB 3.3Å; P979-T982 WeakPolarHBondContact O-CB 3.44Å; P979-T982 PolarHBondContact O-N 3.02Å; P979-T982 PolarHBondContact O-OG1 3.19Å | ||
| 980 | E | 79.2 | Confident | 67.2 | Low | 92 Ų | 92 | 50 Ų | 50 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 138.4 | 173.9 | -173.4 | 159.1 | -148.5 | 0 | 0 | 111.9 | R1005 N1006 | E980-R1005 WeakPolarHBondContact OE1-CA 3.2Å; E980-R1005 WeakPolarHBondContact OE1-CG 3.26Å; E980-N1006 PolarHBondContact OE1-N 3.35Å; E980-N1006 PolarHBondContact OE1-OD1 3.31Å |
| 981 | G | 81.2 | Confident | 67.3 | Low | 45 Ų | 45 | 48.9 Ų | 48.9 | 46% | 0.464 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -3.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P979 E983 L1003 C1004 | P979-G981 PolarHBondContact O-N 3.4Å; G981-E983 PolarHBondContact O-N 2.8Å; G981-L1003 WeakPolarHBondContact O-CD1 3.3Å; G981-C1004 PolarHBondContact N-O 2.8Å |
| 982 | T | 82.2 | Confident | 67.1 | Low | 24 Ų | 24 | 47.9 Ų | 47.9 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | trans | -63.6 | 126.8 | 173.8 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | L978 P979 L984 C1004 | L978-T982 HydrophobicContact CB-CG2 4.14Å; L978-T982 HydrophobicContact CD1-CG2 4.03Å; L978-T982 HydrophobicContact CD2-CG2 4.29Å; L978-T982 HydrophobicContact CG-CG2 4.39Å; P979-T982 WeakPolarHBondContact CD-OG1 3.17Å; P979-T982 WeakPolarHBondContact CG-OG1 3.49Å; P979-T982 VanDerWaalsContact O-CB 3.3Å; P979-T982 WeakPolarHBondContact O-CB 3.44Å; P979-T982 PolarHBondContact O-N 3.02Å; P979-T982 PolarHBondContact O-OG1 3.19Å; T982-L984 HydrophobicContact CG2-CD2 4.1Å; T982-C1004 WeakPolarHBondContact O-CB 3.12Å; T982-C1004 PolarHBondContact O-N 2.88Å | ||
| 983 | E | 85.9 | Confident | 66.9 | Low | 49 Ų | 49 | 48.9 Ų | 48.9 | 23% | 0.229 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.1 | -179.9 | -160.5 | -161.9 | 154 | 0 | 0 | 111.9 | V966 H967 G981 Q1001 L1003 | V966-E983 HydrophobicContact CB-CB 4.17Å; V966-E983 HydrophobicContact CB-CG 4.37Å; V966-E983 HydrophobicContact CG2-CB 4.12Å; V966-E983 HydrophobicContact CG2-CG 3.87Å; V966-E983 PolarHBondContact N-O 3.06Å; H967-E983 IonicContact CE1-OE2 3.59Å; G981-E983 PolarHBondContact O-N 2.8Å; E983-Q1001 PolarHBondContact OE1-NE2 3.01Å; E983-L1003 HydrophobicContact CB-CD1 4.22Å; E983-L1003 HydrophobicContact CG-CD1 4.45Å |
| 984 | L | 83.7 | Confident | 67.7 | Low | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132.9 | -175.7 | -56.2 | -176.6 | 0 | 0 | 0 | 111.3 | F953 V963 S964 F972 L978 T982 Q1001 V1002 W1009 | F953-L984 HydrophobicContact CD2-CD1 4.17Å; V963-L984 HydrophobicContact CG1-CB 4.1Å; V963-L984 HydrophobicContact CG1-CD1 3.82Å; V963-L984 HydrophobicContact CG1-CD2 4.42Å; V963-L984 HydrophobicContact CG1-CG 4.35Å; S964-L984 CarbonylContact O-C 3.38Å; F972-L984 HydrophobicContact CD2-CD2 3.55Å; F972-L984 HydrophobicContact CE2-CD2 3.31Å; F972-L984 HydrophobicContact CZ-CD2 4.46Å; L978-L984 HydrophobicContact CD1-CD1 4.44Å; L978-L984 HydrophobicContact CD1-CD2 4.08Å; T982-L984 HydrophobicContact CG2-CD2 4.1Å; L984-Q1001 CarbonylContact O-C 3.56Å; L984-Q1001 WeakPolarHBondContact O-CA 3.06Å; L984-V1002 HydrophobicContact CB-CG2 3.91Å; L984-V1002 HydrophobicContact CD1-CG2 4.25Å; L984-V1002 HydrophobicContact CG-CG2 4.44Å; L984-V1002 PolarHBondContact N-O 2.97Å; L984-V1002 PolarHBondContact O-N 3.01Å; L984-W1009 HydrophobicContact CD1-CD2 4.39Å; L984-W1009 HydrophobicContact CD1-CE3 3.93Å; L984-W1009 HydrophobicContact CD1-CH2 3.44Å; L984-W1009 VanDerWaalsContact CD1-CH2 3.44Å; L984-W1009 HydrophobicContact CD1-CZ2 3.92Å; L984-W1009 HydrophobicContact CD1-CZ3 3.43Å; L984-W1009 VanDerWaalsContact CD1-CZ3 3.43Å; L984-W1009 HydrophobicContact CG-CE3 4.43Å; L984-W1009 HydrophobicContact CG-CH2 3.92Å; L984-W1009 HydrophobicContact CG-CZ3 3.67Å |
| 985 | T | 82.4 | Confident | 68.6 | Low | 30 Ų | 30 | 47 Ų | 47 | 18% | 0.184 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 139.5 | 164.1 | -64.7 | 0 | 0 | 0 | 0 | 110.3 | V963 S964 V966 R987 | V963-T985 WeakPolarHBondContact CA-O 3.31Å; S964-T985 PolarHBondContact N-O 2.64Å; S964-T985 PolarHBondContact O-N 3.1Å; V966-T985 VanDerWaalsContact CG2-OG1 3.29Å; V966-T985 WeakPolarHBondContact CG2-OG1 3.35Å; T985-R987 HydrophobicContact CG2-CG 4.33Å |
| 986 | L | 81.5 | Confident | 69.4 | Low | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133.9 | -178 | -57.5 | 177 | 0 | 0 | 0 | 110.6 | F958 M961 V963 L996 G1000 V1002 P1016 | F958-L986 HydrophobicContact CD1-CD1 4.23Å; F958-L986 HydrophobicContact CD1-CD2 3.75Å; F958-L986 HydrophobicContact CE1-CD1 3.85Å; F958-L986 HydrophobicContact CE1-CD2 3.79Å; F958-L986 HydrophobicContact CG-CD2 4.48Å; M961-L986 HydrophobicContact CE-CB 3.87Å; M961-L986 HydrophobicContact CE-CD1 3.87Å; M961-L986 HydrophobicContact CE-CD2 4.17Å; M961-L986 HydrophobicContact CE-CG 4.2Å; V963-L986 HydrophobicContact CB-CD2 4.16Å; V963-L986 HydrophobicContact CG1-CD2 3.78Å; V963-L986 HydrophobicContact CG2-CD2 3.63Å; L986-L996 HydrophobicContact CB-CD2 4.32Å; L986-L996 WeakPolarHBondContact O-CD2 3.41Å; L986-G1000 PolarHBondContact N-O 3.37Å; L986-V1002 HydrophobicContact CD1-CB 4.49Å; L986-V1002 HydrophobicContact CD1-CG1 3.81Å; L986-V1002 HydrophobicContact CD1-CG2 3.97Å; L986-V1002 HydrophobicContact CG-CG2 4.38Å; L986-P1016 HydrophobicContact CD1-CB 3.65Å; L986-P1016 HydrophobicContact CD1-CG 3.35Å |
| 987 | R | 70.7 | Confident | 70 | Confident | 112 Ų | 112 | 44.4 Ų | 44.4 | 42% | 0.423 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 155.4 | 175.5 | -58.8 | -177.2 | 179.3 | -161.2 | 5.8 | 110.7 | M961 T962 T985 S1041 | M961-R987 CarbonylContact C-O 3.51Å; M961-R987 WeakPolarHBondContact CA-O 3.31Å; M961-R987 WeakPolarHBondContact CB-O 3.44Å; T962-R987 PolarHBondContact N-O 3.14Å; T962-R987 PolarHBondContact O-N 3.39Å; T962-R987 VanDerWaalsContact O-N 3.11Å; T962-R987 PolarHBondContact OG1-O 3Å; T985-R987 HydrophobicContact CG2-CG 4.33Å; R987-S1041 VanDerWaalsContact NH1-C 3.3Å; R987-S1041 PolarHBondContact NH1-O 2.75Å |
| 988 | C | 67.6 | Low | 70.3 | Confident | 10 Ų | 10 | 42 Ų | 42 | 7% | 0.068 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 136.7 | 176.8 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | H960 H990 F994 C1018 | H960-C988 WeakPolarHBondContact O-CA 3.49Å; C988-H990 VanDerWaalsContact C-N 3.26Å; C988-H990 PolarHBondContact O-N 3.31Å; C988-F994 HydrophobicContact CB-CB 3.94Å; C988-C1018 WeakPolarHBondContact CA-SG 3.37Å; C988-C1018 HydrophobicContact CB-CB 4.06Å; C988-C1018 WeakPolarHBondContact CB-SG 3.26Å; C988-C1018 VanDerWaalsContact SG-CA 3.6Å; C988-C1018 WeakPolarHBondContact SG-CB 3.28Å; C988-C1018 CovalentContact SG-SG 2.04Å; C988-C1018 PolarHBondContact SG-SG 2.92Å |
| 989 | E | 57.4 | Low | 70.3 | Confident | 55 Ų | 55 | 42.6 Ų | 42.6 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -57.8 | -36.5 | -179.3 | -171.9 | -173.2 | 163 | 0 | 0 | 112.2 | H960 | H960-E989 WeakPolarHBondContact O-CB 3.5Å; H960-E989 PolarHBondContact O-N 3.11Å |
| 990 | H | 58.7 | Low | 70.3 | Confident | 46 Ų | 46 | 40.7 Ų | 40.7 | 21% | 0.213 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -109.9 | 78.4 | 177.9 | -62 | -33.4 | 0 | 0 | 0 | 111.2 | Q821 C988 G992 L993 F994 R1089 | Q821-H990 PolarHBondContact OE1-CE1 2.83Å; C988-H990 VanDerWaalsContact C-N 3.26Å; C988-H990 PolarHBondContact O-N 3.31Å; H990-G992 PolarHBondContact O-N 2.81Å; H990-L993 HydrophobicContact CB-CB 4.12Å; H990-L993 HydrophobicContact CB-CD1 4.3Å; H990-L993 PolarHBondContact O-N 2.84Å; H990-F994 HydrophobicContact CB-CD2 3.93Å; H990-F994 HydrophobicContact CB-CE2 4.19Å; H990-F994 PolarHBondContact O-N 3.49Å; H990-R1089 PolarHBondContact CE1-NH1 3.45Å; H990-R1089 WeakPolarHBondContact NE2-CD 3.49Å; H990-R1089 PolarHBondContact NE2-NE 2.69Å; H990-R1089 PolarHBondContact NE2-NH1 3.25Å |
| 991 | V | 49.7 | Very low | 70.6 | Confident | 82 Ų | 82 | 41.3 Ų | 41.3 | 50% | 0.497 | 24% | 0.235 | S | C | . | . | B | Isolated β-bridge | trans | -52.3 | 106.4 | 176.7 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | H1133 | V991-H1133 PolarHBondContact O-NE2 2.03Å |
| 992 | G | 48.2 | Very low | 70.8 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 109.7 | -20.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | H990 A1026 | H990-G992 PolarHBondContact O-N 2.81Å; G992-A1026 WeakPolarHBondContact O-CB 3.43Å |
| 993 | L | 55.1 | Low | 71.1 | Confident | 36 Ų | 36 | 41.7 Ų | 41.7 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -23.8 | 166.8 | -69.3 | 176.5 | 0 | 0 | 0 | 111.8 | H990 I1021 A1026 L1057 F1090 | H990-L993 HydrophobicContact CB-CB 4.12Å; H990-L993 HydrophobicContact CB-CD1 4.3Å; H990-L993 PolarHBondContact O-N 2.84Å; L993-I1021 PolarHBondContact O-N 3.48Å; L993-A1026 HydrophobicContact CD2-CB 4.23Å; L993-L1057 HydrophobicContact CD2-CD1 3.8Å; L993-F1090 HydrophobicContact CB-CZ 4.19Å; L993-F1090 HydrophobicContact CD1-CZ 4.25Å; L993-F1090 HydrophobicContact CD2-CZ 4.37Å |
| 994 | F | 63.3 | Low | 71.1 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 6% | 0.057 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.4 | -179.4 | -59 | -103.3 | 0 | 0 | 0 | 111.5 | C988 H990 C1018 R1019 P1020 F1090 | C988-F994 HydrophobicContact CB-CB 3.94Å; H990-F994 HydrophobicContact CB-CD2 3.93Å; H990-F994 HydrophobicContact CB-CE2 4.19Å; H990-F994 PolarHBondContact O-N 3.49Å; F994-C1018 HydrophobicContact CB-CB 3.96Å; F994-C1018 HydrophobicContact CD1-CB 4.18Å; F994-C1018 HydrophobicContact CG-CB 4.35Å; F994-R1019 CarbonylContact C-O 3.56Å; F994-R1019 VanDerWaalsContact CA-O 3.31Å; F994-R1019 WeakPolarHBondContact CA-O 3.16Å; F994-P1020 HydrophobicContact CD1-CB 4.49Å; F994-P1020 HydrophobicContact CD1-CG 4.12Å; F994-P1020 HydrophobicContact CE1-CB 4.47Å; F994-P1020 HydrophobicContact CE1-CG 3.88Å; F994-F1090 HydrophobicContact CE1-CD1 4.15Å; F994-F1090 HydrophobicContact CE1-CE1 4.19Å; F994-F1090 AromaticContact CE2-CE1 3.97Å; F994-F1090 HydrophobicContact CE2-CE1 3.97Å; F994-F1090 HydrophobicContact CE2-CE2 4.45Å; F994-F1090 AromaticContact CE2-CZ 3.92Å; F994-F1090 HydrophobicContact CE2-CZ 3.92Å; F994-F1090 AromaticContact CZ-CD1 3.78Å; F994-F1090 HydrophobicContact CZ-CD1 3.78Å; F994-F1090 HydrophobicContact CZ-CD2 4.42Å; F994-F1090 AromaticContact CZ-CE1 3.62Å; F994-F1090 HydrophobicContact CZ-CE1 3.62Å; F994-F1090 HydrophobicContact CZ-CE2 4.3Å; F994-F1090 HydrophobicContact CZ-CG 4.19Å; F994-F1090 AromaticContact CZ-CZ 3.91Å; F994-F1090 HydrophobicContact CZ-CZ 3.91Å |
| 995 | Q | 62.1 | Low | 71.1 | Confident | 89 Ų | 89 | 45.8 Ų | 45.8 | 42% | 0.416 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 131.3 | 171.8 | 171.1 | 180 | 30.2 | 0 | 0 | 108.2 | V997 R1019 I1021 | Q995-V997 HydrophobicContact CG-CG2 4.35Å; Q995-V997 PolarHBondContact O-N 3.15Å; Q995-R1019 PolarHBondContact N-O 3.2Å; Q995-R1019 PolarHBondContact O-N 2.78Å; Q995-I1021 HydrophobicContact CB-CD1 3.92Å; Q995-I1021 HydrophobicContact CB-CG1 3.72Å |
| 996 | L | 71.8 | Confident | 71 | Confident | 44 Ų | 44 | 50.3 Ų | 50.3 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 128 | 168.7 | -174.5 | 64.7 | 0 | 0 | 0 | 109.7 | M961 L986 P1016 | M961-L996 HydrophobicContact CE-CD1 3.83Å; L986-L996 HydrophobicContact CB-CD2 4.32Å; L986-L996 WeakPolarHBondContact O-CD2 3.41Å; L996-P1016 HydrophobicContact CD1-CB 4.22Å |
| 997 | V | 70.9 | Confident | 70.5 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129 | 175.3 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | Q995 P1016 Y1017 R1019 | Q995-V997 HydrophobicContact CG-CG2 4.35Å; Q995-V997 PolarHBondContact O-N 3.15Å; V997-P1016 CarbonylContact O-C 3.54Å; V997-P1016 VanDerWaalsContact O-CA 3.28Å; V997-P1016 WeakPolarHBondContact O-CA 3.13Å; V997-Y1017 HydrophobicContact CB-CD1 4.12Å; V997-Y1017 HydrophobicContact CB-CE1 3.66Å; V997-Y1017 HydrophobicContact CB-CE2 4.36Å; V997-Y1017 HydrophobicContact CG1-CD1 4.4Å; V997-Y1017 HydrophobicContact CG1-CE1 3.57Å; V997-Y1017 PolarHBondContact N-O 3.41Å; V997-Y1017 PolarHBondContact O-N 3.14Å; V997-R1019 HydrophobicContact CG2-CB 3.7Å |
| 998 | G | 72.5 | Confident | 70.8 | Confident | 31 Ų | 31 | 49.2 Ų | 49.2 | 32% | 0.32 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 100.2 | -176.3 | -162.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P1014 | G998-P1014 WeakPolarHBondContact CA-O 3Š|
| 999 | P | 74.9 | Confident | 71.3 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 17% | 0.169 | 28% | 0.282 | C | S | . | . | trans | -73.3 | 141.7 | -172.4 | 29.3 | -35.2 | 0 | 0 | 0 | 113 | Q1001 V1002 S1011 P1014 P1016 | P999-Q1001 WeakPolarHBondContact CB-O 3.47Å; P999-Q1001 PolarHBondContact O-N 2.91Å; P999-V1002 HydrophobicContact CG-CG1 4.4Å; P999-S1011 WeakPolarHBondContact CD-OG 3.38Å; P999-S1011 WeakPolarHBondContact CG-OG 3.34Å; P999-P1014 WeakPolarHBondContact CD-O 3.4Å; P999-P1016 WeakPolarHBondContact O-CB 3.49Å | ||
| 1000 | G | 77.2 | Confident | 72 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -73.9 | -9.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L986 | L986-G1000 PolarHBondContact N-O 3.37Š|
| 1001 | Q | 85.6 | Confident | 72.1 | Confident | 106 Ų | 106 | 53.5 Ų | 53.5 | 50% | 0.495 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 146.9 | 178.5 | -74.4 | 154.2 | -82.3 | 0 | 0 | 109.7 | V966 E983 L984 P999 | V966-Q1001 HydrophobicContact CG2-CG 4.46Å; E983-Q1001 PolarHBondContact OE1-NE2 3.01Å; L984-Q1001 CarbonylContact O-C 3.56Å; L984-Q1001 WeakPolarHBondContact O-CA 3.06Å; P999-Q1001 WeakPolarHBondContact CB-O 3.47Å; P999-Q1001 PolarHBondContact O-N 2.91Å |
| 1002 | V | 86.3 | Confident | 72.4 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 145.5 | 170.7 | -67.7 | 0 | 0 | 0 | 0 | 110.8 | F958 L984 L986 P999 W1009 P1016 | F958-V1002 HydrophobicContact CE1-CG2 4.49Å; F958-V1002 HydrophobicContact CZ-CG2 4.36Å; L984-V1002 HydrophobicContact CB-CG2 3.91Å; L984-V1002 HydrophobicContact CD1-CG2 4.25Å; L984-V1002 HydrophobicContact CG-CG2 4.44Å; L984-V1002 PolarHBondContact N-O 2.97Å; L984-V1002 PolarHBondContact O-N 3.01Å; L986-V1002 HydrophobicContact CD1-CB 4.49Å; L986-V1002 HydrophobicContact CD1-CG1 3.81Å; L986-V1002 HydrophobicContact CD1-CG2 3.97Å; L986-V1002 HydrophobicContact CG-CG2 4.38Å; P999-V1002 HydrophobicContact CG-CG1 4.4Å; V1002-W1009 HydrophobicContact CB-CE3 4.47Å; V1002-W1009 HydrophobicContact CG2-CE3 3.93Å; V1002-P1016 HydrophobicContact CG1-CG 4.14Å |
| 1003 | L | 87.5 | Confident | 72.8 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 37% | 0.372 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.3 | -176.9 | -179.8 | 65.8 | 0 | 0 | 0 | 110.4 | G981 E983 F1010 | G981-L1003 WeakPolarHBondContact O-CD1 3.3Å; E983-L1003 HydrophobicContact CB-CD1 4.22Å; E983-L1003 HydrophobicContact CG-CD1 4.45Å; L1003-F1010 WeakPolarHBondContact O-CB 3.46Å; L1003-F1010 PolarHBondContact O-N 3.05Å |
| 1004 | C | 85.6 | Confident | 73.2 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.007 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 122.5 | 169.1 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | C951 G981 T982 W1009 | C951-C1004 HydrophobicContact CB-CB 3.81Å; C951-C1004 WeakPolarHBondContact CB-SG 3.47Å; C951-C1004 PolarHBondContact N-SG 3.48Å; C951-C1004 WeakPolarHBondContact SG-CA 3.5Å; C951-C1004 WeakPolarHBondContact SG-CB 3.39Å; C951-C1004 CovalentContact SG-SG 2.02Å; C951-C1004 PolarHBondContact SG-SG 3.06Å; G981-C1004 PolarHBondContact N-O 2.8Å; T982-C1004 WeakPolarHBondContact O-CB 3.12Å; T982-C1004 PolarHBondContact O-N 2.88Å; C1004-W1009 HydrophobicContact CB-CE3 4.2Å; C1004-W1009 HydrophobicContact CB-CH2 3.84Å; C1004-W1009 HydrophobicContact CB-CZ3 3.59Å |
| 1005 | R | 83.8 | Confident | 73.3 | Confident | 134 Ų | 134 | 69.2 Ų | 69.2 | 51% | 0.506 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 133.9 | 177 | -169.8 | 176.6 | -178.1 | -178.5 | 1.9 | 111.9 | E980 G1007 S1008 | E980-R1005 WeakPolarHBondContact OE1-CA 3.2Å; E980-R1005 WeakPolarHBondContact OE1-CG 3.26Å; R1005-G1007 PolarHBondContact O-N 3.16Å; R1005-S1008 PolarHBondContact N-O 3.49Å; R1005-S1008 WeakPolarHBondContact O-CA 3.33Å; R1005-S1008 PolarHBondContact O-N 3.18Å; R1005-S1008 VanDerWaalsContact O-O 3.07Å; R1005-S1008 PolarHBondContact O-OG 3.13Å |
| 1006 | N | 79.9 | Confident | 73.9 | Confident | 126 Ų | 126 | 65.7 Ų | 65.7 | 67% | 0.674 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 41.9 | -176.7 | -65.4 | 43 | 0 | 0 | 0 | 112.8 | E980 S1008 | E980-N1006 PolarHBondContact OE1-N 3.35Å; E980-N1006 PolarHBondContact OE1-OD1 3.31Å; N1006-S1008 PolarHBondContact O-N 3.13Å |
| 1007 | G | 72.2 | Confident | 74.2 | Confident | 36 Ų | 36 | 69 Ų | 69 | 37% | 0.371 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 5.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | G949 D950 R1005 | G949-G1007 WeakPolarHBondContact O-CA 3.07Å; G949-G1007 PolarHBondContact O-N 3.31Å; D950-G1007 WeakPolarHBondContact O-CA 3.33Å; R1005-G1007 PolarHBondContact O-N 3.16Å |
| 1008 | S | 76.3 | Confident | 74.1 | Confident | 55 Ų | 55 | 68.3 Ų | 68.3 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 148.3 | -175.6 | 74.7 | 0 | 0 | 0 | 0 | 113.2 | C951 R1005 N1006 F1010 | C951-S1008 PolarHBondContact SG-N 2.03Å; C951-S1008 VanDerWaalsContact SG-N 3.38Å; C951-S1008 PolarHBondContact SG-O 2.85Å; C951-S1008 VanDerWaalsContact SG-O 3.4Å; R1005-S1008 PolarHBondContact N-O 3.49Å; R1005-S1008 WeakPolarHBondContact O-CA 3.33Å; R1005-S1008 PolarHBondContact O-N 3.18Å; R1005-S1008 VanDerWaalsContact O-O 3.07Å; R1005-S1008 PolarHBondContact O-OG 3.13Å; N1006-S1008 PolarHBondContact O-N 3.13Å; S1008-F1010 PolarHBondContact O-N 2.75Å |
| 1009 | W | 78.6 | Confident | 74 | Confident | 46 Ų | 46 | 72.3 Ų | 72.3 | 17% | 0.174 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 100.5 | 172 | -67 | 110.7 | 0 | 0 | 0 | 110.3 | C951 I952 F953 F958 L978 L984 V1002 C1004 S1011 | C951-W1009 HydrophobicContact CB-CD2 4.37Å; C951-W1009 HydrophobicContact CB-CH2 4.06Å; C951-W1009 HydrophobicContact CB-CZ2 3.59Å; I952-W1009 PolarHBondContact O-NE1 3.16Å; F953-W1009 HydrophobicContact CB-CZ2 4.06Å; F958-W1009 HydrophobicContact CZ-CG 4.46Å; L978-W1009 HydrophobicContact CB-CH2 4.19Å; L978-W1009 HydrophobicContact CB-CZ2 4.47Å; L978-W1009 HydrophobicContact CD1-CH2 3.72Å; L978-W1009 HydrophobicContact CD1-CZ2 4Å; L984-W1009 HydrophobicContact CD1-CD2 4.39Å; L984-W1009 HydrophobicContact CD1-CE3 3.93Å; L984-W1009 HydrophobicContact CD1-CH2 3.44Å; L984-W1009 VanDerWaalsContact CD1-CH2 3.44Å; L984-W1009 HydrophobicContact CD1-CZ2 3.92Å; L984-W1009 HydrophobicContact CD1-CZ3 3.43Å; L984-W1009 VanDerWaalsContact CD1-CZ3 3.43Å; L984-W1009 HydrophobicContact CG-CE3 4.43Å; L984-W1009 HydrophobicContact CG-CH2 3.92Å; L984-W1009 HydrophobicContact CG-CZ3 3.67Å; V1002-W1009 HydrophobicContact CB-CE3 4.47Å; V1002-W1009 HydrophobicContact CG2-CE3 3.93Å; C1004-W1009 HydrophobicContact CB-CE3 4.2Å; C1004-W1009 HydrophobicContact CB-CH2 3.84Å; C1004-W1009 HydrophobicContact CB-CZ3 3.59Å; W1009-S1011 PolarHBondContact O-N 3.46Å; W1009-S1011 VanDerWaalsContact O-N 3.11Å |
| 1010 | F | 71.9 | Confident | 73.2 | Confident | 124 Ų | 124 | 73.8 Ų | 73.8 | 54% | 0.544 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 105 | -178.2 | -150.3 | -89.4 | 0 | 0 | 0 | 110.2 | L1003 S1008 | L1003-F1010 WeakPolarHBondContact O-CB 3.46Å; L1003-F1010 PolarHBondContact O-N 3.05Å; S1008-F1010 PolarHBondContact O-N 2.75Å |
| 1011 | S | 60.7 | Low | 72.3 | Confident | 32 Ų | 32 | 75 Ų | 75 | 22% | 0.224 | 39% | 0.391 | C | S | . | . | trans | -115.1 | 132.5 | 175.3 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | P999 W1009 P1016 | P999-S1011 WeakPolarHBondContact CD-OG 3.38Å; P999-S1011 WeakPolarHBondContact CG-OG 3.34Å; W1009-S1011 PolarHBondContact O-N 3.46Å; W1009-S1011 VanDerWaalsContact O-N 3.11Å; S1011-P1016 WeakPolarHBondContact OG-CD 3.29Å | ||
| 1012 | T | 56.5 | Low | 70.6 | Confident | 102 Ų | 102 | 73.6 Ų | 73.6 | 63% | 0.626 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 142.8 | 156.4 | 44.2 | 0 | 0 | 0 | 0 | 108.6 | P1014 | T1012-P1014 CarbonylContact O-C 3.5Š|
| 1013 | S | 56.6 | Low | 69.2 | Low | 121 Ų | 121 | 82.1 Ų | 82.1 | 85% | 0.846 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -76.8 | 137.4 | 179.9 | -163.4 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1014 | P | 63.3 | Low | 67.7 | Low | 68 Ų | 68 | 80.6 Ų | 80.6 | 44% | 0.442 | 43% | 0.431 | S | S | . | . | S | Bend | cis | -78.8 | 153.7 | 4.8 | 33.1 | -36.6 | 0 | 0 | 0 | 114.1 | G998 P999 T1012 | G998-P1014 WeakPolarHBondContact CA-O 3Å; P999-P1014 WeakPolarHBondContact CD-O 3.4Å; T1012-P1014 CarbonylContact O-C 3.5Å |
| 1015 | K | 65.6 | Low | 66.7 | Low | 172 Ų | 172 | 81.1 Ų | 81.1 | 75% | 0.748 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -49.9 | 145 | 168.3 | -76.2 | -170.4 | 175 | -171.6 | 0 | 111 | Y1017 | K1015-Y1017 WeakPolarHBondContact O-CD1 3.41Å; K1015-Y1017 PolarHBondContact O-N 2.83Å |
| 1016 | P | 75.3 | Confident | 66.2 | Low | 16 Ų | 16 | 75 Ų | 75 | 10% | 0.104 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 124.7 | -177 | 30.2 | -35.7 | 0 | 0 | 0 | 111.8 | F958 M961 L986 L996 V997 P999 V1002 S1011 | F958-P1016 HydrophobicContact CE1-CG 4.3Å; M961-P1016 HydrophobicContact CE-CB 3.91Å; M961-P1016 HydrophobicContact CE-CG 4.28Å; L986-P1016 HydrophobicContact CD1-CB 3.65Å; L986-P1016 HydrophobicContact CD1-CG 3.35Å; L996-P1016 HydrophobicContact CD1-CB 4.22Å; V997-P1016 CarbonylContact O-C 3.54Å; V997-P1016 VanDerWaalsContact O-CA 3.28Å; V997-P1016 WeakPolarHBondContact O-CA 3.13Å; P999-P1016 WeakPolarHBondContact O-CB 3.49Å; V1002-P1016 HydrophobicContact CG1-CG 4.14Å; S1011-P1016 WeakPolarHBondContact OG-CD 3.29Å |
| 1017 | Y | 77.4 | Confident | 66.3 | Low | 112 Ų | 112 | 69.3 Ų | 69.3 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 155.7 | 176 | 73.2 | -82 | 0 | 0 | 0 | 112.3 | V997 K1015 R1019 | V997-Y1017 HydrophobicContact CB-CD1 4.12Å; V997-Y1017 HydrophobicContact CB-CE1 3.66Å; V997-Y1017 HydrophobicContact CB-CE2 4.36Å; V997-Y1017 HydrophobicContact CG1-CD1 4.4Å; V997-Y1017 HydrophobicContact CG1-CE1 3.57Å; V997-Y1017 PolarHBondContact N-O 3.41Å; V997-Y1017 PolarHBondContact O-N 3.14Å; K1015-Y1017 WeakPolarHBondContact O-CD1 3.41Å; K1015-Y1017 PolarHBondContact O-N 2.83Å; Y1017-R1019 HydrophobicContact CD2-CB 4.25Å; Y1017-R1019 HydrophobicContact CE2-CB 3.67Å; Y1017-R1019 HydrophobicContact CE2-CG 4.16Å; Y1017-R1019 PolarHBondContact O-N 2.79Å |
| 1018 | C | 68.3 | Low | 66.5 | Low | 15 Ų | 15 | 69.6 Ų | 69.6 | 10% | 0.101 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 101.5 | 177.3 | -75 | 0 | 0 | 0 | 0 | 111.2 | H960 M961 C988 F994 | H960-C1018 HydrophobicContact CB-CB 4.3Å; M961-C1018 WeakPolarHBondContact CG-SG 3.26Å; C988-C1018 WeakPolarHBondContact CA-SG 3.37Å; C988-C1018 HydrophobicContact CB-CB 4.06Å; C988-C1018 WeakPolarHBondContact CB-SG 3.26Å; C988-C1018 VanDerWaalsContact SG-CA 3.6Å; C988-C1018 WeakPolarHBondContact SG-CB 3.28Å; C988-C1018 CovalentContact SG-SG 2.04Å; C988-C1018 PolarHBondContact SG-SG 2.92Å; F994-C1018 HydrophobicContact CB-CB 3.96Å; F994-C1018 HydrophobicContact CD1-CB 4.18Å; F994-C1018 HydrophobicContact CG-CB 4.35Å |
| 1019 | R | 69.5 | Low | 66.8 | Low | 115 Ų | 115 | 70.9 Ų | 70.9 | 43% | 0.434 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 131.2 | 176.4 | -171.3 | 177 | 65.3 | 172.4 | -2 | 110.6 | F994 Q995 V997 Y1017 I1021 | F994-R1019 CarbonylContact C-O 3.56Å; F994-R1019 VanDerWaalsContact CA-O 3.31Å; F994-R1019 WeakPolarHBondContact CA-O 3.16Å; Q995-R1019 PolarHBondContact N-O 3.2Å; Q995-R1019 PolarHBondContact O-N 2.78Å; V997-R1019 HydrophobicContact CG2-CB 3.7Å; Y1017-R1019 HydrophobicContact CD2-CB 4.25Å; Y1017-R1019 HydrophobicContact CE2-CB 3.67Å; Y1017-R1019 HydrophobicContact CE2-CG 4.16Å; Y1017-R1019 PolarHBondContact O-N 2.79Å; R1019-I1021 PolarHBondContact O-N 2.03Å |
| 1020 | P | 58.3 | Low | 66.8 | Low | 57 Ų | 57 | 74.6 Ų | 74.6 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 132.3 | 172.5 | -27.4 | 35 | 0 | 0 | 0 | 112.8 | F994 G1022 F1090 | F994-P1020 HydrophobicContact CD1-CB 4.49Å; F994-P1020 HydrophobicContact CD1-CG 4.12Å; F994-P1020 HydrophobicContact CE1-CB 4.47Å; F994-P1020 HydrophobicContact CE1-CG 3.88Å; P1020-G1022 VanDerWaalsContact C-N 3.29Å; P1020-G1022 PolarHBondContact O-N 2.8Å; P1020-F1090 HydrophobicContact CB-CD1 4.03Å; P1020-F1090 HydrophobicContact CB-CE1 4.13Å; P1020-F1090 HydrophobicContact CG-CD1 4.04Å |
| 1021 | I | 58.3 | Low | 66.7 | Low | 61 Ų | 61 | 71 Ų | 71 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | trans | -81.5 | 80.5 | 171.7 | -52.8 | -176.5 | 0 | 0 | 0 | 107.9 | L993 Q995 R1019 R1023 | L993-I1021 PolarHBondContact O-N 3.48Å; Q995-I1021 HydrophobicContact CB-CD1 3.92Å; Q995-I1021 HydrophobicContact CB-CG1 3.72Å; R1019-I1021 PolarHBondContact O-N 2.03Å; I1021-R1023 WeakPolarHBondContact CG2-O 3.47Å; I1021-R1023 PolarHBondContact O-N 2.04Å | ||
| 1022 | G | 50.2 | Low | 67.2 | Low | 76 Ų | 76 | 73.7 Ų | 73.7 | 78% | 0.784 | 39% | 0.392 | S | S | * | . | trans | -66.8 | 23.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | P1020 | P1020-G1022 VanDerWaalsContact C-N 3.29Å; P1020-G1022 PolarHBondContact O-N 2.8Å | ||
| 1023 | R | 56.3 | Low | 67.5 | Low | 184 Ų | 184 | 75 Ų | 75 | 69% | 0.694 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -143.5 | 101.3 | -179.4 | -67.6 | -173.6 | 178.1 | -171.1 | -2.2 | 109.3 | I1021 | I1021-R1023 WeakPolarHBondContact CG2-O 3.47Å; I1021-R1023 PolarHBondContact O-N 2.04Å |
| 1024 | P | 56.5 | Low | 67.5 | Low | 40 Ų | 40 | 71 Ų | 71 | 26% | 0.26 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -60.4 | 155.9 | 172.3 | 25.2 | -32.7 | 0 | 0 | 0 | 110.9 | L1057 Y1058 P1059 R1131 | P1024-L1057 WeakPolarHBondContact CB-O 3.44Å; P1024-Y1058 HydrophobicContact CB-CD2 3.92Å; P1024-Y1058 HydrophobicContact CB-CE2 4.47Å; P1024-Y1058 HydrophobicContact CG-CD2 4.3Å; P1024-P1059 HydrophobicContact CG-CG 4.18Å; P1024-R1131 PolarHBondContact O-NH2 3.25Å |
| 1025 | P | 65.9 | Low | 67.1 | Low | 11 Ų | 11 | 69.3 Ų | 69.3 | 7% | 0.071 | 36% | 0.356 | C | S | . | . | cis | -87.7 | 141.6 | 21.4 | 32.3 | -32 | 0 | 0 | 0 | 115 | C1056 Y1058 C1125 D1127 R1131 H1133 | P1025-C1056 WeakPolarHBondContact CB-SG 3.44Å; P1025-Y1058 HydrophobicContact CB-CD2 4.18Å; P1025-C1125 HydrophobicContact CB-CB 4.41Å; P1025-D1127 HydrophobicContact CG-CB 4.04Å; P1025-R1131 WeakPolarHBondContact CG-O 3.29Å; P1025-H1133 WeakPolarHBondContact O-CB 3.22Å | ||
| 1026 | A | 72.9 | Confident | 66.9 | Low | 6 Ų | 6 | 61.7 Ų | 61.7 | 5% | 0.05 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 137.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | G992 L993 C1056 L1057 | G992-A1026 WeakPolarHBondContact O-CB 3.43Å; L993-A1026 HydrophobicContact CD2-CB 4.23Å; A1026-C1056 CarbonylContact O-C 3.36Å; A1026-C1056 WeakPolarHBondContact O-CA 3.31Å; A1026-L1057 HydrophobicContact CB-CB 4.36Å; A1026-L1057 HydrophobicContact CB-CD1 4.36Å; A1026-L1057 PolarHBondContact N-O 2.99Å; A1026-L1057 PolarHBondContact O-N 3.39Å |
| 1027 | I | 80.8 | Confident | 66.1 | Low | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.7 | -179.5 | -58 | 170.9 | 0 | 0 | 0 | 110.3 | L1054 W1067 C1125 H1133 I1135 | I1027-L1054 HydrophobicContact CG2-CB 4.26Å; I1027-L1054 HydrophobicContact CG2-CD2 4.36Å; I1027-W1067 HydrophobicContact CD1-CH2 3.89Å; I1027-W1067 HydrophobicContact CD1-CZ3 3.78Å; I1027-W1067 HydrophobicContact CG1-CH2 3.88Å; I1027-W1067 HydrophobicContact CG1-CZ3 4.28Å; I1027-W1067 HydrophobicContact CG2-CH2 3.99Å; I1027-C1125 HydrophobicContact CD1-CB 4.12Å; I1027-C1125 HydrophobicContact CG1-CB 3.96Å; I1027-H1133 VanDerWaalsContact CA-CE1 3.5Å; I1027-H1133 WeakPolarHBondContact CA-CE1 3.19Å; I1027-H1133 WeakPolarHBondContact CB-CE1 3.41Å; I1027-H1133 HydrophobicContact CD1-CB 4.42Å; I1027-H1133 WeakPolarHBondContact CD1-CE1 3.28Å; I1027-H1133 HydrophobicContact CG1-CB 4.31Å; I1027-H1133 WeakPolarHBondContact CG1-CE1 3.48Å; I1027-H1133 WeakPolarHBondContact CG1-ND1 3.36Å; I1027-H1133 PolarHBondContact N-CE1 2.78Å; I1027-I1135 HydrophobicContact CD1-CG2 4.06Å; I1027-I1135 HydrophobicContact CG2-CG2 4.09Å |
| 1028 | V | 78 | Confident | 65.2 | Low | 41 Ų | 41 | 59.4 Ų | 59.4 | 25% | 0.248 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 153.9 | 163.9 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | D1055 L1057 | V1028-D1055 HydrophobicContact CB-CB 4.31Å; V1028-D1055 PolarHBondContact N-O 2.86Å; V1028-D1055 PolarHBondContact O-N 2.88Å; V1028-L1057 HydrophobicContact CG2-CD1 3.78Å; V1028-L1057 HydrophobicContact CG2-CD2 4.27Å; V1028-L1057 HydrophobicContact CG2-CG 3.96Å |
| 1029 | F | 82.8 | Confident | 64.3 | Low | 83 Ų | 83 | 59.6 Ų | 59.6 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 152.9 | 176.3 | 69.6 | -91.9 | 0 | 0 | 0 | 112.5 | L1044 L1052 Q1053 L1054 I1135 | F1029-L1044 HydrophobicContact CB-CD2 4.1Å; F1029-L1044 HydrophobicContact CD1-CD1 4.35Å; F1029-L1044 HydrophobicContact CD1-CD2 4.32Å; F1029-L1044 HydrophobicContact CD2-CD1 3.81Å; F1029-L1044 HydrophobicContact CD2-CD2 3.9Å; F1029-L1044 HydrophobicContact CE1-CD1 4.06Å; F1029-L1044 HydrophobicContact CE2-CD1 3.49Å; F1029-L1044 VanDerWaalsContact CE2-CD1 3.49Å; F1029-L1044 HydrophobicContact CE2-CD2 4.45Å; F1029-L1044 HydrophobicContact CG-CD1 4.24Å; F1029-L1044 HydrophobicContact CG-CD2 3.84Å; F1029-L1044 HydrophobicContact CZ-CD1 3.63Å; F1029-L1052 HydrophobicContact CB-CD1 4.41Å; F1029-Q1053 WeakPolarHBondContact CA-O 3.49Å; F1029-L1054 HydrophobicContact CB-CD2 3.65Å; F1029-I1135 HydrophobicContact CD1-CD1 3.98Å |
| 1030 | R | 76.7 | Confident | 63 | Low | 123 Ų | 123 | 56.2 Ų | 56.2 | 46% | 0.464 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 151.4 | 170.2 | 66.4 | -173.4 | -159.8 | 153.5 | 7.3 | 111 | Q1053 | R1030-Q1053 HydrophobicContact CG-CB 3.95Å; R1030-Q1053 VanDerWaalsContact CZ-OE1 3.27Å; R1030-Q1053 PolarHBondContact N-O 2.87Å; R1030-Q1053 PolarHBondContact O-N 3.04Å |
| 1031 | T | 70.6 | Confident | 62.5 | Low | 49 Ų | 49 | 56.2 Ų | 56.2 | 30% | 0.301 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 137 | 165.4 | 50.9 | 0 | 0 | 0 | 0 | 110.7 | G1034 A1036 T1051 L1052 | T1031-G1034 VanDerWaalsContact CB-O 3.3Å; T1031-G1034 WeakPolarHBondContact CB-O 3.07Å; T1031-G1034 PolarHBondContact OG1-O 3.44Å; T1031-A1036 HydrophobicContact CG2-CB 3.87Å; T1031-T1051 CarbonylContact C-O 3.58Å; T1031-T1051 WeakPolarHBondContact CA-O 3.49Å; T1031-L1052 HydrophobicContact CG2-CD1 4.28Å |
| 1032 | V | 71.5 | Confident | 62.2 | Low | 89 Ų | 89 | 54.8 Ų | 54.8 | 54% | 0.539 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -31.4 | 172.4 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | T1051 Q1053 | V1032-T1051 HydrophobicContact CB-CG2 4.06Å; V1032-T1051 HydrophobicContact CG2-CG2 4.37Å; V1032-T1051 PolarHBondContact N-O 2.87Å; V1032-Q1053 HydrophobicContact CG2-CG 3.83Å |
| 1033 | Q | 61.9 | Low | 63 | Low | 128 Ų | 128 | 51.9 Ų | 51.9 | 60% | 0.598 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 141.1 | 179.2 | -170.9 | 177.5 | 12 | 0 | 0 | 107.4 | S1050 T1051 | Q1033-S1050 CarbonylContact O-C 3.58Å; Q1033-S1050 WeakPolarHBondContact O-CA 3.49Å; Q1033-S1050 WeakPolarHBondContact O-CB 3.13Å; Q1033-T1051 PolarHBondContact O-N 2.87Å |
| 1034 | G | 56.5 | Low | 63.8 | Low | 37 Ų | 37 | 43.2 Ų | 43.2 | 38% | 0.381 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 66.8 | -159 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1031 | T1031-G1034 VanDerWaalsContact CB-O 3.3Å; T1031-G1034 WeakPolarHBondContact CB-O 3.07Å; T1031-G1034 PolarHBondContact OG1-O 3.44Å |
| 1035 | D | 56.3 | Low | 64.6 | Low | 34 Ų | 34 | 42.3 Ų | 42.3 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | trans | -132.9 | 141.3 | -157.7 | -76.7 | -76.7 | 0 | 0 | 0 | 114.3 | L765 K804 V1046 R1047 S1050 | L765-D1035 WeakPolarHBondContact CD1-OD2 3.2Å; K804-D1035 WeakPolarHBondContact CE-OD1 3.04Å; K804-D1035 IonicContact NZ-OD1 3.99Å; K804-D1035 PolarHBondContact NZ-OD1 2.83Å; D1035-V1046 WeakPolarHBondContact O-CA 3.41Å; D1035-R1047 HydrophobicContact CB-CB 4.17Å; D1035-R1047 PolarHBondContact O-N 3.26Å; D1035-S1050 PolarHBondContact N-OG 2.91Å; D1035-S1050 PolarHBondContact O-OG 3.02Å | ||
| 1036 | A | 61.2 | Low | 64.9 | Low | 12 Ų | 12 | 41.8 Ų | 41.8 | 10% | 0.099 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 159.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K804 T1031 L1044 I1045 V1046 | K804-A1036 WeakPolarHBondContact CE-O 3.5Å; K804-A1036 PolarHBondContact NZ-O 2.97Å; T1031-A1036 HydrophobicContact CG2-CB 3.87Å; A1036-L1044 HydrophobicContact CB-CD1 3.84Å; A1036-L1044 HydrophobicContact CB-CD2 4.45Å; A1036-L1044 HydrophobicContact CB-CG 4.15Å; A1036-I1045 CarbonylContact C-O 3.32Å; A1036-I1045 WeakPolarHBondContact CA-O 3.43Å; A1036-V1046 HydrophobicContact CB-CG2 3.88Å |
| 1037 | S | 58.6 | Low | 64.5 | Low | 16 Ų | 16 | 45.7 Ų | 45.7 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 139.1 | 168.6 | -169.2 | 0 | 0 | 0 | 0 | 110 | I1045 | S1037-I1045 PolarHBondContact N-O 3.3Å; S1037-I1045 WeakPolarHBondContact O-CA 3.32Å; S1037-I1045 WeakPolarHBondContact O-CB 3.08Å; S1037-I1045 PolarHBondContact O-N 3.5Å |
| 1038 | P | 56.9 | Low | 64.1 | Low | 63 Ų | 63 | 51.6 Ų | 51.6 | 41% | 0.409 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 149.8 | 167.6 | 30.4 | -34.5 | 0 | 0 | 0 | 111.1 | D1043 | P1038-D1043 CarbonylContact C-O 3.58Å; P1038-D1043 WeakPolarHBondContact CA-O 3.03Å |
| 1039 | S | 50.3 | Low | 63.9 | Low | 19 Ų | 19 | 52.9 Ų | 52.9 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | trans | -94.4 | 169.1 | 168.4 | 65.9 | 0 | 0 | 0 | 0 | 112 | S1041 G1042 D1043 | S1039-S1041 PolarHBondContact O-N 2.93Å; S1039-S1041 PolarHBondContact OG-N 2.7Å; S1039-S1041 PolarHBondContact OG-OG 3.37Å; S1039-G1042 PolarHBondContact O-N 3.38Å; S1039-G1042 PolarHBondContact OG-N 2.85Å; S1039-D1043 PolarHBondContact N-O 3.09Å; S1039-D1043 PolarHBondContact OG-N 3.28Å; S1039-D1043 PolarHBondContact OG-O 3.47Å | ||
| 1040 | S | 43.4 | Very low | 63.5 | Low | 45 Ų | 45 | 49 Ų | 49 | 32% | 0.315 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -29.5 | 168.2 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | G1042 | S1040-G1042 PolarHBondContact O-N 2.78Š|
| 1041 | S | 47.6 | Very low | 63.8 | Low | 56 Ų | 56 | 43.4 Ų | 43.4 | 39% | 0.392 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -0.9 | 172 | 59.4 | 0 | 0 | 0 | 0 | 114.7 | R987 S1039 D1043 | R987-S1041 VanDerWaalsContact NH1-C 3.3Å; R987-S1041 PolarHBondContact NH1-O 2.75Å; S1039-S1041 PolarHBondContact O-N 2.93Å; S1039-S1041 PolarHBondContact OG-N 2.7Å; S1039-S1041 PolarHBondContact OG-OG 3.37Å; S1041-D1043 VanDerWaalsContact C-N 3.28Å; S1041-D1043 WeakPolarHBondContact CB-OD2 3.28Å; S1041-D1043 PolarHBondContact O-N 3.32Å; S1041-D1043 PolarHBondContact OG-OD2 3.04Å |
| 1042 | G | 52.1 | Low | 64.6 | Low | 31 Ų | 31 | 41.1 Ų | 41.1 | 32% | 0.32 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 75.6 | 10.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1039 S1040 | S1039-G1042 PolarHBondContact O-N 3.38Å; S1039-G1042 PolarHBondContact OG-N 2.85Å; S1040-G1042 PolarHBondContact O-N 2.78Å |
| 1043 | D | 65.8 | Low | 65.5 | Low | 16 Ų | 16 | 37.6 Ų | 37.6 | 9% | 0.086 | 22% | 0.218 | C | C | . | . | trans | -82.9 | 138.6 | 174.1 | -59.7 | -66.1 | 0 | 0 | 0 | 110.1 | P1038 S1039 S1041 I1045 R1136 I1138 | P1038-D1043 CarbonylContact C-O 3.58Å; P1038-D1043 WeakPolarHBondContact CA-O 3.03Å; S1039-D1043 PolarHBondContact N-O 3.09Å; S1039-D1043 PolarHBondContact OG-N 3.28Å; S1039-D1043 PolarHBondContact OG-O 3.47Å; S1041-D1043 VanDerWaalsContact C-N 3.28Å; S1041-D1043 WeakPolarHBondContact CB-OD2 3.28Å; S1041-D1043 PolarHBondContact O-N 3.32Å; S1041-D1043 PolarHBondContact OG-OD2 3.04Å; D1043-I1045 HydrophobicContact CB-CD1 4.22Å; D1043-I1045 PolarHBondContact O-N 3.03Å; D1043-R1136 WeakPolarHBondContact OD1-CB 3.47Å; D1043-R1136 WeakPolarHBondContact OD1-CD 3.5Å; D1043-R1136 WeakPolarHBondContact OD1-CG 3.35Å; D1043-R1136 IonicContact OD1-CZ 3.95Å; D1043-R1136 IonicContact OD1-NE 2.84Å; D1043-R1136 IonicContact OD1-NH1 2.93Å; D1043-R1136 PolarHBondContact OD1-NH1 2.81Å; D1043-R1136 IonicContact OD2-NH1 2.78Å; D1043-R1136 PolarHBondContact OD2-NH1 3.06Å; D1043-R1136 VanDerWaalsContact OD2-NH1 3.09Å; D1043-I1138 HydrophobicContact CB-CD1 3.65Å; D1043-I1138 HydrophobicContact CB-CG1 4.17Å | ||
| 1044 | L | 73.9 | Confident | 66.9 | Low | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 101.1 | 172.6 | -172.5 | 65.1 | 0 | 0 | 0 | 109.6 | F1029 A1036 V1046 L1052 L1054 I1135 R1136 V1137 I1138 | F1029-L1044 HydrophobicContact CB-CD2 4.1Å; F1029-L1044 HydrophobicContact CD1-CD1 4.35Å; F1029-L1044 HydrophobicContact CD1-CD2 4.32Å; F1029-L1044 HydrophobicContact CD2-CD1 3.81Å; F1029-L1044 HydrophobicContact CD2-CD2 3.9Å; F1029-L1044 HydrophobicContact CE1-CD1 4.06Å; F1029-L1044 HydrophobicContact CE2-CD1 3.49Å; F1029-L1044 VanDerWaalsContact CE2-CD1 3.49Å; F1029-L1044 HydrophobicContact CE2-CD2 4.45Å; F1029-L1044 HydrophobicContact CG-CD1 4.24Å; F1029-L1044 HydrophobicContact CG-CD2 3.84Å; F1029-L1044 HydrophobicContact CZ-CD1 3.63Å; A1036-L1044 HydrophobicContact CB-CD1 3.84Å; A1036-L1044 HydrophobicContact CB-CD2 4.45Å; A1036-L1044 HydrophobicContact CB-CG 4.15Å; L1044-V1046 HydrophobicContact CD2-CG2 4.28Å; L1044-V1046 HydrophobicContact CG-CG2 4.02Å; L1044-L1052 HydrophobicContact CD2-CD1 3.88Å; L1044-L1052 HydrophobicContact CD2-CD2 4.26Å; L1044-L1054 HydrophobicContact CD2-CD2 4.48Å; L1044-I1135 HydrophobicContact CB-CD1 4.1Å; L1044-I1135 HydrophobicContact CB-CG1 4.27Å; L1044-I1135 HydrophobicContact CD2-CD1 3.96Å; L1044-R1136 PolarHBondContact N-O 3.33Å; L1044-V1137 HydrophobicContact CB-CG2 4.47Å; L1044-V1137 HydrophobicContact CD2-CG2 4.4Å; L1044-V1137 WeakPolarHBondContact O-CA 3.48Å; L1044-I1138 PolarHBondContact O-N 3.46Å |
| 1045 | I | 72 | Confident | 68.5 | Low | 20 Ų | 20 | 29.8 Ų | 29.8 | 10% | 0.103 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 125 | 174.6 | -48.8 | -54 | 0 | 0 | 0 | 108.7 | I802 A1036 S1037 D1043 I1138 K1140 | I802-I1045 HydrophobicContact CD1-CG2 4.25Å; A1036-I1045 CarbonylContact C-O 3.32Å; A1036-I1045 WeakPolarHBondContact CA-O 3.43Å; S1037-I1045 PolarHBondContact N-O 3.3Å; S1037-I1045 WeakPolarHBondContact O-CA 3.32Å; S1037-I1045 WeakPolarHBondContact O-CB 3.08Å; S1037-I1045 PolarHBondContact O-N 3.5Å; D1043-I1045 HydrophobicContact CB-CD1 4.22Å; D1043-I1045 PolarHBondContact O-N 3.03Å; I1045-I1138 WeakPolarHBondContact CA-O 3.5Å; I1045-I1138 HydrophobicContact CD1-CB 4.02Å; I1045-I1138 HydrophobicContact CD1-CD1 4.26Å; I1045-I1138 HydrophobicContact CD1-CG2 4.48Å; I1045-K1140 HydrophobicContact CG2-CB 4.41Å; I1045-K1140 HydrophobicContact CG2-CD 4.01Å; I1045-K1140 HydrophobicContact CG2-CG 4.12Å |
| 1046 | V | 74 | Confident | 70 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 137.1 | -177.2 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | D1035 A1036 L1044 L1052 A1115 V1137 I1138 I1139 K1140 | D1035-V1046 WeakPolarHBondContact O-CA 3.41Å; A1036-V1046 HydrophobicContact CB-CG2 3.88Å; L1044-V1046 HydrophobicContact CD2-CG2 4.28Å; L1044-V1046 HydrophobicContact CG-CG2 4.02Å; V1046-L1052 HydrophobicContact CG2-CD2 4.25Å; V1046-A1115 HydrophobicContact CG1-CB 4.09Å; V1046-V1137 HydrophobicContact CB-CG1 4.47Å; V1046-V1137 HydrophobicContact CG2-CG1 3.75Å; V1046-I1138 PolarHBondContact N-O 2.84Å; V1046-I1139 HydrophobicContact CB-CG1 3.78Å; V1046-I1139 HydrophobicContact CG1-CG1 4.08Å; V1046-I1139 CarbonylContact O-C 3.43Å; V1046-I1139 VanDerWaalsContact O-CA 3.31Å; V1046-I1139 WeakPolarHBondContact O-CA 3.28Å; V1046-K1140 PolarHBondContact O-N 3.21Å |
| 1047 | R | 64.5 | Low | 71.1 | Confident | 87 Ų | 87 | 28.1 Ų | 28.1 | 33% | 0.328 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 137.8 | 176.2 | -175.6 | 178.9 | -177.4 | 162.3 | 4.9 | 109.9 | P766 D1035 S1050 | P766-R1047 PolarHBondContact O-NH2 2.88Å; D1035-R1047 HydrophobicContact CB-CB 4.17Å; D1035-R1047 PolarHBondContact O-N 3.26Å; R1047-S1050 VanDerWaalsContact O-CB 3.23Å; R1047-S1050 WeakPolarHBondContact O-CB 3.44Å; R1047-S1050 PolarHBondContact O-N 3.28Å; R1047-S1050 VanDerWaalsContact O-N 3.14Å; R1047-S1050 PolarHBondContact O-OG 3.2Å |
| 1048 | R | 72.4 | Confident | 72.2 | Confident | 131 Ų | 131 | 27.7 Ų | 27.7 | 49% | 0.494 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 142.9 | 171.4 | -167.9 | -175.7 | -172.8 | -171.3 | 2.9 | 111.3 | S1050 A1115 K1140 | R1048-S1050 PolarHBondContact O-N 3.06Å; R1048-A1115 CarbonylContact C-O 3.5Å; R1048-A1115 WeakPolarHBondContact CA-O 3.37Å; R1048-K1140 PolarHBondContact N-O 2.84Å |
| 1049 | S | 73.4 | Confident | 73 | Confident | 69 Ų | 69 | 26.2 Ų | 26.2 | 48% | 0.483 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 5.4 | -175.4 | -53.6 | 0 | 0 | 0 | 0 | 116.4 | A1115 | S1049-A1115 PolarHBondContact N-O 3.18Š|
| 1050 | S | 74.4 | Confident | 74.4 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | trans | -69.6 | 146.9 | 172.5 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | Q1033 D1035 R1047 R1048 M1114 A1115 | Q1033-S1050 CarbonylContact O-C 3.58Å; Q1033-S1050 WeakPolarHBondContact O-CA 3.49Å; Q1033-S1050 WeakPolarHBondContact O-CB 3.13Å; D1035-S1050 PolarHBondContact N-OG 2.91Å; D1035-S1050 PolarHBondContact O-OG 3.02Å; R1047-S1050 VanDerWaalsContact O-CB 3.23Å; R1047-S1050 WeakPolarHBondContact O-CB 3.44Å; R1047-S1050 PolarHBondContact O-N 3.28Å; R1047-S1050 VanDerWaalsContact O-N 3.14Å; R1047-S1050 PolarHBondContact O-OG 3.2Å; R1048-S1050 PolarHBondContact O-N 3.06Å; S1050-M1114 PolarHBondContact O-N 2.84Å; S1050-A1115 WeakPolarHBondContact O-CB 3.32Å; S1050-A1115 PolarHBondContact O-N 3.05Å | ||
| 1051 | T | 82 | Confident | 76 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 104.4 | 168.6 | -67.8 | 0 | 0 | 0 | 0 | 108.8 | T1031 V1032 Q1033 T1111 V1112 Y1113 M1114 | T1031-T1051 CarbonylContact C-O 3.58Å; T1031-T1051 WeakPolarHBondContact CA-O 3.49Å; V1032-T1051 HydrophobicContact CB-CG2 4.06Å; V1032-T1051 HydrophobicContact CG2-CG2 4.37Å; V1032-T1051 PolarHBondContact N-O 2.87Å; Q1033-T1051 PolarHBondContact O-N 2.87Å; T1051-T1111 HydrophobicContact CG2-CG2 3.93Å; T1051-V1112 WeakPolarHBondContact CA-O 3.14Å; T1051-Y1113 HydrophobicContact CG2-CD1 3.51Å; T1051-Y1113 HydrophobicContact CG2-CE1 3.86Å; T1051-Y1113 HydrophobicContact CG2-CG 4.42Å; T1051-M1114 PolarHBondContact OG1-N 3.02Å |
| 1052 | L | 88.4 | Confident | 77.1 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 135.7 | -179.9 | 176.4 | 72.4 | 0 | 0 | 0 | 110.2 | F1029 T1031 L1044 V1046 L1054 T1111 V1112 V1137 | F1029-L1052 HydrophobicContact CB-CD1 4.41Å; T1031-L1052 HydrophobicContact CG2-CD1 4.28Å; L1044-L1052 HydrophobicContact CD2-CD1 3.88Å; L1044-L1052 HydrophobicContact CD2-CD2 4.26Å; V1046-L1052 HydrophobicContact CG2-CD2 4.25Å; L1052-L1054 HydrophobicContact CD1-CD2 4.24Å; L1052-L1054 HydrophobicContact CD2-CD2 3.98Å; L1052-L1054 HydrophobicContact CD2-CG 4.15Å; L1052-L1054 HydrophobicContact CG-CD2 4.11Å; L1052-L1054 HydrophobicContact CG-CG 4.31Å; L1052-T1111 WeakPolarHBondContact O-CA 3.38Å; L1052-V1112 HydrophobicContact CB-CB 4.29Å; L1052-V1112 PolarHBondContact N-O 3.44Å; L1052-V1112 PolarHBondContact O-N 2.85Å; L1052-V1137 HydrophobicContact CD2-CG1 3.97Å; L1052-V1137 HydrophobicContact CD2-CG2 4.2Å |
| 1053 | Q | 90.5 | Very high | 78.2 | Confident | 15 Ų | 15 | 36.6 Ų | 36.6 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.7 | 168.1 | -71.5 | -176.3 | -23.4 | 0 | 0 | 109.3 | F1029 R1030 V1032 R1109 L1110 T1111 | F1029-Q1053 WeakPolarHBondContact CA-O 3.49Å; R1030-Q1053 HydrophobicContact CG-CB 3.95Å; R1030-Q1053 VanDerWaalsContact CZ-OE1 3.27Å; R1030-Q1053 PolarHBondContact N-O 2.87Å; R1030-Q1053 PolarHBondContact O-N 3.04Å; V1032-Q1053 HydrophobicContact CG2-CG 3.83Å; Q1053-R1109 HydrophobicContact CB-CG 4.39Å; Q1053-R1109 HydrophobicContact CG-CG 4.45Å; Q1053-L1110 WeakPolarHBondContact CA-O 3.26Å; Q1053-T1111 HydrophobicContact CG-CG2 3.79Å |
| 1054 | L | 91.4 | Very high | 79 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 116.9 | 172.8 | -60.4 | -178.7 | 0 | 0 | 0 | 107.8 | I1027 F1029 L1044 L1052 W1067 R1109 L1110 F1123 I1135 V1137 | I1027-L1054 HydrophobicContact CG2-CB 4.26Å; I1027-L1054 HydrophobicContact CG2-CD2 4.36Å; F1029-L1054 HydrophobicContact CB-CD2 3.65Å; L1044-L1054 HydrophobicContact CD2-CD2 4.48Å; L1052-L1054 HydrophobicContact CD1-CD2 4.24Å; L1052-L1054 HydrophobicContact CD2-CD2 3.98Å; L1052-L1054 HydrophobicContact CD2-CG 4.15Å; L1052-L1054 HydrophobicContact CG-CD2 4.11Å; L1052-L1054 HydrophobicContact CG-CG 4.31Å; L1054-W1067 HydrophobicContact CB-CH2 3.56Å; L1054-W1067 HydrophobicContact CB-CZ2 3.98Å; L1054-W1067 HydrophobicContact CB-CZ3 4.28Å; L1054-W1067 HydrophobicContact CD1-CH2 4.35Å; L1054-W1067 HydrophobicContact CD1-CZ3 4.28Å; L1054-W1067 WeakPolarHBondContact O-CZ2 3.29Å; L1054-R1109 CarbonylContact O-C 3.6Å; L1054-R1109 WeakPolarHBondContact O-CA 3.45Å; L1054-L1110 HydrophobicContact CD1-CD2 4.49Å; L1054-L1110 PolarHBondContact N-O 2.81Å; L1054-L1110 PolarHBondContact O-N 3.26Å; L1054-F1123 HydrophobicContact CD1-CB 3.69Å; L1054-F1123 HydrophobicContact CD1-CD1 3.86Å; L1054-F1123 HydrophobicContact CD1-CD2 4.25Å; L1054-F1123 HydrophobicContact CD1-CG 3.67Å; L1054-I1135 HydrophobicContact CD1-CG2 4.05Å; L1054-I1135 HydrophobicContact CD2-CG2 4.29Å; L1054-V1137 HydrophobicContact CD1-CG2 4.49Å |
| 1055 | D | 89.3 | Confident | 79.6 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 103.3 | -173.7 | -68.7 | -16.4 | 0 | 0 | 0 | 108.8 | V1028 L1057 V1083 A1107 R1109 | V1028-D1055 HydrophobicContact CB-CB 4.31Å; V1028-D1055 PolarHBondContact N-O 2.86Å; V1028-D1055 PolarHBondContact O-N 2.88Å; D1055-L1057 PolarHBondContact O-N 2.94Å; D1055-V1083 HydrophobicContact CB-CG2 4.19Å; D1055-A1107 HydrophobicContact CB-CB 4.16Å; D1055-R1109 VanDerWaalsContact CG-NH2 3.29Å; D1055-R1109 WeakPolarHBondContact OD1-CB 3.07Å; D1055-R1109 WeakPolarHBondContact OD1-CG 3.34Å; D1055-R1109 IonicContact OD1-CZ 4Å; D1055-R1109 VanDerWaalsContact OD1-CZ 3.3Å; D1055-R1109 IonicContact OD1-NE 2.88Å; D1055-R1109 PolarHBondContact OD1-NE 2.02Å; D1055-R1109 IonicContact OD1-NH2 3.87Å; D1055-R1109 PolarHBondContact OD1-NH2 3.38Å; D1055-R1109 VanDerWaalsContact OD1-NH2 3.13Å; D1055-R1109 IonicContact OD2-CZ 3.91Å; D1055-R1109 IonicContact OD2-NE 3.79Å; D1055-R1109 IonicContact OD2-NH2 3.14Å; D1055-R1109 PolarHBondContact OD2-NH2 3.4Å |
| 1056 | C | 89 | Confident | 80.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 100.7 | 174.5 | -178 | 0 | 0 | 0 | 0 | 109.8 | P1025 A1026 Y1058 W1067 A1107 Y1108 C1125 | P1025-C1056 WeakPolarHBondContact CB-SG 3.44Å; A1026-C1056 CarbonylContact O-C 3.36Å; A1026-C1056 WeakPolarHBondContact O-CA 3.31Å; C1056-Y1058 PolarHBondContact O-N 3.48Å; C1056-Y1058 VanDerWaalsContact O-N 3.12Å; C1056-W1067 HydrophobicContact CB-CH2 4.19Å; C1056-W1067 HydrophobicContact CB-CZ2 3.53Å; C1056-A1107 CarbonylContact O-C 3.57Å; C1056-A1107 WeakPolarHBondContact O-CA 3.49Å; C1056-A1107 WeakPolarHBondContact O-CB 3.2Å; C1056-Y1108 WeakPolarHBondContact CB-O 3.33Å; C1056-Y1108 PolarHBondContact N-O 2.86Å; C1056-Y1108 VanDerWaalsContact N-O 3.16Å; C1056-Y1108 PolarHBondContact O-N 3.34Å; C1056-C1125 HydrophobicContact CB-CB 3.61Å; C1056-C1125 WeakPolarHBondContact CB-SG 3.17Å; C1056-C1125 WeakPolarHBondContact SG-CB 3.4Å; C1056-C1125 CovalentContact SG-SG 2.01Å; C1056-C1125 PolarHBondContact SG-SG 2.84Å |
| 1057 | L | 83 | Confident | 81.2 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 113.7 | 174.3 | -56.5 | -177.1 | 0 | 0 | 0 | 109 | L993 P1024 A1026 V1028 D1055 V1083 V1085 L1105 A1107 | L993-L1057 HydrophobicContact CD2-CD1 3.8Å; P1024-L1057 WeakPolarHBondContact CB-O 3.44Å; A1026-L1057 HydrophobicContact CB-CB 4.36Å; A1026-L1057 HydrophobicContact CB-CD1 4.36Å; A1026-L1057 PolarHBondContact N-O 2.99Å; A1026-L1057 PolarHBondContact O-N 3.39Å; V1028-L1057 HydrophobicContact CG2-CD1 3.78Å; V1028-L1057 HydrophobicContact CG2-CD2 4.27Å; V1028-L1057 HydrophobicContact CG2-CG 3.96Å; D1055-L1057 PolarHBondContact O-N 2.94Å; L1057-V1083 HydrophobicContact CD2-CB 4.36Å; L1057-V1083 HydrophobicContact CD2-CG1 4.48Å; L1057-V1085 HydrophobicContact CD1-CG2 4.05Å; L1057-V1085 HydrophobicContact CD2-CG2 3.96Å; L1057-L1105 HydrophobicContact CD1-CD1 4.26Å; L1057-L1105 HydrophobicContact CD2-CB 4.43Å; L1057-A1107 HydrophobicContact CD2-CB 4.01Å |
| 1058 | Y | 81.6 | Confident | 82.3 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | trans | -155.7 | 135.2 | 177.4 | -160.4 | -96.2 | 0 | 0 | 0 | 109.9 | P1024 P1025 C1056 M1060 K1062 G1063 P1065 W1080 S1106 D1127 S1128 | P1024-Y1058 HydrophobicContact CB-CD2 3.92Å; P1024-Y1058 HydrophobicContact CB-CE2 4.47Å; P1024-Y1058 HydrophobicContact CG-CD2 4.3Å; P1025-Y1058 HydrophobicContact CB-CD2 4.18Å; C1056-Y1058 PolarHBondContact O-N 3.48Å; C1056-Y1058 VanDerWaalsContact O-N 3.12Å; Y1058-M1060 PolarHBondContact O-N 3.06Å; Y1058-K1062 HydrophobicContact CE1-CB 3.59Å; Y1058-K1062 PolarHBondContact OH-O 2.76Å; Y1058-G1063 WeakPolarHBondContact CD1-O 3.41Å; Y1058-G1063 WeakPolarHBondContact CE1-O 3.42Å; Y1058-P1065 HydrophobicContact CD1-CG 4.27Å; Y1058-P1065 HydrophobicContact CG-CB 4.22Å; Y1058-P1065 HydrophobicContact CG-CG 4.05Å; Y1058-W1080 HydrophobicContact CD1-CH2 4.34Å; Y1058-W1080 WeakPolarHBondContact O-CZ3 3.4Å; Y1058-S1106 PolarHBondContact N-O 2.83Å; Y1058-S1106 CarbonylContact O-C 3.54Å; Y1058-S1106 WeakPolarHBondContact O-CB 3.47Å; Y1058-S1106 VanDerWaalsContact O-O 3.04Å; Y1058-D1127 HydrophobicContact CD2-CB 3.91Å; Y1058-D1127 HydrophobicContact CE2-CB 3.25Å; Y1058-S1128 PolarHBondContact OH-OG 2.9Å | ||
| 1059 | P | 75.2 | Confident | 83.2 | Confident | 32 Ų | 32 | 40.9 Ų | 40.9 | 21% | 0.208 | 22% | 0.218 | C | C | . | . | trans | -69.2 | 128.3 | -179.1 | -16.8 | 32.6 | 0 | 0 | 0 | 110.9 | P1024 D1061 K1062 | P1024-P1059 HydrophobicContact CG-CG 4.18Å; P1059-D1061 WeakPolarHBondContact CB-OD1 3.27Å; P1059-D1061 PolarHBondContact O-N 2.67Å; P1059-K1062 HydrophobicContact CB-CD 4.37Å; P1059-K1062 HydrophobicContact CB-CG 4.25Å; P1059-K1062 HydrophobicContact CG-CD 4.19Å; P1059-K1062 PolarHBondContact O-N 2.84Å | ||
| 1060 | M | 79 | Confident | 83.7 | Confident | 88 Ų | 88 | 41.4 Ų | 41.4 | 43% | 0.433 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -59.3 | -28.6 | -179.6 | -86.1 | -175.4 | -78.8 | 0 | 0 | 112.9 | Y1058 K1062 W1080 S1106 | Y1058-M1060 PolarHBondContact O-N 3.06Å; M1060-K1062 VanDerWaalsContact C-N 3.25Å; M1060-K1062 PolarHBondContact O-N 2.77Å; M1060-W1080 HydrophobicContact CB-CH2 4.4Å; M1060-W1080 HydrophobicContact CB-CZ2 4.46Å; M1060-W1080 HydrophobicContact CG-CD2 3.49Å; M1060-W1080 VanDerWaalsContact CG-CD2 3.49Å; M1060-W1080 HydrophobicContact CG-CE3 3.42Å; M1060-W1080 VanDerWaalsContact CG-CE3 3.42Å; M1060-W1080 HydrophobicContact CG-CG 4.12Å; M1060-W1080 HydrophobicContact CG-CH2 3.74Å; M1060-W1080 HydrophobicContact CG-CZ2 3.79Å; M1060-W1080 HydrophobicContact CG-CZ3 3.57Å; M1060-W1080 HydrophobicContact SD-CB 4.04Å; M1060-W1080 HydrophobicContact SD-CD2 3.94Å; M1060-W1080 HydrophobicContact SD-CE3 4.12Å; M1060-W1080 HydrophobicContact SD-CG 3.93Å; M1060-S1106 WeakPolarHBondContact CE-OG 3.24Å |
| 1061 | D | 76.7 | Confident | 83.7 | Confident | 122 Ų | 122 | 41.7 Ų | 41.7 | 65% | 0.652 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -66.5 | -16.5 | 174.9 | 53.5 | -67.3 | 0 | 0 | 0 | 114.5 | P1059 | P1059-D1061 WeakPolarHBondContact CB-OD1 3.27Å; P1059-D1061 PolarHBondContact O-N 2.67Å |
| 1062 | K | 70.8 | Confident | 82.6 | Confident | 125 Ų | 125 | 47.4 Ų | 47.4 | 54% | 0.543 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -104 | 12.6 | -176.9 | -60 | -173.4 | -174.3 | -178.7 | 0 | 113.5 | Y1058 P1059 M1060 S1128 | Y1058-K1062 HydrophobicContact CE1-CB 3.59Å; Y1058-K1062 PolarHBondContact OH-O 2.76Å; P1059-K1062 HydrophobicContact CB-CD 4.37Å; P1059-K1062 HydrophobicContact CB-CG 4.25Å; P1059-K1062 HydrophobicContact CG-CD 4.19Å; P1059-K1062 PolarHBondContact O-N 2.84Å; M1060-K1062 VanDerWaalsContact C-N 3.25Å; M1060-K1062 PolarHBondContact O-N 2.77Å; K1062-S1128 PolarHBondContact O-OG 2.82Å; K1062-S1128 VanDerWaalsContact O-OG 3.1Å |
| 1063 | G | 75 | Confident | 81.7 | Confident | 33 Ų | 33 | 52 Ų | 52 | 34% | 0.34 | 28% | 0.279 | S | S | . | . | trans | 93.8 | -179.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1058 | Y1058-G1063 WeakPolarHBondContact CD1-O 3.41Å; Y1058-G1063 WeakPolarHBondContact CE1-O 3.42Å | ||
| 1064 | Q | 83.1 | Confident | 81.2 | Confident | 121 Ų | 121 | 55 Ų | 55 | 57% | 0.565 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -93.3 | 120.7 | -176.3 | -174.5 | 173.5 | -10.9 | 0 | 0 | 110.9 | W1080 Y1108 | Q1064-W1080 HydrophobicContact CB-CZ2 4.3Å; Q1064-W1080 HydrophobicContact CG-CZ2 4.45Å; Q1064-Y1108 HydrophobicContact CG-CD2 4.41Å; Q1064-Y1108 HydrophobicContact CG-CE1 4.46Å; Q1064-Y1108 HydrophobicContact CG-CE2 4.12Å; Q1064-Y1108 VanDerWaalsContact NE2-CZ 3.28Å; Q1064-Y1108 PolarHBondContact NE2-OH 2.69Å |
| 1065 | P | 86.2 | Confident | 80.5 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 148.6 | 173.8 | 34.6 | -37.1 | 0 | 0 | 0 | 110.6 | Y1058 W1080 Y1108 V1126 | Y1058-P1065 HydrophobicContact CD1-CG 4.27Å; Y1058-P1065 HydrophobicContact CG-CB 4.22Å; Y1058-P1065 HydrophobicContact CG-CG 4.05Å; P1065-W1080 HydrophobicContact CG-CH2 4.46Å; P1065-Y1108 HydrophobicContact CG-CD1 4.07Å; P1065-Y1108 HydrophobicContact CG-CG 4.1Å; P1065-Y1108 WeakPolarHBondContact O-CD1 3.44Å; P1065-Y1108 VanDerWaalsContact O-CE1 3.27Å; P1065-Y1108 WeakPolarHBondContact O-CE1 3.44Å; P1065-V1126 CarbonylContact C-O 3.49Å; P1065-V1126 VanDerWaalsContact CA-O 3.25Å; P1065-V1126 WeakPolarHBondContact CA-O 3.33Å; P1065-V1126 VanDerWaalsContact CB-O 3.3Å; P1065-V1126 WeakPolarHBondContact CB-O 3.42Å |
| 1066 | A | 88.2 | Confident | 80.4 | Confident | 43 Ų | 43 | 63.5 Ų | 63.5 | 36% | 0.355 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 138.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1126 | A1066-V1126 PolarHBondContact N-O 3.49Å; A1066-V1126 PolarHBondContact O-N 3.35Å |
| 1067 | W | 90.8 | Very high | 80.3 | Confident | 13 Ų | 13 | 66.7 Ų | 66.7 | 5% | 0.049 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129.3 | 164 | -78.1 | 101.1 | 0 | 0 | 0 | 110.4 | I1027 L1054 C1056 Q1078 Y1108 L1110 F1123 Y1124 C1125 | I1027-W1067 HydrophobicContact CD1-CH2 3.89Å; I1027-W1067 HydrophobicContact CD1-CZ3 3.78Å; I1027-W1067 HydrophobicContact CG1-CH2 3.88Å; I1027-W1067 HydrophobicContact CG1-CZ3 4.28Å; I1027-W1067 HydrophobicContact CG2-CH2 3.99Å; L1054-W1067 HydrophobicContact CB-CH2 3.56Å; L1054-W1067 HydrophobicContact CB-CZ2 3.98Å; L1054-W1067 HydrophobicContact CB-CZ3 4.28Å; L1054-W1067 HydrophobicContact CD1-CH2 4.35Å; L1054-W1067 HydrophobicContact CD1-CZ3 4.28Å; L1054-W1067 WeakPolarHBondContact O-CZ2 3.29Å; C1056-W1067 HydrophobicContact CB-CH2 4.19Å; C1056-W1067 HydrophobicContact CB-CZ2 3.53Å; W1067-Q1078 HydrophobicContact CG-CG 4.5Å; W1067-Y1108 AromaticContact CD1-CD1 3.48Å; W1067-Y1108 VanDerWaalsContact CD1-CD1 3.48Å; W1067-Y1108 AromaticContact CD1-CE1 3.63Å; W1067-Y1108 AromaticContact NE1-CD1 3.65Å; W1067-Y1108 PolarHBondContact NE1-O 2.82Å; W1067-L1110 HydrophobicContact CB-CD1 3.8Å; W1067-L1110 HydrophobicContact CD2-CB 3.84Å; W1067-L1110 HydrophobicContact CD2-CD1 3.8Å; W1067-L1110 HydrophobicContact CD2-CG 4.47Å; W1067-L1110 HydrophobicContact CE3-CB 4.48Å; W1067-L1110 HydrophobicContact CE3-CD1 4.08Å; W1067-L1110 HydrophobicContact CG-CB 4.03Å; W1067-L1110 HydrophobicContact CG-CD1 3.69Å; W1067-L1110 HydrophobicContact CZ2-CB 4.06Å; W1067-F1123 HydrophobicContact CE3-CB 4.48Å; W1067-F1123 HydrophobicContact CZ3-CB 4.12Å; W1067-Y1124 WeakPolarHBondContact CA-O 3.31Å; W1067-Y1124 VanDerWaalsContact CE3-O 3.24Å; W1067-C1125 HydrophobicContact CD2-CB 4.48Å; W1067-C1125 HydrophobicContact CE3-CB 4.28Å; W1067-C1125 HydrophobicContact CH2-CB 4.18Å; W1067-C1125 HydrophobicContact CZ2-CB 4.4Å; W1067-C1125 HydrophobicContact CZ3-CB 4.11Å |
| 1068 | H | 89.1 | Confident | 80.6 | Confident | 107 Ų | 107 | 69.3 Ų | 69.3 | 50% | 0.495 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 150.7 | 165.6 | -58.5 | -27.3 | 0 | 0 | 0 | 108.8 | Y1124 | H1068-Y1124 HydrophobicContact CB-CD2 4.37Å; H1068-Y1124 PolarHBondContact N-O 3.32Å; H1068-Y1124 PolarHBondContact O-N 2.76Å; H1068-Y1124 VanDerWaalsContact O-O 3.13Å |
| 1069 | Y | 89.8 | Confident | 81 | Confident | 63 Ų | 63 | 72.7 Ų | 72.7 | 25% | 0.247 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 150.3 | -177.4 | 40.7 | -93.3 | 0 | 0 | 0 | 111.4 | S1071 Y1076 L1110 T1122 F1123 | Y1069-S1071 WeakPolarHBondContact CD2-O 3.31Å; Y1069-Y1076 HydrophobicContact CD1-CD2 4.11Å; Y1069-Y1076 HydrophobicContact CD1-CE2 4.5Å; Y1069-Y1076 AromaticContact CD2-CD2 3.98Å; Y1069-Y1076 HydrophobicContact CD2-CD2 3.98Å; Y1069-Y1076 AromaticContact CD2-CE2 3.65Å; Y1069-Y1076 HydrophobicContact CD2-CE2 3.65Å; Y1069-Y1076 AromaticContact CE1-CD2 3.91Å; Y1069-Y1076 HydrophobicContact CE1-CD2 3.91Å; Y1069-Y1076 AromaticContact CE2-CD2 3.74Å; Y1069-Y1076 HydrophobicContact CE2-CD2 3.74Å; Y1069-Y1076 AromaticContact CE2-CE2 3.65Å; Y1069-Y1076 HydrophobicContact CE2-CE2 3.65Å; Y1069-Y1076 HydrophobicContact CG-CD2 4.16Å; Y1069-Y1076 HydrophobicContact CG-CE2 4.08Å; Y1069-Y1076 AromaticContact CZ-CD2 3.71Å; Y1069-L1110 HydrophobicContact CD1-CD1 4.02Å; Y1069-L1110 HydrophobicContact CE1-CD1 4.14Å; Y1069-T1122 CarbonylContact C-O 3.45Å; Y1069-T1122 VanDerWaalsContact CA-O 3.27Å; Y1069-T1122 WeakPolarHBondContact CA-O 3.38Å; Y1069-F1123 HydrophobicContact CD1-CD1 4.43Å; Y1069-F1123 HydrophobicContact CG-CD1 4.29Å; Y1069-F1123 HydrophobicContact CG-CE1 4.25Å |
| 1070 | T | 85.2 | Confident | 81.7 | Confident | 80 Ų | 80 | 74.8 Ų | 74.8 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -86.7 | -13 | -177.9 | 66.4 | 0 | 0 | 0 | 0 | 114.2 | S1072 G1121 T1122 Y1124 | T1070-S1072 PolarHBondContact O-N 3.24Å; T1070-G1121 WeakPolarHBondContact OG1-CA 3.38Å; T1070-T1122 PolarHBondContact N-O 3.35Å; T1070-T1122 PolarHBondContact OG1-N 2.87Å; T1070-Y1124 HydrophobicContact CG2-CE2 3.99Å |
| 1071 | S | 74.6 | Confident | 82.1 | Confident | 7 Ų | 7 | 71.6 Ų | 71.6 | 5% | 0.049 | 37% | 0.367 | C | S | . | . | trans | -75.9 | 117.5 | 174.1 | 170.7 | 0 | 0 | 0 | 0 | 110 | Y1069 Y1073 Y1076 E1118 D1119 | Y1069-S1071 WeakPolarHBondContact CD2-O 3.31Å; S1071-Y1073 VanDerWaalsContact C-N 3.28Å; S1071-Y1073 PolarHBondContact OG-N 2.86Å; S1071-Y1076 PolarHBondContact OG-OH 3.08Å; S1071-Y1076 VanDerWaalsContact OG-OH 3.1Å; S1071-E1118 PolarHBondContact OG-O 3.44Å; S1071-D1119 WeakPolarHBondContact OG-CA 3.35Å | ||
| 1072 | S | 57.4 | Low | 82.3 | Confident | 126 Ų | 126 | 71.4 Ų | 71.4 | 88% | 0.881 | 37% | 0.366 | S | S | * | . | trans | -85.7 | 5.6 | 175.2 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | T1070 | T1070-S1072 PolarHBondContact O-N 3.24Š| ||
| 1073 | Y | 69.9 | Low | 82.3 | Confident | 98 Ų | 98 | 66.3 Ų | 66.3 | 38% | 0.384 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -68.5 | -41.3 | -168.2 | -178.3 | -118 | 0 | 0 | 0 | 113.8 | S1071 R1116 E1118 D1119 | S1071-Y1073 VanDerWaalsContact C-N 3.28Å; S1071-Y1073 PolarHBondContact OG-N 2.86Å; Y1073-R1116 PolarHBondContact OH-NH1 2.86Å; Y1073-E1118 HydrophobicContact CD1-CB 4.07Å; Y1073-E1118 HydrophobicContact CD2-CB 3.59Å; Y1073-E1118 HydrophobicContact CD2-CG 4.12Å; Y1073-E1118 HydrophobicContact CE2-CB 4.12Å; Y1073-E1118 HydrophobicContact CE2-CG 4.3Å; Y1073-E1118 HydrophobicContact CG-CB 3.57Å; Y1073-D1119 WeakPolarHBondContact CD1-OD1 3.36Å |
| 1074 | R | 80 | Confident | 82 | Confident | 78 Ų | 78 | 68.7 Ų | 68.7 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | trans | -162.7 | 163.3 | 179.2 | 57.1 | -173.2 | 163.1 | 159.6 | -4.2 | 111.2 | Y1076 Y1113 M1114 D1119 | R1074-Y1076 HydrophobicContact CG-CD1 4.34Å; R1074-Y1076 HydrophobicContact CG-CE1 3.75Å; R1074-Y1076 WeakPolarHBondContact O-CE2 3.3Å; R1074-Y1113 VanDerWaalsContact CZ-O 3.27Å; R1074-Y1113 PolarHBondContact NH1-O 2.92Å; R1074-Y1113 PolarHBondContact NH2-O 3.03Å; R1074-M1114 PolarHBondContact NH2-O 3.11Å; R1074-D1119 IonicContact CZ-OD1 3.8Å; R1074-D1119 VanDerWaalsContact CZ-OD1 3.29Å; R1074-D1119 IonicContact CZ-OD2 2.72Å; R1074-D1119 IonicContact NE-OD1 3.97Å; R1074-D1119 PolarHBondContact NE-OD1 2.91Å; R1074-D1119 IonicContact NE-OD2 2.78Å; R1074-D1119 IonicContact NH2-OD1 3.18Å; R1074-D1119 PolarHBondContact NH2-OD1 3.3Å; R1074-D1119 IonicContact NH2-OD2 2.82Å; R1074-D1119 PolarHBondContact NH2-OD2 3.39Å | ||
| 1075 | Q | 77.1 | Confident | 80.8 | Confident | 172 Ų | 172 | 63.6 Ų | 63.6 | 80% | 0.804 | 33% | 0.333 | S | S | * | . | trans | -78.6 | 143.9 | 166 | -66.8 | -177.1 | -6.3 | 0 | 0 | 110.4 | ||||
| 1076 | Y | 87.3 | Confident | 79.2 | Confident | 7 Ų | 7 | 67.2 Ų | 67.2 | 3% | 0.027 | 35% | 0.353 | C | S | . | . | trans | -105.9 | 130.6 | 179.6 | -54.3 | -72.7 | 0 | 0 | 0 | 110.7 | Y1069 S1071 R1074 Q1078 L1110 V1112 D1119 F1123 | Y1069-Y1076 HydrophobicContact CD1-CD2 4.11Å; Y1069-Y1076 HydrophobicContact CD1-CE2 4.5Å; Y1069-Y1076 AromaticContact CD2-CD2 3.98Å; Y1069-Y1076 HydrophobicContact CD2-CD2 3.98Å; Y1069-Y1076 AromaticContact CD2-CE2 3.65Å; Y1069-Y1076 HydrophobicContact CD2-CE2 3.65Å; Y1069-Y1076 AromaticContact CE1-CD2 3.91Å; Y1069-Y1076 HydrophobicContact CE1-CD2 3.91Å; Y1069-Y1076 AromaticContact CE2-CD2 3.74Å; Y1069-Y1076 HydrophobicContact CE2-CD2 3.74Å; Y1069-Y1076 AromaticContact CE2-CE2 3.65Å; Y1069-Y1076 HydrophobicContact CE2-CE2 3.65Å; Y1069-Y1076 HydrophobicContact CG-CD2 4.16Å; Y1069-Y1076 HydrophobicContact CG-CE2 4.08Å; Y1069-Y1076 AromaticContact CZ-CD2 3.71Å; S1071-Y1076 PolarHBondContact OG-OH 3.08Å; S1071-Y1076 VanDerWaalsContact OG-OH 3.1Å; R1074-Y1076 HydrophobicContact CG-CD1 4.34Å; R1074-Y1076 HydrophobicContact CG-CE1 3.75Å; R1074-Y1076 WeakPolarHBondContact O-CE2 3.3Å; Y1076-Q1078 PolarHBondContact O-NE2 2.89Å; Y1076-L1110 HydrophobicContact CD2-CD1 4.24Å; Y1076-L1110 HydrophobicContact CD2-CD2 4.36Å; Y1076-L1110 HydrophobicContact CG-CD1 4.39Å; Y1076-L1110 HydrophobicContact CG-CD2 4Å; Y1076-L1110 HydrophobicContact CG-CG 4.33Å; Y1076-V1112 HydrophobicContact CD1-CB 4.28Å; Y1076-V1112 HydrophobicContact CD1-CG1 4.35Å; Y1076-V1112 HydrophobicContact CD1-CG2 3.81Å; Y1076-V1112 HydrophobicContact CE1-CB 4.35Å; Y1076-V1112 HydrophobicContact CE1-CG1 3.96Å; Y1076-V1112 HydrophobicContact CE1-CG2 3.92Å; Y1076-V1112 HydrophobicContact CG-CG2 4.36Å; Y1076-D1119 HydrophobicContact CE1-CB 4.44Å; Y1076-D1119 WeakPolarHBondContact CE1-OD1 3.21Å; Y1076-D1119 PolarHBondContact OH-OD1 3.43Å; Y1076-D1119 VanDerWaalsContact OH-OD1 3.08Å; Y1076-F1123 AromaticContact CD2-CE1 3.88Å; Y1076-F1123 HydrophobicContact CD2-CE1 3.88Å; Y1076-F1123 AromaticContact CE2-CE1 3.73Å; Y1076-F1123 HydrophobicContact CE2-CE1 3.73Å; Y1076-F1123 HydrophobicContact CE2-CZ 4Å | ||
| 1077 | P | 85.4 | Confident | 77.4 | Confident | 66 Ų | 66 | 68.2 Ų | 68.2 | 43% | 0.429 | 35% | 0.351 | S | S | . | . | trans | -65.2 | 136.2 | 178.8 | 24.5 | -32.6 | 0 | 0 | 0 | 111.2 | T1111 Y1113 | P1077-T1111 WeakPolarHBondContact CD-O 3.45Å; P1077-T1111 PolarHBondContact O-N 3.47Å; P1077-T1111 VanDerWaalsContact O-N 3.1Å; P1077-Y1113 HydrophobicContact CG-CD2 3.96Å; P1077-Y1113 HydrophobicContact CG-CE2 3.63Å | ||
| 1078 | Q | 90 | Very high | 75 | Confident | 66 Ų | 66 | 70.5 Ų | 70.5 | 31% | 0.308 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142.8 | -174.2 | -68.3 | 152.5 | 63.8 | 0 | 0 | 111.2 | W1067 Y1076 Y1108 R1109 L1110 | W1067-Q1078 HydrophobicContact CG-CG 4.5Å; Y1076-Q1078 PolarHBondContact O-NE2 2.89Å; Q1078-Y1108 HydrophobicContact CB-CE1 3.95Å; Q1078-Y1108 HydrophobicContact CB-CE2 4.26Å; Q1078-Y1108 WeakPolarHBondContact CB-OH 3.48Å; Q1078-Y1108 HydrophobicContact CG-CE1 4.3Å; Q1078-Y1108 PolarHBondContact OE1-OH 3.07Å; Q1078-R1109 CarbonylContact C-O 3.44Å; Q1078-R1109 WeakPolarHBondContact CA-O 3.16Å; Q1078-L1110 HydrophobicContact CG-CB 4.12Å; Q1078-L1110 HydrophobicContact CG-CD1 4.37Å; Q1078-L1110 HydrophobicContact CG-CG 4.29Å |
| 1079 | H | 89.5 | Confident | 72.7 | Confident | 79 Ų | 79 | 68.4 Ų | 68.4 | 37% | 0.366 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 156.1 | 178.7 | 56.8 | -68.6 | 0 | 0 | 0 | 112.1 | V1081 R1109 | H1079-V1081 WeakPolarHBondContact CD2-CG1 3.45Å; H1079-V1081 WeakPolarHBondContact NE2-CG1 3.3Å; H1079-R1109 PolarHBondContact N-O 3.45Å; H1079-R1109 PolarHBondContact O-N 3.39Å |
| 1080 | W | 89.8 | Confident | 70.3 | Confident | 76 Ų | 76 | 68 Ų | 68 | 29% | 0.288 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 139.6 | 169.7 | -76 | 115.3 | 0 | 0 | 0 | 111.9 | Y1058 M1060 Q1064 P1065 Y1108 | Y1058-W1080 HydrophobicContact CD1-CH2 4.34Å; Y1058-W1080 WeakPolarHBondContact O-CZ3 3.4Å; M1060-W1080 HydrophobicContact CB-CH2 4.4Å; M1060-W1080 HydrophobicContact CB-CZ2 4.46Å; M1060-W1080 HydrophobicContact CG-CD2 3.49Å; M1060-W1080 VanDerWaalsContact CG-CD2 3.49Å; M1060-W1080 HydrophobicContact CG-CE3 3.42Å; M1060-W1080 VanDerWaalsContact CG-CE3 3.42Å; M1060-W1080 HydrophobicContact CG-CG 4.12Å; M1060-W1080 HydrophobicContact CG-CH2 3.74Å; M1060-W1080 HydrophobicContact CG-CZ2 3.79Å; M1060-W1080 HydrophobicContact CG-CZ3 3.57Å; M1060-W1080 HydrophobicContact SD-CB 4.04Å; M1060-W1080 HydrophobicContact SD-CD2 3.94Å; M1060-W1080 HydrophobicContact SD-CE3 4.12Å; M1060-W1080 HydrophobicContact SD-CG 3.93Å; Q1064-W1080 HydrophobicContact CB-CZ2 4.3Å; Q1064-W1080 HydrophobicContact CG-CZ2 4.45Å; P1065-W1080 HydrophobicContact CG-CH2 4.46Å; W1080-Y1108 AromaticContact CD2-CD2 3.93Å; W1080-Y1108 HydrophobicContact CD2-CD2 3.93Å; W1080-Y1108 HydrophobicContact CE3-CD2 4.37Å; W1080-Y1108 HydrophobicContact CG-CD2 4.14Å |
| 1081 | V | 87.5 | Confident | 68.2 | Low | 20 Ų | 20 | 72.9 Ų | 72.9 | 12% | 0.121 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 154.9 | 178.5 | -63.5 | 0 | 0 | 0 | 0 | 110.8 | H1079 V1083 A1107 R1109 | H1079-V1081 WeakPolarHBondContact CD2-CG1 3.45Å; H1079-V1081 WeakPolarHBondContact NE2-CG1 3.3Å; V1081-V1083 HydrophobicContact CG2-CG2 3.91Å; V1081-A1107 HydrophobicContact CG2-CB 4.11Å; V1081-A1107 WeakPolarHBondContact CG2-O 3.39Å; V1081-A1107 PolarHBondContact N-O 2.9Å; V1081-A1107 PolarHBondContact O-N 3.5Å; V1081-R1109 HydrophobicContact CG1-CB 4.16Å; V1081-R1109 HydrophobicContact CG2-CB 3.68Å |
| 1082 | N | 81.2 | Confident | 66.4 | Low | 118 Ų | 118 | 78.6 Ų | 78.6 | 63% | 0.631 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 132.2 | 167.3 | -66.7 | -14.4 | 0 | 0 | 0 | 109.3 | ||
| 1083 | V | 72.1 | Confident | 65.1 | Low | 18 Ų | 18 | 76.4 Ų | 76.4 | 11% | 0.109 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 119.5 | -178.7 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | D1055 L1057 V1081 V1085 L1105 A1107 | D1055-V1083 HydrophobicContact CB-CG2 4.19Å; L1057-V1083 HydrophobicContact CD2-CB 4.36Å; L1057-V1083 HydrophobicContact CD2-CG1 4.48Å; V1081-V1083 HydrophobicContact CG2-CG2 3.91Å; V1083-V1085 HydrophobicContact CG1-CG2 4.15Å; V1083-V1085 PolarHBondContact O-N 3.42Å; V1083-L1105 PolarHBondContact N-O 3.25Å; V1083-L1105 PolarHBondContact O-N 2.91Å; V1083-A1107 HydrophobicContact CB-CB 4.44Å; V1083-A1107 HydrophobicContact CG2-CB 3.65Å |
| 1084 | S | 67.4 | Low | 63.3 | Low | 83 Ų | 83 | 81.7 Ų | 81.7 | 58% | 0.58 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 109.5 | 170.3 | 55.5 | 0 | 0 | 0 | 0 | 109.5 | ||
| 1085 | V | 58.7 | Low | 61 | Low | 14 Ų | 14 | 82.6 Ų | 82.6 | 9% | 0.085 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 129 | 175.3 | -178 | 0 | 0 | 0 | 0 | 109 | L1057 V1083 M1087 I1103 L1105 | L1057-V1085 HydrophobicContact CD1-CG2 4.05Å; L1057-V1085 HydrophobicContact CD2-CG2 3.96Å; V1083-V1085 HydrophobicContact CG1-CG2 4.15Å; V1083-V1085 PolarHBondContact O-N 3.42Å; V1085-M1087 HydrophobicContact CG1-SD 4Å; V1085-M1087 PolarHBondContact O-N 3.45Å; V1085-I1103 PolarHBondContact N-O 2.83Å; V1085-I1103 PolarHBondContact O-N 3.07Å; V1085-L1105 HydrophobicContact CB-CD1 4.21Å; V1085-L1105 HydrophobicContact CG2-CD1 3.98Å; V1085-L1105 HydrophobicContact CG2-CG 4.48Å |
| 1086 | D | 51.7 | Low | 58.6 | Low | 77 Ų | 77 | 79.5 Ų | 79.5 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | trans | -80.4 | 100.7 | 179.2 | -176.4 | 6.7 | 0 | 0 | 0 | 110.1 | D1088 | D1086-D1088 PolarHBondContact OD1-N 2.05Š| ||
| 1087 | M | 50.3 | Low | 55.9 | Low | 65 Ų | 65 | 87.8 Ų | 87.8 | 32% | 0.32 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -85.1 | -3.2 | -175.9 | -63.9 | -61.9 | -65 | 0 | 0 | 113.9 | V1085 R1089 F1090 I1103 | V1085-M1087 HydrophobicContact CG1-SD 4Å; V1085-M1087 PolarHBondContact O-N 3.45Å; M1087-R1089 PolarHBondContact O-N 3.34Å; M1087-F1090 HydrophobicContact CB-CD2 4.36Å; M1087-F1090 HydrophobicContact CE-CB 4.21Å; M1087-F1090 HydrophobicContact CE-CD1 3.91Å; M1087-F1090 HydrophobicContact CE-CD2 3.51Å; M1087-F1090 HydrophobicContact CE-CE1 4.09Å; M1087-F1090 HydrophobicContact CE-CE2 3.71Å; M1087-F1090 HydrophobicContact CE-CG 3.61Å; M1087-F1090 HydrophobicContact CE-CZ 3.99Å; M1087-F1090 PolarHBondContact O-N 3Å; M1087-F1090 HydrophobicContact SD-CD2 3.74Å; M1087-F1090 HydrophobicContact SD-CE2 3.51Å; M1087-F1090 VanDerWaalsContact SD-CE2 3.51Å; M1087-F1090 HydrophobicContact SD-CG 4.45Å; M1087-F1090 HydrophobicContact SD-CZ 4.05Å; M1087-I1103 HydrophobicContact CG-CB 4.22Å; M1087-I1103 HydrophobicContact CG-CD1 3.88Å; M1087-I1103 HydrophobicContact CG-CG1 3.89Å |
| 1088 | D | 41.6 | Very low | 53.4 | Low | 60 Ų | 60 | 93 Ų | 93 | 32% | 0.321 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -62 | -11.1 | 177.4 | -98.3 | -27.4 | 0 | 0 | 0 | 112.9 | D1086 R1091 | D1086-D1088 PolarHBondContact OD1-N 2.05Å; D1088-R1091 IonicContact OD1-NH1 2.84Å; D1088-R1091 PolarHBondContact OD1-NH1 3.01Å |
| 1089 | R | 39.7 | Very low | 50.7 | Low | 63 Ų | 63 | 95.6 Ų | 95.6 | 24% | 0.238 | 51% | 0.51 | C | S | . | . | G | 310 helix | trans | -87.8 | 1.3 | 174.3 | -57.5 | -167.8 | -171.6 | -163.9 | 10.7 | 115.3 | Q821 H960 H990 M1087 | Q821-R1089 VanDerWaalsContact OE1-CZ 3.24Å; H960-R1089 PolarHBondContact CE1-O 3.47Å; H960-R1089 PolarHBondContact NE2-O 2.9Å; H990-R1089 PolarHBondContact CE1-NH1 3.45Å; H990-R1089 WeakPolarHBondContact NE2-CD 3.49Å; H990-R1089 PolarHBondContact NE2-NE 2.69Å; H990-R1089 PolarHBondContact NE2-NH1 3.25Å; M1087-R1089 PolarHBondContact O-N 3.34Å |
| 1090 | F | 41.1 | Very low | 48.2 | Very low | 54 Ų | 54 | 94.3 Ų | 94.3 | 24% | 0.237 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -103.2 | 17.7 | -179.9 | -68.7 | -104.7 | 0 | 0 | 0 | 112.3 | L993 F994 P1020 M1087 | L993-F1090 HydrophobicContact CB-CZ 4.19Å; L993-F1090 HydrophobicContact CD1-CZ 4.25Å; L993-F1090 HydrophobicContact CD2-CZ 4.37Å; F994-F1090 HydrophobicContact CE1-CD1 4.15Å; F994-F1090 HydrophobicContact CE1-CE1 4.19Å; F994-F1090 AromaticContact CE2-CE1 3.97Å; F994-F1090 HydrophobicContact CE2-CE1 3.97Å; F994-F1090 HydrophobicContact CE2-CE2 4.45Å; F994-F1090 AromaticContact CE2-CZ 3.92Å; F994-F1090 HydrophobicContact CE2-CZ 3.92Å; F994-F1090 AromaticContact CZ-CD1 3.78Å; F994-F1090 HydrophobicContact CZ-CD1 3.78Å; F994-F1090 HydrophobicContact CZ-CD2 4.42Å; F994-F1090 AromaticContact CZ-CE1 3.62Å; F994-F1090 HydrophobicContact CZ-CE1 3.62Å; F994-F1090 HydrophobicContact CZ-CE2 4.3Å; F994-F1090 HydrophobicContact CZ-CG 4.19Å; F994-F1090 AromaticContact CZ-CZ 3.91Å; F994-F1090 HydrophobicContact CZ-CZ 3.91Å; P1020-F1090 HydrophobicContact CB-CD1 4.03Å; P1020-F1090 HydrophobicContact CB-CE1 4.13Å; P1020-F1090 HydrophobicContact CG-CD1 4.04Å; M1087-F1090 HydrophobicContact CB-CD2 4.36Å; M1087-F1090 HydrophobicContact CE-CB 4.21Å; M1087-F1090 HydrophobicContact CE-CD1 3.91Å; M1087-F1090 HydrophobicContact CE-CD2 3.51Å; M1087-F1090 HydrophobicContact CE-CE1 4.09Å; M1087-F1090 HydrophobicContact CE-CE2 3.71Å; M1087-F1090 HydrophobicContact CE-CG 3.61Å; M1087-F1090 HydrophobicContact CE-CZ 3.99Å; M1087-F1090 PolarHBondContact O-N 3Å; M1087-F1090 HydrophobicContact SD-CD2 3.74Å; M1087-F1090 HydrophobicContact SD-CE2 3.51Å; M1087-F1090 VanDerWaalsContact SD-CE2 3.51Å; M1087-F1090 HydrophobicContact SD-CG 4.45Å; M1087-F1090 HydrophobicContact SD-CZ 4.05Å |
| 1091 | R | 41.2 | Very low | 45.9 | Very low | 184 Ų | 184 | 96 Ų | 96 | 69% | 0.694 | 53% | 0.532 | S | S | * | . | trans | -87.2 | -10.3 | -159 | -158.7 | 163.7 | 179 | 160.3 | -4.4 | 115.1 | D1088 S1093 | D1088-R1091 IonicContact OD1-NH1 2.84Å; D1088-R1091 PolarHBondContact OD1-NH1 3.01Å; R1091-S1093 VanDerWaalsContact C-N 3.3Å; R1091-S1093 PolarHBondContact O-N 2.83Å; R1091-S1093 VanDerWaalsContact O-N 3.13Å | ||
| 1092 | D | 34.9 | Very low | 44.1 | Very low | 127 Ų | 127 | 98.6 Ų | 98.6 | 68% | 0.679 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -91.2 | 39.1 | -166.6 | -64 | -5.9 | 0 | 0 | 0 | 113.7 | H960 | H960-D1092 IonicContact NE2-OD2 3.47Š|
| 1093 | S | 30.3 | Very low | 43 | Very low | 80 Ų | 80 | 97.1 Ų | 97.1 | 56% | 0.559 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -158.9 | 100 | 166.2 | 65.7 | 0 | 0 | 0 | 0 | 114.5 | R1091 A1095 | R1091-S1093 VanDerWaalsContact C-N 3.3Å; R1091-S1093 PolarHBondContact O-N 2.83Å; R1091-S1093 VanDerWaalsContact O-N 3.13Å; S1093-A1095 VanDerWaalsContact C-N 3.26Å; S1093-A1095 PolarHBondContact O-N 2.83Å |
| 1094 | H | 33.2 | Very low | 42.7 | Very low | 209 Ų | 209 | 101.2 Ų | 101.2 | 97% | 0.968 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 51.1 | 0.8 | 148 | -92 | -93.8 | 0 | 0 | 0 | 122.4 | ||
| 1095 | A | 30.5 | Very low | 42.9 | Very low | 97 Ų | 97 | 100.2 Ų | 100.2 | 80% | 0.802 | 55% | 0.554 | S | S | * | * | trans | -97.8 | 119.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | S1093 | S1093-A1095 VanDerWaalsContact C-N 3.26Å; S1093-A1095 PolarHBondContact O-N 2.83Å | ||
| 1096 | S | 28.4 | Very low | 43.9 | Very low | 106 Ų | 106 | 100.9 Ų | 100.9 | 74% | 0.741 | 56% | 0.559 | S | S | * | * | trans | -90 | 167.2 | 174.7 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1097 | M | 28.8 | Very low | 45.5 | Very low | 182 Ų | 182 | 97.2 Ų | 97.2 | 90% | 0.897 | 54% | 0.539 | S | S | * | . | trans | 58.9 | 87.7 | 169.9 | -63.5 | -176.1 | 167.6 | 0 | 0 | 117.4 | ||||
| 1098 | L | 33.2 | Very low | 47.5 | Very low | 176 Ų | 176 | 95.2 Ų | 95.2 | 92% | 0.921 | 53% | 0.528 | S | S | * | . | trans | -166.3 | 158.6 | 134.9 | -103.6 | 165.7 | 0 | 0 | 0 | 109.4 | ||||
| 1099 | T | 34.2 | Very low | 50 | Low | 120 Ų | 120 | 93.2 Ų | 93.2 | 74% | 0.736 | 52% | 0.516 | S | S | * | . | trans | -88.4 | 141.3 | -165.2 | 46.9 | 0 | 0 | 0 | 0 | 114.4 | N1101 | T1099-N1101 PolarHBondContact O-N 3.26Š| ||
| 1100 | G | 36.8 | Very low | 52.5 | Low | 51 Ų | 51 | 90.2 Ų | 90.2 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | trans | -74.3 | 77 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1101 | N | 42.1 | Very low | 54.9 | Low | 111 Ų | 111 | 87.7 Ų | 87.7 | 59% | 0.594 | 49% | 0.494 | S | S | * | . | trans | -120.1 | 146.8 | 166.7 | -75 | -39.8 | 0 | 0 | 0 | 110.4 | T1099 I1103 | T1099-N1101 PolarHBondContact O-N 3.26Å; N1101-I1103 PolarHBondContact O-N 2.78Å | ||
| 1102 | P | 49.9 | Very low | 57.2 | Low | 76 Ų | 76 | 79 Ų | 79 | 49% | 0.494 | 46% | 0.462 | S | S | . | . | trans | -66.3 | 127.7 | 177.8 | 28.1 | -34.4 | 0 | 0 | 0 | 110.5 | T1104 | P1102-T1104 PolarHBondContact O-N 3.17Š| ||
| 1103 | I | 58.2 | Low | 59.7 | Low | 86 Ų | 86 | 78.5 Ų | 78.5 | 44% | 0.441 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 122.6 | -176.4 | -54.7 | -172.5 | 0 | 0 | 0 | 109.1 | V1085 M1087 N1101 L1105 | V1085-I1103 PolarHBondContact N-O 2.83Å; V1085-I1103 PolarHBondContact O-N 3.07Å; M1087-I1103 HydrophobicContact CG-CB 4.22Å; M1087-I1103 HydrophobicContact CG-CD1 3.88Å; M1087-I1103 HydrophobicContact CG-CG1 3.89Å; N1101-I1103 PolarHBondContact O-N 2.78Å; I1103-L1105 HydrophobicContact CG2-CD2 3.75Å; I1103-L1105 HydrophobicContact CG2-CG 4.11Å; I1103-L1105 PolarHBondContact O-N 2.87Å |
| 1104 | T | 65.3 | Low | 62.1 | Low | 104 Ų | 104 | 80 Ų | 80 | 64% | 0.638 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 104.3 | 170.3 | 50.1 | 0 | 0 | 0 | 0 | 109.8 | P1102 | P1102-T1104 PolarHBondContact O-N 3.17Å |
| 1105 | L | 70.6 | Confident | 64.3 | Low | 63 Ų | 63 | 70.1 Ų | 70.1 | 33% | 0.33 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 148.6 | 175.8 | -64.4 | 177.9 | 0 | 0 | 0 | 110.8 | L1057 V1083 V1085 I1103 | L1057-L1105 HydrophobicContact CD1-CD1 4.26Å; L1057-L1105 HydrophobicContact CD2-CB 4.43Å; V1083-L1105 PolarHBondContact N-O 3.25Å; V1083-L1105 PolarHBondContact O-N 2.91Å; V1085-L1105 HydrophobicContact CB-CD1 4.21Å; V1085-L1105 HydrophobicContact CG2-CD1 3.98Å; V1085-L1105 HydrophobicContact CG2-CG 4.48Å; I1103-L1105 HydrophobicContact CG2-CD2 3.75Å; I1103-L1105 HydrophobicContact CG2-CG 4.11Å; I1103-L1105 PolarHBondContact O-N 2.87Å |
| 1106 | S | 81.2 | Confident | 66.6 | Low | 27 Ų | 27 | 70.8 Ų | 70.8 | 19% | 0.189 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 140.2 | 167.4 | -63.3 | 0 | 0 | 0 | 0 | 110.3 | Y1058 M1060 | Y1058-S1106 PolarHBondContact N-O 2.83Å; Y1058-S1106 CarbonylContact O-C 3.54Å; Y1058-S1106 WeakPolarHBondContact O-CB 3.47Å; Y1058-S1106 VanDerWaalsContact O-O 3.04Å; M1060-S1106 WeakPolarHBondContact CE-OG 3.24Å |
| 1107 | A | 85.4 | Confident | 69.1 | Low | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 142.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1055 C1056 L1057 V1081 V1083 | D1055-A1107 HydrophobicContact CB-CB 4.16Å; C1056-A1107 CarbonylContact O-C 3.57Å; C1056-A1107 WeakPolarHBondContact O-CA 3.49Å; C1056-A1107 WeakPolarHBondContact O-CB 3.2Å; L1057-A1107 HydrophobicContact CD2-CB 4.01Å; V1081-A1107 HydrophobicContact CG2-CB 4.11Å; V1081-A1107 WeakPolarHBondContact CG2-O 3.39Å; V1081-A1107 PolarHBondContact N-O 2.9Å; V1081-A1107 PolarHBondContact O-N 3.5Å; V1083-A1107 HydrophobicContact CB-CB 4.44Å; V1083-A1107 HydrophobicContact CG2-CB 3.65Å |
| 1108 | Y | 91.5 | Very high | 71.6 | Confident | 23 Ų | 23 | 63.8 Ų | 63.8 | 9% | 0.09 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 101.2 | 173 | -169.1 | -119 | 0 | 0 | 0 | 108.9 | C1056 Q1064 P1065 W1067 Q1078 W1080 | C1056-Y1108 WeakPolarHBondContact CB-O 3.33Å; C1056-Y1108 PolarHBondContact N-O 2.86Å; C1056-Y1108 VanDerWaalsContact N-O 3.16Å; C1056-Y1108 PolarHBondContact O-N 3.34Å; Q1064-Y1108 HydrophobicContact CG-CD2 4.41Å; Q1064-Y1108 HydrophobicContact CG-CE1 4.46Å; Q1064-Y1108 HydrophobicContact CG-CE2 4.12Å; Q1064-Y1108 VanDerWaalsContact NE2-CZ 3.28Å; Q1064-Y1108 PolarHBondContact NE2-OH 2.69Å; P1065-Y1108 HydrophobicContact CG-CD1 4.07Å; P1065-Y1108 HydrophobicContact CG-CG 4.1Å; P1065-Y1108 WeakPolarHBondContact O-CD1 3.44Å; P1065-Y1108 VanDerWaalsContact O-CE1 3.27Å; P1065-Y1108 WeakPolarHBondContact O-CE1 3.44Å; W1067-Y1108 AromaticContact CD1-CD1 3.48Å; W1067-Y1108 VanDerWaalsContact CD1-CD1 3.48Å; W1067-Y1108 AromaticContact CD1-CE1 3.63Å; W1067-Y1108 AromaticContact NE1-CD1 3.65Å; W1067-Y1108 PolarHBondContact NE1-O 2.82Å; Q1078-Y1108 HydrophobicContact CB-CE1 3.95Å; Q1078-Y1108 HydrophobicContact CB-CE2 4.26Å; Q1078-Y1108 WeakPolarHBondContact CB-OH 3.48Å; Q1078-Y1108 HydrophobicContact CG-CE1 4.3Å; Q1078-Y1108 PolarHBondContact OE1-OH 3.07Å; W1080-Y1108 AromaticContact CD2-CD2 3.93Å; W1080-Y1108 HydrophobicContact CD2-CD2 3.93Å; W1080-Y1108 HydrophobicContact CE3-CD2 4.37Å; W1080-Y1108 HydrophobicContact CG-CD2 4.14Å |
| 1109 | R | 92.8 | Very high | 74.1 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 130.9 | -171.7 | 167.6 | 175.4 | -74.4 | 146.1 | 11.4 | 111.7 | Q1053 L1054 D1055 Q1078 H1079 V1081 | Q1053-R1109 HydrophobicContact CB-CG 4.39Å; Q1053-R1109 HydrophobicContact CG-CG 4.45Å; L1054-R1109 CarbonylContact O-C 3.6Å; L1054-R1109 WeakPolarHBondContact O-CA 3.45Å; D1055-R1109 VanDerWaalsContact CG-NH2 3.29Å; D1055-R1109 WeakPolarHBondContact OD1-CB 3.07Å; D1055-R1109 WeakPolarHBondContact OD1-CG 3.34Å; D1055-R1109 IonicContact OD1-CZ 4Å; D1055-R1109 VanDerWaalsContact OD1-CZ 3.3Å; D1055-R1109 IonicContact OD1-NE 2.88Å; D1055-R1109 PolarHBondContact OD1-NE 2.02Å; D1055-R1109 IonicContact OD1-NH2 3.87Å; D1055-R1109 PolarHBondContact OD1-NH2 3.38Å; D1055-R1109 VanDerWaalsContact OD1-NH2 3.13Å; D1055-R1109 IonicContact OD2-CZ 3.91Å; D1055-R1109 IonicContact OD2-NE 3.79Å; D1055-R1109 IonicContact OD2-NH2 3.14Å; D1055-R1109 PolarHBondContact OD2-NH2 3.4Å; Q1078-R1109 CarbonylContact C-O 3.44Å; Q1078-R1109 WeakPolarHBondContact CA-O 3.16Å; H1079-R1109 PolarHBondContact N-O 3.45Å; H1079-R1109 PolarHBondContact O-N 3.39Å; V1081-R1109 HydrophobicContact CG1-CB 4.16Å; V1081-R1109 HydrophobicContact CG2-CB 3.68Å |
| 1110 | L | 93.4 | Very high | 76.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 137.4 | 162.8 | 180 | 152 | 0 | 0 | 0 | 109.3 | Q1053 L1054 W1067 Y1069 Y1076 Q1078 V1112 F1123 | Q1053-L1110 WeakPolarHBondContact CA-O 3.26Å; L1054-L1110 HydrophobicContact CD1-CD2 4.49Å; L1054-L1110 PolarHBondContact N-O 2.81Å; L1054-L1110 PolarHBondContact O-N 3.26Å; W1067-L1110 HydrophobicContact CB-CD1 3.8Å; W1067-L1110 HydrophobicContact CD2-CB 3.84Å; W1067-L1110 HydrophobicContact CD2-CD1 3.8Å; W1067-L1110 HydrophobicContact CD2-CG 4.47Å; W1067-L1110 HydrophobicContact CE3-CB 4.48Å; W1067-L1110 HydrophobicContact CE3-CD1 4.08Å; W1067-L1110 HydrophobicContact CG-CB 4.03Å; W1067-L1110 HydrophobicContact CG-CD1 3.69Å; W1067-L1110 HydrophobicContact CZ2-CB 4.06Å; Y1069-L1110 HydrophobicContact CD1-CD1 4.02Å; Y1069-L1110 HydrophobicContact CE1-CD1 4.14Å; Y1076-L1110 HydrophobicContact CD2-CD1 4.24Å; Y1076-L1110 HydrophobicContact CD2-CD2 4.36Å; Y1076-L1110 HydrophobicContact CG-CD1 4.39Å; Y1076-L1110 HydrophobicContact CG-CD2 4Å; Y1076-L1110 HydrophobicContact CG-CG 4.33Å; Q1078-L1110 HydrophobicContact CG-CB 4.12Å; Q1078-L1110 HydrophobicContact CG-CD1 4.37Å; Q1078-L1110 HydrophobicContact CG-CG 4.29Å; L1110-V1112 HydrophobicContact CD2-CG2 3.77Å; L1110-F1123 HydrophobicContact CD1-CD1 4.14Å; L1110-F1123 HydrophobicContact CD1-CE1 4.36Å; L1110-F1123 HydrophobicContact CD2-CD1 4.02Å; L1110-F1123 HydrophobicContact CD2-CE1 3.84Å |
| 1111 | T | 91.4 | Very high | 78.9 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.1 | 178.3 | -51.7 | 0 | 0 | 0 | 0 | 112.6 | T1051 L1052 Q1053 P1077 Y1113 | T1051-T1111 HydrophobicContact CG2-CG2 3.93Å; L1052-T1111 WeakPolarHBondContact O-CA 3.38Å; Q1053-T1111 HydrophobicContact CG-CG2 3.79Å; P1077-T1111 WeakPolarHBondContact CD-O 3.45Å; P1077-T1111 PolarHBondContact O-N 3.47Å; P1077-T1111 VanDerWaalsContact O-N 3.1Å; T1111-Y1113 HydrophobicContact CG2-CD1 3.92Å; T1111-Y1113 HydrophobicContact CG2-CD2 3.95Å; T1111-Y1113 HydrophobicContact CG2-CE1 3.63Å; T1111-Y1113 HydrophobicContact CG2-CE2 3.68Å; T1111-Y1113 HydrophobicContact CG2-CG 4.07Å |
| 1112 | V | 89.3 | Confident | 81.1 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 98.6 | 171 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | T1051 L1052 Y1076 L1110 A1115 D1119 F1123 | T1051-V1112 WeakPolarHBondContact CA-O 3.14Å; L1052-V1112 HydrophobicContact CB-CB 4.29Å; L1052-V1112 PolarHBondContact N-O 3.44Å; L1052-V1112 PolarHBondContact O-N 2.85Å; Y1076-V1112 HydrophobicContact CD1-CB 4.28Å; Y1076-V1112 HydrophobicContact CD1-CG1 4.35Å; Y1076-V1112 HydrophobicContact CD1-CG2 3.81Å; Y1076-V1112 HydrophobicContact CE1-CB 4.35Å; Y1076-V1112 HydrophobicContact CE1-CG1 3.96Å; Y1076-V1112 HydrophobicContact CE1-CG2 3.92Å; Y1076-V1112 HydrophobicContact CG-CG2 4.36Å; L1110-V1112 HydrophobicContact CD2-CG2 3.77Å; V1112-A1115 HydrophobicContact CG1-CB 4.27Å; V1112-D1119 HydrophobicContact CG1-CB 3.92Å; V1112-F1123 HydrophobicContact CG2-CE1 4.12Å; V1112-F1123 HydrophobicContact CG2-CZ 4.06Å |
| 1113 | Y | 87.1 | Confident | 83.1 | Confident | 115 Ų | 115 | 42.3 Ų | 42.3 | 45% | 0.451 | 22% | 0.216 | S | C | . | . | trans | -80.6 | 130 | 178.9 | -71.5 | -70.2 | 0 | 0 | 0 | 112 | T1051 R1074 P1077 T1111 | T1051-Y1113 HydrophobicContact CG2-CD1 3.51Å; T1051-Y1113 HydrophobicContact CG2-CE1 3.86Å; T1051-Y1113 HydrophobicContact CG2-CG 4.42Å; R1074-Y1113 VanDerWaalsContact CZ-O 3.27Å; R1074-Y1113 PolarHBondContact NH1-O 2.92Å; R1074-Y1113 PolarHBondContact NH2-O 3.03Å; P1077-Y1113 HydrophobicContact CG-CD2 3.96Å; P1077-Y1113 HydrophobicContact CG-CE2 3.63Å; T1111-Y1113 HydrophobicContact CG2-CD1 3.92Å; T1111-Y1113 HydrophobicContact CG2-CD2 3.95Å; T1111-Y1113 HydrophobicContact CG2-CE1 3.63Å; T1111-Y1113 HydrophobicContact CG2-CE2 3.68Å; T1111-Y1113 HydrophobicContact CG2-CG 4.07Å | ||
| 1114 | M | 81.6 | Confident | 84.6 | Confident | 112 Ų | 112 | 41.4 Ų | 41.4 | 55% | 0.552 | 21% | 0.208 | S | C | * | . | S | Bend | trans | 51.4 | 61.7 | 178.5 | -56.7 | 175.6 | 73.4 | 0 | 0 | 112.7 | S1050 T1051 R1074 R1116 | S1050-M1114 PolarHBondContact O-N 2.84Å; T1051-M1114 PolarHBondContact OG1-N 3.02Å; R1074-M1114 PolarHBondContact NH2-O 3.11Å; M1114-R1116 VanDerWaalsContact O-CG 3.3Å; M1114-R1116 WeakPolarHBondContact O-CG 3.44Å; M1114-R1116 PolarHBondContact O-N 3.13Å |
| 1115 | A | 78.6 | Confident | 85.7 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | trans | -47.9 | 125 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1046 R1048 S1049 S1050 V1112 D1119 I1139 | V1046-A1115 HydrophobicContact CG1-CB 4.09Å; R1048-A1115 CarbonylContact C-O 3.5Å; R1048-A1115 WeakPolarHBondContact CA-O 3.37Å; S1049-A1115 PolarHBondContact N-O 3.18Å; S1050-A1115 WeakPolarHBondContact O-CB 3.32Å; S1050-A1115 PolarHBondContact O-N 3.05Å; V1112-A1115 HydrophobicContact CG1-CB 4.27Å; A1115-D1119 WeakPolarHBondContact CA-OD2 3.14Å; A1115-I1139 HydrophobicContact CB-CD1 3.76Å; A1115-I1139 HydrophobicContact CB-CG1 4.03Å; A1115-I1139 HydrophobicContact CB-CG2 4.29Å | ||
| 1116 | R | 79.8 | Confident | 86.5 | Confident | 111 Ų | 111 | 34.5 Ų | 34.5 | 42% | 0.419 | 17% | 0.168 | S | C | . | . | trans | -114.7 | 158.4 | 178.6 | -46.3 | -171.8 | 174.8 | -166.1 | -8.1 | 109.7 | Y1073 M1114 E1118 D1119 I1139 | Y1073-R1116 PolarHBondContact OH-NH1 2.86Å; M1114-R1116 VanDerWaalsContact O-CG 3.3Å; M1114-R1116 WeakPolarHBondContact O-CG 3.44Å; M1114-R1116 PolarHBondContact O-N 3.13Å; R1116-E1118 WeakPolarHBondContact CB-OE2 3.19Å; R1116-E1118 PolarHBondContact O-N 3.34Å; R1116-D1119 PolarHBondContact N-OD2 2.91Å; R1116-D1119 PolarHBondContact O-N 2.92Å; R1116-I1139 VanDerWaalsContact O-CD1 3.24Å; R1116-I1139 WeakPolarHBondContact O-CD1 3.25Å; R1116-I1139 WeakPolarHBondContact O-CG2 3.47Å | ||
| 1117 | P | 79.5 | Confident | 86.4 | Confident | 42 Ų | 42 | 33.7 Ų | 33.7 | 27% | 0.273 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -51 | -31.6 | 178.3 | -28.8 | 38 | 0 | 0 | 0 | 113.6 | D1119 S1120 V1141 | P1117-D1119 VanDerWaalsContact C-N 3.35Å; P1117-D1119 PolarHBondContact O-N 2.96Å; P1117-S1120 WeakPolarHBondContact O-CB 3.17Å; P1117-S1120 PolarHBondContact O-N 2.81Å; P1117-S1120 PolarHBondContact O-OG 2.91Å; P1117-V1141 HydrophobicContact CG-CG2 3.57Å |
| 1118 | E | 81.2 | Confident | 86 | Confident | 100 Ų | 100 | 37.5 Ų | 37.5 | 47% | 0.467 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -72.3 | -20 | -179.9 | -55.1 | 72.7 | -155.6 | 0 | 0 | 114 | S1071 Y1073 R1116 S1120 | S1071-E1118 PolarHBondContact OG-O 3.44Å; Y1073-E1118 HydrophobicContact CD1-CB 4.07Å; Y1073-E1118 HydrophobicContact CD2-CB 3.59Å; Y1073-E1118 HydrophobicContact CD2-CG 4.12Å; Y1073-E1118 HydrophobicContact CE2-CB 4.12Å; Y1073-E1118 HydrophobicContact CE2-CG 4.3Å; Y1073-E1118 HydrophobicContact CG-CB 3.57Å; R1116-E1118 WeakPolarHBondContact CB-OE2 3.19Å; R1116-E1118 PolarHBondContact O-N 3.34Å; E1118-S1120 PolarHBondContact O-N 2.03Å |
| 1119 | D | 86.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -76.7 | -5.4 | 171.6 | -51.9 | -66.4 | 0 | 0 | 0 | 112.2 | S1071 Y1073 R1074 Y1076 V1112 A1115 R1116 P1117 I1139 | S1071-D1119 WeakPolarHBondContact OG-CA 3.35Å; Y1073-D1119 WeakPolarHBondContact CD1-OD1 3.36Å; R1074-D1119 IonicContact CZ-OD1 3.8Å; R1074-D1119 VanDerWaalsContact CZ-OD1 3.29Å; R1074-D1119 IonicContact CZ-OD2 2.72Å; R1074-D1119 IonicContact NE-OD1 3.97Å; R1074-D1119 PolarHBondContact NE-OD1 2.91Å; R1074-D1119 IonicContact NE-OD2 2.78Å; R1074-D1119 IonicContact NH2-OD1 3.18Å; R1074-D1119 PolarHBondContact NH2-OD1 3.3Å; R1074-D1119 IonicContact NH2-OD2 2.82Å; R1074-D1119 PolarHBondContact NH2-OD2 3.39Å; Y1076-D1119 HydrophobicContact CE1-CB 4.44Å; Y1076-D1119 WeakPolarHBondContact CE1-OD1 3.21Å; Y1076-D1119 PolarHBondContact OH-OD1 3.43Å; Y1076-D1119 VanDerWaalsContact OH-OD1 3.08Å; V1112-D1119 HydrophobicContact CG1-CB 3.92Å; A1115-D1119 WeakPolarHBondContact CA-OD2 3.14Å; R1116-D1119 PolarHBondContact N-OD2 2.91Å; R1116-D1119 PolarHBondContact O-N 2.92Å; P1117-D1119 VanDerWaalsContact C-N 3.35Å; P1117-D1119 PolarHBondContact O-N 2.96Å; D1119-I1139 HydrophobicContact CB-CD1 3.56Å |
| 1120 | S | 85.3 | Confident | 84.2 | Confident | 40 Ų | 40 | 42.8 Ų | 42.8 | 28% | 0.28 | 24% | 0.235 | S | C | . | . | trans | -63.3 | 138.5 | 179.4 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | P1117 E1118 V1137 I1139 | P1117-S1120 WeakPolarHBondContact O-CB 3.17Å; P1117-S1120 PolarHBondContact O-N 2.81Å; P1117-S1120 PolarHBondContact O-OG 2.91Å; E1118-S1120 PolarHBondContact O-N 2.03Å; S1120-V1137 WeakPolarHBondContact CA-O 3.34Å; S1120-I1139 PolarHBondContact OG-N 2.84Å | ||
| 1121 | G | 86.7 | Confident | 83.2 | Confident | 12 Ų | 12 | 47.1 Ų | 47.1 | 12% | 0.124 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163 | 178.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1070 V1137 | T1070-G1121 WeakPolarHBondContact OG1-CA 3.38Å; G1121-V1137 PolarHBondContact N-O 3.22Å; G1121-V1137 PolarHBondContact O-N 3.31Å |
| 1122 | T | 88.9 | Confident | 82.4 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 126.9 | 170.9 | -50.9 | 0 | 0 | 0 | 0 | 109.2 | Y1069 T1070 Y1124 A1134 I1135 | Y1069-T1122 CarbonylContact C-O 3.45Å; Y1069-T1122 VanDerWaalsContact CA-O 3.27Å; Y1069-T1122 WeakPolarHBondContact CA-O 3.38Å; T1070-T1122 PolarHBondContact N-O 3.35Å; T1070-T1122 PolarHBondContact OG1-N 2.87Å; T1122-Y1124 HydrophobicContact CG2-CD1 4.31Å; T1122-Y1124 HydrophobicContact CG2-CD2 4.35Å; T1122-Y1124 HydrophobicContact CG2-CE1 3.73Å; T1122-Y1124 HydrophobicContact CG2-CE2 3.79Å; T1122-Y1124 VanDerWaalsContact CG2-CZ 3.43Å; T1122-A1134 HydrophobicContact CG2-CB 4Å; T1122-I1135 WeakPolarHBondContact CA-O 3.36Å |
| 1123 | F | 91 | Very high | 81.8 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126.1 | 173.6 | -69.9 | -104.1 | 0 | 0 | 0 | 108.5 | L1054 W1067 Y1069 Y1076 L1110 V1112 A1134 I1135 V1137 | L1054-F1123 HydrophobicContact CD1-CB 3.69Å; L1054-F1123 HydrophobicContact CD1-CD1 3.86Å; L1054-F1123 HydrophobicContact CD1-CD2 4.25Å; L1054-F1123 HydrophobicContact CD1-CG 3.67Å; W1067-F1123 HydrophobicContact CE3-CB 4.48Å; W1067-F1123 HydrophobicContact CZ3-CB 4.12Å; Y1069-F1123 HydrophobicContact CD1-CD1 4.43Å; Y1069-F1123 HydrophobicContact CG-CD1 4.29Å; Y1069-F1123 HydrophobicContact CG-CE1 4.25Å; Y1076-F1123 AromaticContact CD2-CE1 3.88Å; Y1076-F1123 HydrophobicContact CD2-CE1 3.88Å; Y1076-F1123 AromaticContact CE2-CE1 3.73Å; Y1076-F1123 HydrophobicContact CE2-CE1 3.73Å; Y1076-F1123 HydrophobicContact CE2-CZ 4Å; L1110-F1123 HydrophobicContact CD1-CD1 4.14Å; L1110-F1123 HydrophobicContact CD1-CE1 4.36Å; L1110-F1123 HydrophobicContact CD2-CD1 4.02Å; L1110-F1123 HydrophobicContact CD2-CE1 3.84Å; V1112-F1123 HydrophobicContact CG2-CE1 4.12Å; V1112-F1123 HydrophobicContact CG2-CZ 4.06Å; F1123-A1134 CarbonylContact O-C 3.6Å; F1123-A1134 WeakPolarHBondContact O-CA 3.45Å; F1123-I1135 HydrophobicContact CB-CG2 4.11Å; F1123-I1135 PolarHBondContact N-O 2.86Å; F1123-I1135 PolarHBondContact O-N 2.98Å; F1123-V1137 HydrophobicContact CD2-CB 4.05Å; F1123-V1137 HydrophobicContact CD2-CG2 3.65Å; F1123-V1137 HydrophobicContact CE2-CB 3.96Å; F1123-V1137 HydrophobicContact CE2-CG2 3.98Å |
| 1124 | Y | 89.9 | Confident | 81.5 | Confident | 68 Ų | 68 | 53.9 Ų | 53.9 | 27% | 0.267 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.2 | 179.9 | -50.9 | -95.1 | 0 | 0 | 0 | 109.4 | W1067 H1068 T1070 T1122 H1133 A1134 | W1067-Y1124 WeakPolarHBondContact CA-O 3.31Å; W1067-Y1124 VanDerWaalsContact CE3-O 3.24Å; H1068-Y1124 HydrophobicContact CB-CD2 4.37Å; H1068-Y1124 PolarHBondContact N-O 3.32Å; H1068-Y1124 PolarHBondContact O-N 2.76Å; H1068-Y1124 VanDerWaalsContact O-O 3.13Å; T1070-Y1124 HydrophobicContact CG2-CE2 3.99Å; T1122-Y1124 HydrophobicContact CG2-CD1 4.31Å; T1122-Y1124 HydrophobicContact CG2-CD2 4.35Å; T1122-Y1124 HydrophobicContact CG2-CE1 3.73Å; T1122-Y1124 HydrophobicContact CG2-CE2 3.79Å; T1122-Y1124 VanDerWaalsContact CG2-CZ 3.43Å; Y1124-H1133 CarbonylContact C-O 3.58Å; Y1124-H1133 VanDerWaalsContact CA-O 3.25Å; Y1124-H1133 WeakPolarHBondContact CA-O 3Å; Y1124-A1134 HydrophobicContact CD1-CB 3.6Å; Y1124-A1134 HydrophobicContact CE1-CB 3.83Å; Y1124-A1134 HydrophobicContact CG-CB 4.49Å |
| 1125 | C | 87.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 129.3 | 159.8 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | P1025 I1027 C1056 W1067 R1132 H1133 | P1025-C1125 HydrophobicContact CB-CB 4.41Å; I1027-C1125 HydrophobicContact CD1-CB 4.12Å; I1027-C1125 HydrophobicContact CG1-CB 3.96Å; C1056-C1125 HydrophobicContact CB-CB 3.61Å; C1056-C1125 WeakPolarHBondContact CB-SG 3.17Å; C1056-C1125 WeakPolarHBondContact SG-CB 3.4Å; C1056-C1125 CovalentContact SG-SG 2.01Å; C1056-C1125 PolarHBondContact SG-SG 2.84Å; W1067-C1125 HydrophobicContact CD2-CB 4.48Å; W1067-C1125 HydrophobicContact CE3-CB 4.28Å; W1067-C1125 HydrophobicContact CH2-CB 4.18Å; W1067-C1125 HydrophobicContact CZ2-CB 4.4Å; W1067-C1125 HydrophobicContact CZ3-CB 4.11Å; C1125-R1132 CarbonylContact O-C 3.58Å; C1125-R1132 VanDerWaalsContact O-CA 3.27Å; C1125-R1132 WeakPolarHBondContact O-CA 3.41Å; C1125-H1133 PolarHBondContact N-O 2.95Å; C1125-H1133 PolarHBondContact O-N 3.26Å |
| 1126 | V | 88.4 | Confident | 81.7 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.1 | -178.3 | -169 | 0 | 0 | 0 | 0 | 108.4 | P1065 A1066 R1131 R1132 | P1065-V1126 CarbonylContact C-O 3.49Å; P1065-V1126 VanDerWaalsContact CA-O 3.25Å; P1065-V1126 WeakPolarHBondContact CA-O 3.33Å; P1065-V1126 VanDerWaalsContact CB-O 3.3Å; P1065-V1126 WeakPolarHBondContact CB-O 3.42Å; A1066-V1126 PolarHBondContact N-O 3.49Å; A1066-V1126 PolarHBondContact O-N 3.35Å; V1126-R1131 WeakPolarHBondContact CA-O 3.25Å; V1126-R1132 HydrophobicContact CB-CB 4.49Å; V1126-R1132 HydrophobicContact CG1-CB 4.43Å; V1126-R1132 HydrophobicContact CG2-CB 3.9Å |
| 1127 | D | 80 | Confident | 82 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.053 | 27% | 0.266 | C | S | . | . | trans | -90.8 | 178 | 176.9 | 75.2 | -3.3 | 0 | 0 | 0 | 114.4 | P1025 Y1058 V1129 G1130 R1131 | P1025-D1127 HydrophobicContact CG-CB 4.04Å; Y1058-D1127 HydrophobicContact CD2-CB 3.91Å; Y1058-D1127 HydrophobicContact CE2-CB 3.25Å; D1127-V1129 PolarHBondContact O-N 3.42Å; D1127-V1129 VanDerWaalsContact OD1-C 3.3Å; D1127-V1129 WeakPolarHBondContact OD1-CA 3.35Å; D1127-V1129 WeakPolarHBondContact OD1-CB 3.5Å; D1127-V1129 PolarHBondContact OD1-N 3.37Å; D1127-G1130 PolarHBondContact O-N 2.86Å; D1127-G1130 PolarHBondContact OD1-N 3.11Å; D1127-G1130 VanDerWaalsContact OD1-N 3.13Å; D1127-R1131 PolarHBondContact N-O 3.32Å; D1127-R1131 WeakPolarHBondContact OD1-CB 2.97Å; D1127-R1131 PolarHBondContact OD1-N 3.32Å; D1127-R1131 IonicContact OD1-NE 2.7Å; D1127-R1131 IonicContact OD2-CZ 3.18Å; D1127-R1131 IonicContact OD2-NE 2.69Å; D1127-R1131 PolarHBondContact OD2-NE 2.82Å; D1127-R1131 IonicContact OD2-NH2 2.82Å; D1127-R1131 PolarHBondContact OD2-NH2 2.79Å | ||
| 1128 | S | 76.2 | Confident | 82.1 | Confident | 79 Ų | 79 | 50.1 Ų | 50.1 | 55% | 0.552 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -10.7 | 174.4 | 49.3 | 0 | 0 | 0 | 0 | 114.6 | Y1058 K1062 | Y1058-S1128 PolarHBondContact OH-OG 2.9Å; K1062-S1128 PolarHBondContact O-OG 2.82Å; K1062-S1128 VanDerWaalsContact O-OG 3.1Å |
| 1129 | V | 75.1 | Confident | 82.2 | Confident | 100 Ų | 100 | 45.8 Ų | 45.8 | 61% | 0.606 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 9.2 | 177.6 | -157.4 | 0 | 0 | 0 | 0 | 111.1 | D1127 R1131 | D1127-V1129 PolarHBondContact O-N 3.42Å; D1127-V1129 VanDerWaalsContact OD1-C 3.3Å; D1127-V1129 WeakPolarHBondContact OD1-CA 3.35Å; D1127-V1129 WeakPolarHBondContact OD1-CB 3.5Å; D1127-V1129 PolarHBondContact OD1-N 3.37Å; V1129-R1131 HydrophobicContact CB-CG 4.32Å; V1129-R1131 PolarHBondContact O-N 2.99Å |
| 1130 | G | 71.5 | Confident | 81.1 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 55% | 0.546 | 26% | 0.263 | S | S | . | . | trans | 72.3 | 5.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D1127 R1132 | D1127-G1130 PolarHBondContact O-N 2.86Å; D1127-G1130 PolarHBondContact OD1-N 3.11Å; D1127-G1130 VanDerWaalsContact OD1-N 3.13Å; G1130-R1132 PolarHBondContact O-N 3.43Å | ||
| 1131 | R | 71.5 | Confident | 79.6 | Confident | 92 Ų | 92 | 51.2 Ų | 51.2 | 35% | 0.347 | 27% | 0.267 | S | S | . | . | trans | -74.2 | 128 | 177.7 | -57.4 | 177.3 | -60.7 | -172.2 | 12 | 108.1 | P1024 P1025 V1126 D1127 V1129 | P1024-R1131 PolarHBondContact O-NH2 3.25Å; P1025-R1131 WeakPolarHBondContact CG-O 3.29Å; V1126-R1131 WeakPolarHBondContact CA-O 3.25Å; D1127-R1131 PolarHBondContact N-O 3.32Å; D1127-R1131 WeakPolarHBondContact OD1-CB 2.97Å; D1127-R1131 PolarHBondContact OD1-N 3.32Å; D1127-R1131 IonicContact OD1-NE 2.7Å; D1127-R1131 IonicContact OD2-CZ 3.18Å; D1127-R1131 IonicContact OD2-NE 2.69Å; D1127-R1131 PolarHBondContact OD2-NE 2.82Å; D1127-R1131 IonicContact OD2-NH2 2.82Å; D1127-R1131 PolarHBondContact OD2-NH2 2.79Å; V1129-R1131 HydrophobicContact CB-CG 4.32Å; V1129-R1131 PolarHBondContact O-N 2.99Å | ||
| 1132 | R | 75.3 | Confident | 77.7 | Confident | 192 Ų | 192 | 54 Ų | 54 | 73% | 0.725 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 134.7 | -173.2 | 68.1 | -175.1 | -178.6 | -174.2 | -1.8 | 113.1 | C1125 V1126 G1130 | C1125-R1132 CarbonylContact O-C 3.58Å; C1125-R1132 VanDerWaalsContact O-CA 3.27Å; C1125-R1132 WeakPolarHBondContact O-CA 3.41Å; V1126-R1132 HydrophobicContact CB-CB 4.49Å; V1126-R1132 HydrophobicContact CG1-CB 4.43Å; V1126-R1132 HydrophobicContact CG2-CB 3.9Å; G1130-R1132 PolarHBondContact O-N 3.43Å |
| 1133 | H | 76.2 | Confident | 75.2 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 13% | 0.125 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 150.6 | 162.9 | -172.8 | -95.8 | 0 | 0 | 0 | 109.9 | V991 P1025 I1027 Y1124 C1125 | V991-H1133 PolarHBondContact O-NE2 2.03Å; P1025-H1133 WeakPolarHBondContact O-CB 3.22Å; I1027-H1133 VanDerWaalsContact CA-CE1 3.5Å; I1027-H1133 WeakPolarHBondContact CA-CE1 3.19Å; I1027-H1133 WeakPolarHBondContact CB-CE1 3.41Å; I1027-H1133 HydrophobicContact CD1-CB 4.42Å; I1027-H1133 WeakPolarHBondContact CD1-CE1 3.28Å; I1027-H1133 HydrophobicContact CG1-CB 4.31Å; I1027-H1133 WeakPolarHBondContact CG1-CE1 3.48Å; I1027-H1133 WeakPolarHBondContact CG1-ND1 3.36Å; I1027-H1133 PolarHBondContact N-CE1 2.78Å; Y1124-H1133 CarbonylContact C-O 3.58Å; Y1124-H1133 VanDerWaalsContact CA-O 3.25Å; Y1124-H1133 WeakPolarHBondContact CA-O 3Å; C1125-H1133 PolarHBondContact N-O 2.95Å; C1125-H1133 PolarHBondContact O-N 3.26Å |
| 1134 | A | 80.9 | Confident | 72.5 | Confident | 40 Ų | 40 | 61.4 Ų | 61.4 | 33% | 0.331 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1122 F1123 Y1124 | T1122-A1134 HydrophobicContact CG2-CB 4Å; F1123-A1134 CarbonylContact O-C 3.6Å; F1123-A1134 WeakPolarHBondContact O-CA 3.45Å; Y1124-A1134 HydrophobicContact CD1-CB 3.6Å; Y1124-A1134 HydrophobicContact CE1-CB 3.83Å; Y1124-A1134 HydrophobicContact CG-CB 4.49Å |
| 1135 | I | 80 | Confident | 69.9 | Low | 16 Ų | 16 | 61.8 Ų | 61.8 | 8% | 0.082 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 131.8 | 169.5 | -168.9 | 169.2 | 0 | 0 | 0 | 109.4 | I1027 F1029 L1044 L1054 T1122 F1123 V1137 | I1027-I1135 HydrophobicContact CD1-CG2 4.06Å; I1027-I1135 HydrophobicContact CG2-CG2 4.09Å; F1029-I1135 HydrophobicContact CD1-CD1 3.98Å; L1044-I1135 HydrophobicContact CB-CD1 4.1Å; L1044-I1135 HydrophobicContact CB-CG1 4.27Å; L1044-I1135 HydrophobicContact CD2-CD1 3.96Å; L1054-I1135 HydrophobicContact CD1-CG2 4.05Å; L1054-I1135 HydrophobicContact CD2-CG2 4.29Å; T1122-I1135 WeakPolarHBondContact CA-O 3.36Å; F1123-I1135 HydrophobicContact CB-CG2 4.11Å; F1123-I1135 PolarHBondContact N-O 2.86Å; F1123-I1135 PolarHBondContact O-N 2.98Å; I1135-V1137 HydrophobicContact CG2-CG2 4.42Å |
| 1136 | R | 83.7 | Confident | 67.5 | Low | 129 Ų | 129 | 73.8 Ų | 73.8 | 49% | 0.487 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 120.7 | 176.7 | -178.3 | 162.5 | 169.6 | -114.3 | 9.6 | 109.4 | D1043 L1044 I1138 | D1043-R1136 WeakPolarHBondContact OD1-CB 3.47Å; D1043-R1136 WeakPolarHBondContact OD1-CD 3.5Å; D1043-R1136 WeakPolarHBondContact OD1-CG 3.35Å; D1043-R1136 IonicContact OD1-CZ 3.95Å; D1043-R1136 IonicContact OD1-NE 2.84Å; D1043-R1136 IonicContact OD1-NH1 2.93Å; D1043-R1136 PolarHBondContact OD1-NH1 2.81Å; D1043-R1136 IonicContact OD2-NH1 2.78Å; D1043-R1136 PolarHBondContact OD2-NH1 3.06Å; D1043-R1136 VanDerWaalsContact OD2-NH1 3.09Å; L1044-R1136 PolarHBondContact N-O 3.33Å; R1136-I1138 HydrophobicContact CG-CG1 4.42Å |
| 1137 | V | 87 | Confident | 65.3 | Low | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127 | -177.2 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | L1044 V1046 L1052 L1054 S1120 G1121 F1123 I1135 I1139 | L1044-V1137 HydrophobicContact CB-CG2 4.47Å; L1044-V1137 HydrophobicContact CD2-CG2 4.4Å; L1044-V1137 WeakPolarHBondContact O-CA 3.48Å; V1046-V1137 HydrophobicContact CB-CG1 4.47Å; V1046-V1137 HydrophobicContact CG2-CG1 3.75Å; L1052-V1137 HydrophobicContact CD2-CG1 3.97Å; L1052-V1137 HydrophobicContact CD2-CG2 4.2Å; L1054-V1137 HydrophobicContact CD1-CG2 4.49Å; S1120-V1137 WeakPolarHBondContact CA-O 3.34Å; G1121-V1137 PolarHBondContact N-O 3.22Å; G1121-V1137 PolarHBondContact O-N 3.31Å; F1123-V1137 HydrophobicContact CD2-CB 4.05Å; F1123-V1137 HydrophobicContact CD2-CG2 3.65Å; F1123-V1137 HydrophobicContact CE2-CB 3.96Å; F1123-V1137 HydrophobicContact CE2-CG2 3.98Å; I1135-V1137 HydrophobicContact CG2-CG2 4.42Å; V1137-I1139 HydrophobicContact CG1-CD1 4.32Å; V1137-I1139 HydrophobicContact CG1-CG1 4.24Å |
| 1138 | I | 81.8 | Confident | 63.7 | Low | 41 Ų | 41 | 82.6 Ų | 82.6 | 21% | 0.21 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 110.7 | -179.9 | -56.2 | 179.8 | 0 | 0 | 0 | 108.3 | D1043 L1044 I1045 V1046 R1136 K1140 | D1043-I1138 HydrophobicContact CB-CD1 3.65Å; D1043-I1138 HydrophobicContact CB-CG1 4.17Å; L1044-I1138 PolarHBondContact O-N 3.46Å; I1045-I1138 WeakPolarHBondContact CA-O 3.5Å; I1045-I1138 HydrophobicContact CD1-CB 4.02Å; I1045-I1138 HydrophobicContact CD1-CD1 4.26Å; I1045-I1138 HydrophobicContact CD1-CG2 4.48Å; V1046-I1138 PolarHBondContact N-O 2.84Å; R1136-I1138 HydrophobicContact CG-CG1 4.42Å; I1138-K1140 HydrophobicContact CG2-CG 4.18Å; I1138-K1140 PolarHBondContact O-N 3.22Å |
| 1139 | I | 83.5 | Confident | 62.3 | Low | 9 Ų | 9 | 82.4 Ų | 82.4 | 5% | 0.046 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 102.8 | -178.6 | -67.7 | 148.9 | 0 | 0 | 0 | 109.1 | V1046 A1115 R1116 D1119 S1120 V1137 | V1046-I1139 HydrophobicContact CB-CG1 3.78Å; V1046-I1139 HydrophobicContact CG1-CG1 4.08Å; V1046-I1139 CarbonylContact O-C 3.43Å; V1046-I1139 VanDerWaalsContact O-CA 3.31Å; V1046-I1139 WeakPolarHBondContact O-CA 3.28Å; A1115-I1139 HydrophobicContact CB-CD1 3.76Å; A1115-I1139 HydrophobicContact CB-CG1 4.03Å; A1115-I1139 HydrophobicContact CB-CG2 4.29Å; R1116-I1139 VanDerWaalsContact O-CD1 3.24Å; R1116-I1139 WeakPolarHBondContact O-CD1 3.25Å; R1116-I1139 WeakPolarHBondContact O-CG2 3.47Å; D1119-I1139 HydrophobicContact CB-CD1 3.56Å; S1120-I1139 PolarHBondContact OG-N 2.84Å; V1137-I1139 HydrophobicContact CG1-CD1 4.32Å; V1137-I1139 HydrophobicContact CG1-CG1 4.24Å |
| 1140 | K | 62.4 | Low | 61.2 | Low | 95 Ų | 95 | 77.6 Ų | 77.6 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 134.7 | -179 | -72.7 | -167.2 | 175.6 | -174.7 | 0 | 111.2 | I1045 V1046 R1048 I1138 | I1045-K1140 HydrophobicContact CG2-CB 4.41Å; I1045-K1140 HydrophobicContact CG2-CD 4.01Å; I1045-K1140 HydrophobicContact CG2-CG 4.12Å; V1046-K1140 PolarHBondContact O-N 3.21Å; R1048-K1140 PolarHBondContact N-O 2.84Å; I1138-K1140 HydrophobicContact CG2-CG 4.18Å; I1138-K1140 PolarHBondContact O-N 3.22Å |
| 1141 | V | 53.6 | Low | 60.1 | Low | 60 Ų | 60 | 77.4 Ų | 77.4 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 136 | 155.6 | -166 | 0 | 0 | 0 | 0 | 106.8 | P1117 I1143 | P1117-V1141 HydrophobicContact CG-CG2 3.57Å; V1141-I1143 HydrophobicContact CB-CG1 4.1Å; V1141-I1143 HydrophobicContact CG1-CG1 4.12Å; V1141-I1143 PolarHBondContact O-N 3.18Å |
| 1142 | L | 47.9 | Very low | 58.9 | Low | 69 Ų | 69 | 73.6 Ų | 73.6 | 36% | 0.361 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 116 | 163.4 | -68.9 | 168.8 | 0 | 0 | 0 | 106.4 | ||
| 1143 | I | 36.8 | Very low | 57.2 | Low | 129 Ų | 129 | 66.8 Ų | 66.8 | 66% | 0.662 | 32% | 0.319 | S | S | * | . | trans | -111.1 | 124.1 | -179.3 | -57.6 | 176.2 | 0 | 0 | 0 | 107.3 | V1141 T1145 | V1141-I1143 HydrophobicContact CB-CG1 4.1Å; V1141-I1143 HydrophobicContact CG1-CG1 4.12Å; V1141-I1143 PolarHBondContact O-N 3.18Å; I1143-T1145 PolarHBondContact O-N 3.36Å; I1143-T1145 VanDerWaalsContact O-N 3.12Å | ||
| 1144 | F | 33.6 | Very low | 55.4 | Low | 57 Ų | 57 | 72.4 Ų | 72.4 | 25% | 0.25 | 34% | 0.339 | C | S | . | . | trans | -82.6 | 81.4 | -179.5 | -70.4 | -99.6 | 0 | 0 | 0 | 111.3 | P767 E769 P798 | P767-F1144 HydrophobicContact CB-CZ 3.99Å; E769-F1144 HydrophobicContact CB-CD2 4.25Å; E769-F1144 HydrophobicContact CB-CE1 4.4Å; E769-F1144 HydrophobicContact CB-CE2 3.68Å; E769-F1144 HydrophobicContact CB-CZ 3.76Å; E769-F1144 VanDerWaalsContact OE2-CD2 3.24Å; E769-F1144 WeakPolarHBondContact OE2-CD2 3.35Å; E769-F1144 WeakPolarHBondContact OE2-CE2 3.49Å; P798-F1144 HydrophobicContact CB-CD1 4.37Å; P798-F1144 HydrophobicContact CB-CE1 4.39Å; P798-F1144 HydrophobicContact CG-CD1 3.76Å; P798-F1144 HydrophobicContact CG-CE1 3.39Å; P798-F1144 HydrophobicContact CG-CZ 4.21Å | ||
| 1145 | T | 34.5 | Very low | 52.8 | Low | 76 Ų | 76 | 73.9 Ų | 73.9 | 47% | 0.466 | 35% | 0.351 | S | S | . | . | trans | -77.5 | 158 | 159.8 | 57.2 | 0 | 0 | 0 | 0 | 110.1 | I1143 E1147 | I1143-T1145 PolarHBondContact O-N 3.36Å; I1143-T1145 VanDerWaalsContact O-N 3.12Å; T1145-E1147 VanDerWaalsContact CB-OE2 3.23Å; T1145-E1147 WeakPolarHBondContact CB-OE2 3.45Å; T1145-E1147 PolarHBondContact O-N 2.96Å; T1145-E1147 PolarHBondContact OG1-OE2 2.97Å | ||
| 1146 | R | 37.5 | Very low | 50.3 | Low | 252 Ų | 252 | 76.3 Ų | 76.3 | 95% | 0.951 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -76.1 | 41.3 | -177.7 | -74.1 | -175.3 | 169 | -178.3 | -2.5 | 113.3 | ||
| 1147 | E | 41.3 | Very low | 47.6 | Very low | 98 Ų | 98 | 77.1 Ų | 77.1 | 46% | 0.458 | 38% | 0.378 | S | S | . | . | trans | -122.1 | 129.6 | -164.4 | -64 | 174.2 | 124.5 | 0 | 0 | 113.3 | T1145 | T1145-E1147 VanDerWaalsContact CB-OE2 3.23Å; T1145-E1147 WeakPolarHBondContact CB-OE2 3.45Å; T1145-E1147 PolarHBondContact O-N 2.96Å; T1145-E1147 PolarHBondContact OG1-OE2 2.97Å | ||
| 1148 | K | 47.6 | Very low | 44.8 | Very low | 119 Ų | 119 | 81 Ų | 81 | 52% | 0.517 | 42% | 0.419 | S | S | . | . | trans | 23.7 | 91.2 | 169.4 | -56.7 | -179.9 | -169.5 | 169.3 | 0 | 116.8 | D829 G830 | D829-K1148 HydrophobicContact CB-CD 3.69Å; D829-K1148 WeakPolarHBondContact O-CD 3.32Å; D829-K1148 IonicContact OD2-NZ 3.9Å; D829-K1148 PolarHBondContact OD2-NZ 2.89Å; G830-K1148 PolarHBondContact N-O 2.93Å | ||
| 1149 | F | 47.4 | Very low | 42.3 | Very low | 75 Ų | 75 | 88.1 Ų | 88.1 | 33% | 0.329 | 45% | 0.448 | S | S | . | . | trans | -77.5 | 140.5 | 170.5 | -57.6 | -92.4 | 0 | 0 | 0 | 112.7 | R796 Y797 P798 G830 | R796-F1149 HydrophobicContact CB-CB 4Å; R796-F1149 HydrophobicContact CB-CD1 4.09Å; R796-F1149 HydrophobicContact CB-CG 4.18Å; R796-F1149 HydrophobicContact CG-CB 4.37Å; Y797-F1149 CarbonylContact O-C 3.5Å; Y797-F1149 VanDerWaalsContact O-CA 3.22Å; Y797-F1149 WeakPolarHBondContact O-CA 3.31Å; P798-F1149 HydrophobicContact CG-CD1 4.49Å; P798-F1149 HydrophobicContact CG-CE1 4.37Å; G830-F1149 WeakPolarHBondContact CA-O 3.07Å | ||
| 1150 | C | 51.2 | Low | 39.6 | Very low | 0 Ų | 0 | 96.2 Ų | 96.2 | 0% | 0 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 153.6 | 165 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | R796 Y797 C827 G830 R831 W832 | R796-C1150 CarbonylContact C-O 3.53Å; R796-C1150 WeakPolarHBondContact CA-O 3.32Å; Y797-C1150 PolarHBondContact N-O 2.8Å; Y797-C1150 PolarHBondContact O-N 3.28Å; C827-C1150 WeakPolarHBondContact CA-SG 3.29Å; C827-C1150 HydrophobicContact CB-CB 3.83Å; C827-C1150 WeakPolarHBondContact CB-SG 3.48Å; C827-C1150 WeakPolarHBondContact SG-CB 3.04Å; C827-C1150 PolarHBondContact SG-N 3.22Å; C827-C1150 VanDerWaalsContact SG-N 3.41Å; C827-C1150 CovalentContact SG-SG 2.02Å; C827-C1150 PolarHBondContact SG-SG 2.85Å; G830-C1150 VanDerWaalsContact CA-SG 3.5Å; R831-C1150 PolarHBondContact N-SG 3.5Å; R831-C1150 PolarHBondContact O-SG 3.2Å; W832-C1150 HydrophobicContact CD2-CB 4.02Å; W832-C1150 HydrophobicContact CG-CB 4.45Å; W832-C1150 HydrophobicContact CH2-CB 4.44Å; W832-C1150 HydrophobicContact CZ2-CB 3.89Å |
| 1151 | V | 48.6 | Very low | 38 | Very low | 49 Ų | 49 | 101.5 Ų | 101.5 | 30% | 0.297 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 140.3 | -179.7 | -164 | 0 | 0 | 0 | 0 | 110.6 | R795 W832 N1153 | R795-V1151 WeakPolarHBondContact O-CA 3.37Å; W832-V1151 PolarHBondContact NE1-O 2.97Å; V1151-N1153 WeakPolarHBondContact CG1-OD1 3.23Å; V1151-N1153 PolarHBondContact O-N 2.84Å |
| 1152 | T | 45.3 | Very low | 36.8 | Very low | 11 Ų | 11 | 109.8 Ų | 109.8 | 7% | 0.067 | 53% | 0.531 | C | S | . | . | trans | -79.7 | 67.9 | 173.8 | 47 | 0 | 0 | 0 | 0 | 112.6 | F792 R795 Y797 W832 W1154 | F792-T1152 PolarHBondContact O-OG1 2.84Å; R795-T1152 PolarHBondContact O-N 3.19Å; Y797-T1152 HydrophobicContact CD2-CG2 4.12Å; Y797-T1152 HydrophobicContact CE2-CG2 3.32Å; W832-T1152 HydrophobicContact CZ2-CG2 4.06Å; T1152-W1154 VanDerWaalsContact C-N 3.27Å; T1152-W1154 HydrophobicContact CG2-CE3 4.07Å; T1152-W1154 HydrophobicContact CG2-CZ3 3.85Å; T1152-W1154 PolarHBondContact O-N 3.47Å | ||
| 1153 | N | 41.1 | Very low | 35.7 | Very low | 50 Ų | 50 | 111.6 Ų | 111.6 | 27% | 0.267 | 56% | 0.555 | S | S | . | * | trans | -92.1 | 34.5 | 173.4 | -71.5 | -0.1 | 0 | 0 | 0 | 112.8 | V1151 A1155 E1157 | V1151-N1153 WeakPolarHBondContact CG1-OD1 3.23Å; V1151-N1153 PolarHBondContact O-N 2.84Å; N1153-A1155 PolarHBondContact O-N 2.83Å; N1153-E1157 HydrophobicContact CB-CG 4.34Å; N1153-E1157 WeakPolarHBondContact CB-OE1 3.46Å; N1153-E1157 PolarHBondContact ND2-OE1 3.38Å | ||
| 1154 | W | 37 | Very low | 35.3 | Very low | 145 Ų | 145 | 109.3 Ų | 109.3 | 55% | 0.549 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.5 | 8.2 | 173.7 | -73.8 | -50.4 | 0 | 0 | 0 | 114.4 | V825 W832 T1152 | V825-W1154 HydrophobicContact CG2-CH2 3.73Å; V825-W1154 HydrophobicContact CG2-CZ2 4.39Å; W832-W1154 HydrophobicContact CB-CH2 4.45Å; W832-W1154 HydrophobicContact CB-CZ2 3.86Å; W832-W1154 AromaticContact CD1-CH2 3.88Å; W832-W1154 AromaticContact CD1-CZ2 3.55Å; W832-W1154 AromaticContact CD2-CH2 3.58Å; W832-W1154 HydrophobicContact CD2-CH2 3.58Å; W832-W1154 AromaticContact CD2-CZ2 3.87Å; W832-W1154 HydrophobicContact CD2-CZ2 3.87Å; W832-W1154 AromaticContact CE2-CH2 3.63Å; W832-W1154 HydrophobicContact CE3-CH2 4.1Å; W832-W1154 AromaticContact CG-CH2 3.75Å; W832-W1154 HydrophobicContact CG-CH2 3.75Å; W832-W1154 AromaticContact CG-CZ2 3.49Å; W832-W1154 HydrophobicContact CG-CZ2 3.49Å; W832-W1154 VanDerWaalsContact CG-CZ2 3.49Å; W832-W1154 HydrophobicContact CZ2-CH2 4.17Å; W832-W1154 AromaticContact NE1-CH2 3.81Å; W832-W1154 AromaticContact NE1-CZ2 3.94Å; T1152-W1154 VanDerWaalsContact C-N 3.27Å; T1152-W1154 HydrophobicContact CG2-CE3 4.07Å; T1152-W1154 HydrophobicContact CG2-CZ3 3.85Å; T1152-W1154 PolarHBondContact O-N 3.47Å |
| 1155 | A | 26.7 | Very low | 35.1 | Very low | 71 Ų | 71 | 114.6 Ų | 114.6 | 59% | 0.587 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.2 | 141.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N1153 | N1153-A1155 PolarHBondContact O-N 2.83Š|
| 1156 | S | 27.6 | Very low | 35 | Very low | 66 Ų | 66 | 119.4 Ų | 119.4 | 46% | 0.462 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 83.2 | -9.3 | 168.6 | 80.8 | 0 | 0 | 0 | 0 | 121.4 | G1158 K1159 | S1156-G1158 PolarHBondContact O-N 2.99Å; S1156-G1158 VanDerWaalsContact O-N 3.17Å; S1156-K1159 PolarHBondContact O-N 2.88Å |
| 1157 | E | 27.6 | Very low | 34.5 | Very low | 146 Ų | 146 | 110.6 Ų | 110.6 | 68% | 0.682 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -21.1 | 174.9 | -91.2 | -179.2 | -160.5 | 0 | 0 | 113.9 | N1153 K1159 | N1153-E1157 HydrophobicContact CB-CG 4.34Å; N1153-E1157 WeakPolarHBondContact CB-OE1 3.46Å; N1153-E1157 PolarHBondContact ND2-OE1 3.38Å; E1157-K1159 VanDerWaalsContact C-N 3.34Å; E1157-K1159 PolarHBondContact O-N 2.03Å |
| 1158 | G | 28.6 | Very low | 33.9 | Very low | 83 Ų | 83 | 113.8 Ų | 113.8 | 86% | 0.856 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -1 | 169 | 0 | 0 | 0 | 0 | 0 | 116.2 | S1156 | S1156-G1158 PolarHBondContact O-N 2.99Å; S1156-G1158 VanDerWaalsContact O-N 3.17Å |
| 1159 | K | 27.8 | Very low | 33 | Very low | 190 Ų | 190 | 113.9 Ų | 113.9 | 83% | 0.826 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | 6.9 | -170.1 | -75.8 | -172.3 | 176.9 | 176.3 | 0 | 116.8 | S1156 E1157 | S1156-K1159 PolarHBondContact O-N 2.88Å; E1157-K1159 VanDerWaalsContact C-N 3.34Å; E1157-K1159 PolarHBondContact O-N 2.03Å |
| 1160 | K | 28 | Very low | 32 | Very low | 179 Ų | 179 | 119.5 Ų | 119.5 | 78% | 0.778 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -125.2 | 26.1 | -179.7 | -75.3 | -167.2 | 171.6 | -173.4 | 0 | 116.2 | ||
| 1161 | K | 28.3 | Very low | 30.9 | Very low | 207 Ų | 207 | 130.7 Ų | 130.7 | 90% | 0.9 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -129 | 24.8 | 172.1 | -99 | -169.7 | 176 | -175.1 | 0 | 114.8 | ||
| 1162 | R | 27.5 | Very low | 30.2 | Very low | 234 Ų | 234 | 132.3 Ų | 132.3 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | trans | -140.8 | 75.3 | 174.7 | -65.2 | -174.5 | -174.2 | 174.6 | 2.7 | 110.1 | ||||
| 1163 | A | 26.7 | Very low | 30.4 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 88% | 0.876 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -155.6 | 10 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1164 | A | 28.2 | Very low | 31.2 | Very low | 82 Ų | 82 | 138 Ų | 138 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -136.8 | 163.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||
| 1165 | D | 29.2 | Very low | 32.8 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | trans | 60.1 | 54.7 | -175.8 | -56.5 | -17.6 | 0 | 0 | 0 | 114.9 | ||||
| 1166 | I | 30.9 | Very low | 35.2 | Very low | 177 Ų | 177 | 131 Ų | 131 | 91% | 0.908 | 72% | 0.719 | S | S | * | * | trans | -118.8 | 96.1 | 153.1 | -60.4 | -177.8 | 0 | 0 | 0 | 108.2 | ||||
| 1167 | G | 27.6 | Very low | 37.5 | Very low | 68 Ų | 68 | 131.6 Ų | 131.6 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | trans | -140.8 | 105.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1168 | L | 29.8 | Very low | 39.6 | Very low | 165 Ų | 165 | 131.6 Ų | 131.6 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 72.2 | 115.5 | 160.3 | -56.4 | 171.6 | 0 | 0 | 0 | 120.1 | ||
| 1169 | T | 28.1 | Very low | 41.5 | Very low | 121 Ų | 121 | 129 Ų | 129 | 74% | 0.742 | 69% | 0.692 | S | S | * | * | trans | 62.4 | 85.7 | 134.8 | 59.3 | 0 | 0 | 0 | 0 | 121.4 | R1171 | T1169-R1171 PolarHBondContact O-N 3.27Š| ||
| 1170 | M | 26.1 | Very low | 42.9 | Very low | 193 Ų | 193 | 127 Ų | 127 | 95% | 0.951 | 69% | 0.691 | S | S | * | * | 25.4 | 78.9 | 116.5 | -65.5 | -75.1 | -80.3 | 0 | 0 | 118.7 | |||||
| 1171 | R | 29 | Very low | 44.3 | Very low | 235 Ų | 235 | 124.7 Ų | 124.7 | 89% | 0.887 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -142.5 | 155.3 | 134.7 | -93.8 | -178.5 | -177.2 | -177.5 | 0.1 | 107.4 | T1169 N1173 | T1169-R1171 PolarHBondContact O-N 3.27Å; R1171-N1173 PolarHBondContact O-N 3.19Å |
| 1172 | G | 33.9 | Very low | 45.5 | Very low | 83 Ų | 83 | 116.7 Ų | 116.7 | 86% | 0.856 | 66% | 0.659 | S | S | * | * | trans | -63.4 | 99.8 | -163.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1173 | N | 48.3 | Very low | 46.7 | Very low | 117 Ų | 117 | 113 Ų | 113 | 63% | 0.626 | 65% | 0.652 | S | S | * | * | trans | -91.5 | 109.4 | 177.5 | -81.4 | -20.6 | 0 | 0 | 0 | 111.4 | R1171 T1175 Y1194 | R1171-N1173 PolarHBondContact O-N 3.19Å; N1173-T1175 PolarHBondContact O-N 2.99Å; N1173-Y1194 HydrophobicContact CB-CD1 4.17Å | ||
| 1174 | I | 58.2 | Low | 48.3 | Very low | 64 Ų | 64 | 108.5 Ų | 108.5 | 33% | 0.328 | 62% | 0.615 | S | S | . | * | trans | -62.5 | 130.4 | 162.2 | -67.4 | 155.6 | 0 | 0 | 0 | 108.3 | Y1194 F1195 E1219 | I1174-Y1194 CarbonylContact O-C 3.51Å; I1174-Y1194 WeakPolarHBondContact O-CA 3.49Å; I1174-F1195 HydrophobicContact CB-CB 3.93Å; I1174-F1195 HydrophobicContact CG2-CB 4.02Å; I1174-F1195 PolarHBondContact O-N 2.89Å; I1174-E1219 HydrophobicContact CD1-CG 3.9Å; I1174-E1219 WeakPolarHBondContact CD1-O 3.13Å; I1174-E1219 WeakPolarHBondContact CG2-O 3.15Å | ||
| 1175 | T | 69.9 | Low | 50.5 | Low | 66 Ų | 66 | 106 Ų | 106 | 41% | 0.405 | 59% | 0.589 | S | S | . | * | B | Isolated β-bridge | trans | -136 | 138.6 | -179.1 | 52.7 | 0 | 0 | 0 | 0 | 112 | N1173 N1193 Y1194 | N1173-T1175 PolarHBondContact O-N 2.99Å; T1175-N1193 CarbonylContact C-O 3.41Å; T1175-N1193 WeakPolarHBondContact CA-O 3.33Å; T1175-Y1194 HydrophobicContact CG2-CD1 3.55Å; T1175-Y1194 HydrophobicContact CG2-CE1 4.05Å; T1175-Y1194 HydrophobicContact CG2-CG 4.47Å |
| 1176 | C | 77.6 | Confident | 52.9 | Low | 1 Ų | 1 | 102 Ų | 102 | 1% | 0.007 | 57% | 0.567 | C | S | . | * | P | Polyproline II helix | trans | -89.8 | 154.3 | 174.8 | -64.5 | 0 | 0 | 0 | 0 | 112.6 | N1193 C1217 G1221 Q1222 W1223 | C1176-N1193 PolarHBondContact N-O 3.09Å; C1176-N1193 PolarHBondContact O-ND2 3.19Å; C1176-C1217 HydrophobicContact CB-CB 3.86Å; C1176-C1217 WeakPolarHBondContact CB-SG 3.48Å; C1176-C1217 PolarHBondContact N-SG 2.95Å; C1176-C1217 VanDerWaalsContact N-SG 3.38Å; C1176-C1217 WeakPolarHBondContact SG-CA 3.48Å; C1176-C1217 WeakPolarHBondContact SG-CB 3.36Å; C1176-C1217 CovalentContact SG-SG 2.03Å; C1176-C1217 PolarHBondContact SG-SG 3.24Å; C1176-G1221 WeakPolarHBondContact CA-O 3.41Å; C1176-Q1222 PolarHBondContact SG-O 2.86Å; C1176-W1223 HydrophobicContact CB-CD2 3.92Å; C1176-W1223 HydrophobicContact CB-CE3 4.45Å; C1176-W1223 HydrophobicContact CB-CG 4.31Å; C1176-W1223 HydrophobicContact CB-CH2 4.29Å; C1176-W1223 HydrophobicContact CB-CZ2 3.74Å |
| 1177 | P | 76.8 | Confident | 55 | Low | 80 Ų | 80 | 94.5 Ų | 94.5 | 52% | 0.519 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 141.2 | 179.7 | -27.1 | 34.8 | 0 | 0 | 0 | 113 | L1179 G1221 W1223 | P1177-L1179 PolarHBondContact O-N 2.88Å; P1177-G1221 WeakPolarHBondContact CD-O 3.27Å; P1177-W1223 PolarHBondContact O-NE1 3.12Å |
| 1178 | L | 70.3 | Confident | 57.4 | Low | 145 Ų | 145 | 99 Ų | 99 | 76% | 0.759 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 118.8 | 175.9 | -73.8 | 171.9 | 0 | 0 | 0 | 110.3 | N1180 N1193 | L1178-N1180 PolarHBondContact O-N 2.85Å; L1178-N1193 HydrophobicContact CD2-CB 4.34Å |
| 1179 | L | 70.4 | Confident | 59.4 | Low | 29 Ų | 29 | 93.6 Ų | 93.6 | 15% | 0.152 | 51% | 0.511 | C | S | . | . | trans | -67.2 | 107.8 | 179.1 | -67.3 | 166.7 | 0 | 0 | 0 | 109.4 | P1177 Q1181 V1199 L1201 L1215 W1223 L1228 | P1177-L1179 PolarHBondContact O-N 2.88Å; L1179-Q1181 PolarHBondContact O-N 3.1Å; L1179-Q1181 VanDerWaalsContact O-N 3.13Å; L1179-V1199 HydrophobicContact CD1-CB 4Å; L1179-V1199 HydrophobicContact CD1-CG1 3.8Å; L1179-V1199 HydrophobicContact CD1-CG2 4.02Å; L1179-L1201 HydrophobicContact CD1-CD2 4.42Å; L1179-L1215 HydrophobicContact CD1-CD1 3.95Å; L1179-L1215 HydrophobicContact CD2-CD1 4.03Å; L1179-W1223 HydrophobicContact CD1-CD2 4.23Å; L1179-W1223 HydrophobicContact CD1-CH2 4.32Å; L1179-W1223 HydrophobicContact CD1-CZ2 3.86Å; L1179-W1223 HydrophobicContact CD2-CG 4.35Å; L1179-W1223 HydrophobicContact CG-CZ2 4.02Å; L1179-L1228 HydrophobicContact CD2-CD1 3.89Å; L1179-L1228 HydrophobicContact CD2-CD2 3.78Å; L1179-L1228 HydrophobicContact CD2-CG 4.41Å | ||
| 1180 | N | 56.9 | Low | 61.3 | Low | 149 Ų | 149 | 92.1 Ų | 92.1 | 80% | 0.797 | 50% | 0.502 | S | S | * | . | trans | -69.5 | 110.9 | -169.8 | -160 | -2.5 | 0 | 0 | 0 | 110.3 | L1178 G1182 | L1178-N1180 PolarHBondContact O-N 2.85Å; N1180-G1182 PolarHBondContact O-N 2.9Å | ||
| 1181 | Q | 57 | Low | 63 | Low | 129 Ų | 129 | 90.9 Ų | 90.9 | 60% | 0.603 | 49% | 0.491 | S | S | * | . | trans | -73.4 | 72.9 | -176.3 | -66 | -175.1 | -2.7 | 0 | 0 | 111.3 | L1179 A1187 | L1179-Q1181 PolarHBondContact O-N 3.1Å; L1179-Q1181 VanDerWaalsContact O-N 3.13Å; Q1181-A1187 HydrophobicContact CG-CB 4.45Å; Q1181-A1187 PolarHBondContact NE2-O 3.19Å | ||
| 1182 | G | 53 | Low | 64.9 | Low | 39 Ų | 39 | 81.6 Ų | 81.6 | 40% | 0.402 | 47% | 0.468 | S | S | . | . | trans | -57.2 | 160.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1180 A1184 M1185 | N1180-G1182 PolarHBondContact O-N 2.9Å; G1182-A1184 PolarHBondContact O-N 3.22Å; G1182-M1185 PolarHBondContact O-N 2.77Å | ||
| 1183 | Q | 52.9 | Low | 66.7 | Low | 157 Ų | 157 | 79.4 Ų | 79.4 | 73% | 0.734 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -15.5 | -167.5 | -73.3 | 178.5 | -32.2 | 0 | 0 | 116 | R1204 | Q1183-R1204 WeakPolarHBondContact O-CD 3.27Å; Q1183-R1204 PolarHBondContact O-NE 2.85Å; Q1183-R1204 PolarHBondContact O-NH1 2.72Å; Q1183-R1204 VanDerWaalsContact O-NH1 3.14Å |
| 1184 | A | 60.9 | Low | 68 | Low | 12 Ų | 12 | 79.2 Ų | 79.2 | 10% | 0.099 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -12.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | G1182 C1203 R1204 F1207 C1231 | G1182-A1184 PolarHBondContact O-N 3.22Å; A1184-C1203 CarbonylContact O-C 3.52Å; A1184-C1203 VanDerWaalsContact O-CA 3.32Å; A1184-C1203 WeakPolarHBondContact O-CA 3.39Å; A1184-R1204 PolarHBondContact O-N 2.87Å; A1184-F1207 HydrophobicContact CB-CB 4.07Å; A1184-F1207 HydrophobicContact CB-CD1 3.38Å; A1184-F1207 HydrophobicContact CB-CD2 3.74Å; A1184-F1207 HydrophobicContact CB-CE1 3.64Å; A1184-F1207 HydrophobicContact CB-CE2 3.97Å; A1184-F1207 HydrophobicContact CB-CG 3.45Å; A1184-F1207 VanDerWaalsContact CB-CG 3.45Å; A1184-F1207 HydrophobicContact CB-CZ 3.94Å; A1184-C1231 HydrophobicContact CB-CB 3.7Å |
| 1185 | M | 74.3 | Confident | 69 | Low | 28 Ų | 28 | 81.5 Ų | 81.5 | 14% | 0.138 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 139.2 | -169.9 | -167.5 | -176.9 | -72.4 | 0 | 0 | 112.7 | G1182 L1201 P1229 | G1182-M1185 PolarHBondContact O-N 2.77Å; M1185-L1201 HydrophobicContact CG-CD2 4.47Å; M1185-L1201 HydrophobicContact SD-CD2 4.04Å; M1185-P1229 WeakPolarHBondContact CE-O 3.49Å |
| 1186 | I | 78.5 | Confident | 69.3 | Low | 85 Ų | 85 | 80 Ų | 80 | 44% | 0.436 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.9 | 174.6 | -53.6 | 171.9 | 0 | 0 | 0 | 107.4 | K1202 R1204 | I1186-K1202 WeakPolarHBondContact CA-O 3.41Å; I1186-K1202 HydrophobicContact CB-CB 4.44Å; I1186-K1202 WeakPolarHBondContact CB-O 3.01Å; I1186-K1202 PolarHBondContact N-O 2.76Å; I1186-K1202 PolarHBondContact O-N 3.25Å; I1186-R1204 HydrophobicContact CD1-CG 4.04Å; I1186-R1204 HydrophobicContact CG1-CG 4.06Å |
| 1187 | A | 74.7 | Confident | 69.4 | Low | 19 Ų | 19 | 80.2 Ų | 80.2 | 16% | 0.157 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 118.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q1181 V1199 L1201 | Q1181-A1187 HydrophobicContact CG-CB 4.45Å; Q1181-A1187 PolarHBondContact NE2-O 3.19Å; A1187-V1199 HydrophobicContact CB-CG1 3.84Å; A1187-L1201 HydrophobicContact CB-CD2 3.69Å |
| 1188 | K | 79.3 | Confident | 69.7 | Low | 162 Ų | 162 | 77.7 Ų | 77.7 | 70% | 0.704 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 102.8 | 177.9 | -172.3 | 177 | -177.5 | 179.1 | 0 | 109.8 | V1199 D1200 | K1188-V1199 WeakPolarHBondContact O-CA 3.04Å; K1188-D1200 PolarHBondContact N-O 3.47Å; K1188-D1200 PolarHBondContact O-N 2.86Å |
| 1189 | A | 70.6 | Confident | 70.3 | Confident | 51 Ų | 51 | 71 Ų | 71 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 147.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1198 V1199 | A1189-V1198 CarbonylContact C-O 3.6Å; A1189-V1198 WeakPolarHBondContact CA-O 3.03Å; A1189-V1199 HydrophobicContact CB-CG2 3.92Å |
| 1190 | T | 69.6 | Low | 71 | Confident | 90 Ų | 90 | 72 Ų | 72 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -85.8 | -36.9 | 177.3 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | V1198 | T1190-V1198 HydrophobicContact CG2-CB 4.11Å; T1190-V1198 PolarHBondContact N-O 2.89Å; T1190-V1198 PolarHBondContact OG1-N 3.46Å; T1190-V1198 VanDerWaalsContact OG1-N 3.07Å; T1190-V1198 PolarHBondContact OG1-O 2.91Å |
| 1191 | K | 62 | Low | 72.4 | Confident | 168 Ų | 168 | 65.3 Ų | 65.3 | 73% | 0.73 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -147.1 | 40.9 | -178.1 | -67.2 | -167.3 | 176.3 | -174.7 | 0 | 112.6 | Y1194 S1197 | K1191-Y1194 WeakPolarHBondContact O-CD2 3.05Å; K1191-S1197 PolarHBondContact O-OG 2.95Å |
| 1192 | G | 67.3 | Low | 73.7 | Confident | 39 Ų | 39 | 66.2 Ų | 66.2 | 40% | 0.402 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | -137.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1197 | G1192-S1197 WeakPolarHBondContact O-CB 3.43Š|
| 1193 | N | 73.1 | Confident | 75.2 | Confident | 37 Ų | 37 | 65.7 Ų | 65.7 | 20% | 0.198 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 12.7 | -173.8 | 69.2 | -44.3 | 0 | 0 | 0 | 114.7 | T1175 C1176 L1178 W1223 | T1175-N1193 CarbonylContact C-O 3.41Å; T1175-N1193 WeakPolarHBondContact CA-O 3.33Å; C1176-N1193 PolarHBondContact N-O 3.09Å; C1176-N1193 PolarHBondContact O-ND2 3.19Å; L1178-N1193 HydrophobicContact CD2-CB 4.34Å; N1193-W1223 HydrophobicContact CB-CZ2 4.44Å |
| 1194 | Y | 75 | Confident | 76.6 | Confident | 113 Ų | 113 | 64.1 Ų | 64.1 | 44% | 0.443 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -70.3 | 163.6 | 176 | -44.2 | -75.7 | 0 | 0 | 0 | 111.9 | N1173 I1174 T1175 K1191 G1196 S1197 C1217 | N1173-Y1194 HydrophobicContact CB-CD1 4.17Å; I1174-Y1194 CarbonylContact O-C 3.51Å; I1174-Y1194 WeakPolarHBondContact O-CA 3.49Å; T1175-Y1194 HydrophobicContact CG2-CD1 3.55Å; T1175-Y1194 HydrophobicContact CG2-CE1 4.05Å; T1175-Y1194 HydrophobicContact CG2-CG 4.47Å; K1191-Y1194 WeakPolarHBondContact O-CD2 3.05Å; Y1194-G1196 PolarHBondContact O-N 2.95Å; Y1194-S1197 PolarHBondContact N-OG 2.75Å; Y1194-S1197 WeakPolarHBondContact O-CB 3.22Å; Y1194-S1197 PolarHBondContact O-N 3.17Å; Y1194-S1197 PolarHBondContact O-OG 3.11Å; Y1194-C1217 WeakPolarHBondContact O-CB 3.39Å |
| 1195 | F | 78.2 | Confident | 77.6 | Confident | 113 Ų | 113 | 68.4 Ų | 68.4 | 50% | 0.496 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.3 | 137 | 172.1 | 169.5 | -118.7 | 0 | 0 | 0 | 112.9 | I1174 S1197 E1219 | I1174-F1195 HydrophobicContact CB-CB 3.93Å; I1174-F1195 HydrophobicContact CG2-CB 4.02Å; I1174-F1195 PolarHBondContact O-N 2.89Å; F1195-S1197 PolarHBondContact O-N 3.25Å; F1195-E1219 HydrophobicContact CD2-CB 4.14Å; F1195-E1219 HydrophobicContact CE2-CB 3.69Å; F1195-E1219 HydrophobicContact CE2-CG 4.31Å; F1195-E1219 HydrophobicContact CZ-CB 4.31Å |
| 1196 | G | 77.3 | Confident | 77.5 | Confident | 34 Ų | 34 | 67.3 Ų | 67.3 | 35% | 0.351 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -11.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y1194 C1217 | Y1194-G1196 PolarHBondContact O-N 2.95Å; G1196-C1217 PolarHBondContact N-O 3.48Å |
| 1197 | S | 79.8 | Confident | 77.8 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 4% | 0.035 | 35% | 0.347 | C | S | . | . | trans | -58.2 | 143.1 | 173.8 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | K1191 G1192 Y1194 F1195 R1216 C1217 | K1191-S1197 PolarHBondContact O-OG 2.95Å; G1192-S1197 WeakPolarHBondContact O-CB 3.43Å; Y1194-S1197 PolarHBondContact N-OG 2.75Å; Y1194-S1197 WeakPolarHBondContact O-CB 3.22Å; Y1194-S1197 PolarHBondContact O-N 3.17Å; Y1194-S1197 PolarHBondContact O-OG 3.11Å; F1195-S1197 PolarHBondContact O-N 3.25Å; S1197-R1216 CarbonylContact O-C 3.57Å; S1197-R1216 WeakPolarHBondContact O-CA 3.41Å; S1197-C1217 PolarHBondContact O-N 2.73Å | ||
| 1198 | V | 83.5 | Confident | 78.2 | Confident | 27 Ų | 27 | 68.9 Ų | 68.9 | 16% | 0.164 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139 | 178.2 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | A1189 T1190 R1214 L1215 R1216 | A1189-V1198 CarbonylContact C-O 3.6Å; A1189-V1198 WeakPolarHBondContact CA-O 3.03Å; T1190-V1198 HydrophobicContact CG2-CB 4.11Å; T1190-V1198 PolarHBondContact N-O 2.89Å; T1190-V1198 PolarHBondContact OG1-N 3.46Å; T1190-V1198 VanDerWaalsContact OG1-N 3.07Å; T1190-V1198 PolarHBondContact OG1-O 2.91Å; V1198-R1214 HydrophobicContact CG1-CG 3.64Å; V1198-L1215 CarbonylContact C-O 3.47Å; V1198-L1215 VanDerWaalsContact CA-O 3.31Å; V1198-L1215 WeakPolarHBondContact CA-O 3.39Å; V1198-R1216 HydrophobicContact CG2-CB 4.42Å |
| 1199 | V | 82.4 | Confident | 78.3 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 122.2 | 176.2 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | L1179 A1187 K1188 A1189 L1201 R1214 L1215 W1223 | L1179-V1199 HydrophobicContact CD1-CB 4Å; L1179-V1199 HydrophobicContact CD1-CG1 3.8Å; L1179-V1199 HydrophobicContact CD1-CG2 4.02Å; A1187-V1199 HydrophobicContact CB-CG1 3.84Å; K1188-V1199 WeakPolarHBondContact O-CA 3.04Å; A1189-V1199 HydrophobicContact CB-CG2 3.92Å; V1199-L1201 HydrophobicContact CG1-CD2 3.89Å; V1199-L1201 HydrophobicContact CG1-CG 4.44Å; V1199-R1214 WeakPolarHBondContact O-CA 3.4Å; V1199-L1215 PolarHBondContact N-O 2.98Å; V1199-L1215 PolarHBondContact O-N 2.88Å; V1199-W1223 HydrophobicContact CB-CH2 4.45Å; V1199-W1223 HydrophobicContact CB-CZ3 4.36Å; V1199-W1223 HydrophobicContact CG2-CH2 3.38Å; V1199-W1223 HydrophobicContact CG2-CZ2 4.21Å; V1199-W1223 HydrophobicContact CG2-CZ3 3.67Å |
| 1200 | D | 85.5 | Confident | 78.8 | Confident | 51 Ų | 51 | 65.7 Ų | 65.7 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 130.4 | 167.6 | -72 | -28.1 | 0 | 0 | 0 | 109.7 | K1188 R1214 | K1188-D1200 PolarHBondContact N-O 3.47Å; K1188-D1200 PolarHBondContact O-N 2.86Å; D1200-R1214 VanDerWaalsContact CG-NH2 3.33Å; D1200-R1214 IonicContact OD1-CZ 2.8Å; D1200-R1214 IonicContact OD1-NE 2.71Å; D1200-R1214 PolarHBondContact OD1-NE 3.16Å; D1200-R1214 IonicContact OD1-NH2 2.62Å; D1200-R1214 PolarHBondContact OD1-NH2 2.99Å; D1200-R1214 IonicContact OD2-NH2 3.36Å; D1200-R1214 PolarHBondContact OD2-NH2 3.3Å |
| 1201 | L | 84.9 | Confident | 79.2 | Confident | 7 Ų | 7 | 63.3 Ų | 63.3 | 4% | 0.037 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.4 | -178.4 | -65.2 | 179.9 | 0 | 0 | 0 | 111.2 | L1179 M1185 A1187 V1199 L1209 S1213 L1215 P1229 | L1179-L1201 HydrophobicContact CD1-CD2 4.42Å; M1185-L1201 HydrophobicContact CG-CD2 4.47Å; M1185-L1201 HydrophobicContact SD-CD2 4.04Å; A1187-L1201 HydrophobicContact CB-CD2 3.69Å; V1199-L1201 HydrophobicContact CG1-CD2 3.89Å; V1199-L1201 HydrophobicContact CG1-CG 4.44Å; L1201-L1209 HydrophobicContact CB-CD2 4.34Å; L1201-S1213 PolarHBondContact N-O 2.9Å; L1201-L1215 HydrophobicContact CD1-CD1 3.84Å; L1201-L1215 HydrophobicContact CD1-CG 4.08Å; L1201-P1229 HydrophobicContact CD1-CB 3.91Å; L1201-P1229 HydrophobicContact CD1-CG 3.84Å |
| 1202 | K | 85.4 | Confident | 80.1 | Confident | 149 Ų | 149 | 57 Ų | 57 | 65% | 0.648 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 149.2 | 172.2 | -63.3 | -173.6 | 178.2 | -174 | 0 | 109.8 | I1186 | I1186-K1202 WeakPolarHBondContact CA-O 3.41Å; I1186-K1202 HydrophobicContact CB-CB 4.44Å; I1186-K1202 WeakPolarHBondContact CB-O 3.01Å; I1186-K1202 PolarHBondContact N-O 2.76Å; I1186-K1202 PolarHBondContact O-N 3.25Å |
| 1203 | C | 84 | Confident | 81 | Confident | 28 Ų | 28 | 58.9 Ų | 58.9 | 19% | 0.189 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 156.6 | 169.8 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | A1184 F1207 L1209 C1231 | A1184-C1203 CarbonylContact O-C 3.52Å; A1184-C1203 VanDerWaalsContact O-CA 3.32Å; A1184-C1203 WeakPolarHBondContact O-CA 3.39Å; C1203-F1207 HydrophobicContact CB-CB 3.97Å; C1203-F1207 WeakPolarHBondContact CB-O 3Å; C1203-L1209 VanDerWaalsContact SG-CA 3.51Å; C1203-L1209 VanDerWaalsContact SG-CB 3.59Å; C1203-L1209 PolarHBondContact SG-N 2.82Å; C1203-C1231 WeakPolarHBondContact CA-SG 3.07Å; C1203-C1231 HydrophobicContact CB-CB 3.89Å; C1203-C1231 WeakPolarHBondContact CB-SG 3.2Å; C1203-C1231 VanDerWaalsContact SG-CA 3.52Å; C1203-C1231 WeakPolarHBondContact SG-CB 3.45Å; C1203-C1231 CovalentContact SG-SG 2.04Å; C1203-C1231 PolarHBondContact SG-SG 2.88Å |
| 1204 | R | 82.5 | Confident | 81.7 | Confident | 124 Ų | 124 | 64.2 Ų | 64.2 | 47% | 0.468 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 157.6 | 169 | -65.3 | -173.6 | -169.6 | -175.1 | -2.3 | 110.4 | Q1183 A1184 I1186 G1206 F1207 | Q1183-R1204 WeakPolarHBondContact O-CD 3.27Å; Q1183-R1204 PolarHBondContact O-NE 2.85Å; Q1183-R1204 PolarHBondContact O-NH1 2.72Å; Q1183-R1204 VanDerWaalsContact O-NH1 3.14Å; A1184-R1204 PolarHBondContact O-N 2.87Å; I1186-R1204 HydrophobicContact CD1-CG 4.04Å; I1186-R1204 HydrophobicContact CG1-CG 4.06Å; R1204-G1206 PolarHBondContact O-N 3.32Å; R1204-F1207 PolarHBondContact O-N 3.03Å; R1204-F1207 VanDerWaalsContact O-N 3.15Å |
| 1205 | P | 80.7 | Confident | 82.3 | Confident | 102 Ų | 102 | 58.9 Ų | 58.9 | 66% | 0.662 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 139.6 | 174.1 | -27.6 | 35.9 | 0 | 0 | 0 | 112.4 | Y1255 | P1205-Y1255 WeakPolarHBondContact O-CE1 3.38Š|
| 1206 | G | 74 | Confident | 82.8 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 6.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | R1204 V1234 | R1204-G1206 PolarHBondContact O-N 3.32Å; G1206-V1234 WeakPolarHBondContact O-CG2 3.28Å; G1206-V1234 PolarHBondContact O-N 2.88Å |
| 1207 | F | 84.8 | Confident | 83.2 | Confident | 65 Ų | 65 | 59 Ų | 59 | 29% | 0.285 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 141.3 | 173.3 | -60.9 | -98.6 | 0 | 0 | 0 | 111.8 | A1184 C1203 R1204 C1231 Q1232 A1233 Y1255 | A1184-F1207 HydrophobicContact CB-CB 4.07Å; A1184-F1207 HydrophobicContact CB-CD1 3.38Å; A1184-F1207 HydrophobicContact CB-CD2 3.74Å; A1184-F1207 HydrophobicContact CB-CE1 3.64Å; A1184-F1207 HydrophobicContact CB-CE2 3.97Å; A1184-F1207 HydrophobicContact CB-CG 3.45Å; A1184-F1207 VanDerWaalsContact CB-CG 3.45Å; A1184-F1207 HydrophobicContact CB-CZ 3.94Å; C1203-F1207 HydrophobicContact CB-CB 3.97Å; C1203-F1207 WeakPolarHBondContact CB-O 3Å; R1204-F1207 PolarHBondContact O-N 3.03Å; R1204-F1207 VanDerWaalsContact O-N 3.15Å; F1207-C1231 HydrophobicContact CB-CB 4.17Å; F1207-Q1232 CarbonylContact C-O 3.53Å; F1207-Q1232 WeakPolarHBondContact CA-O 3.44Å; F1207-Q1232 WeakPolarHBondContact CB-O 3.46Å; F1207-A1233 HydrophobicContact CD1-CB 4.02Å; F1207-A1233 HydrophobicContact CE1-CB 3.86Å; F1207-Y1255 HydrophobicContact CD2-CD1 4.35Å; F1207-Y1255 AromaticContact CE2-CD1 3.85Å; F1207-Y1255 HydrophobicContact CE2-CD1 3.85Å; F1207-Y1255 HydrophobicContact CE2-CE1 4.19Å; F1207-Y1255 HydrophobicContact CZ-CD1 4.39Å |
| 1208 | T | 81.6 | Confident | 83.4 | Confident | 72 Ų | 72 | 62 Ų | 62 | 44% | 0.442 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 141 | 177.6 | 46.6 | 0 | 0 | 0 | 0 | 111.6 | C1231 Q1232 V1234 | T1208-C1231 CarbonylContact O-C 3.58Å; T1208-C1231 WeakPolarHBondContact O-CA 3.37Å; T1208-Q1232 PolarHBondContact N-O 2.83Å; T1208-Q1232 PolarHBondContact O-N 2.86Å; T1208-V1234 HydrophobicContact CG2-CG2 4.02Å |
| 1209 | L | 82.3 | Confident | 83.1 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 29% | 0.288 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126 | 177.2 | -170.9 | 71.2 | 0 | 0 | 0 | 110.5 | L1201 C1203 P1229 Q1230 | L1201-L1209 HydrophobicContact CB-CD2 4.34Å; C1203-L1209 VanDerWaalsContact SG-CA 3.51Å; C1203-L1209 VanDerWaalsContact SG-CB 3.59Å; C1203-L1209 PolarHBondContact SG-N 2.82Å; L1209-P1229 HydrophobicContact CD1-CB 4.13Å; L1209-Q1230 WeakPolarHBondContact CA-O 3.37Å |
| 1210 | I | 80.4 | Confident | 83 | Confident | 91 Ų | 91 | 71.1 Ų | 71.1 | 47% | 0.467 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 109.1 | 175 | -57.8 | -179.6 | 0 | 0 | 0 | 107.7 | P1229 Q1230 Q1232 | I1210-P1229 CarbonylContact O-C 3.55Å; I1210-P1229 WeakPolarHBondContact O-CA 3.48Å; I1210-Q1230 PolarHBondContact N-O 2.96Å; I1210-Q1230 PolarHBondContact O-N 2.78Å; I1210-Q1232 HydrophobicContact CD1-CB 3.87Å; I1210-Q1232 VanDerWaalsContact CD1-OE1 3.25Å |
| 1211 | G | 79.2 | Confident | 82.5 | Confident | 39 Ų | 39 | 69.5 Ų | 69.5 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 119.3 | -177.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1212 | A | 81.3 | Confident | 82.4 | Confident | 36 Ų | 36 | 74.5 Ų | 74.5 | 30% | 0.298 | 39% | 0.389 | S | S | . | . | trans | -63.9 | 138.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1214 L1215 P1229 | A1212-R1214 PolarHBondContact O-N 3.39Å; A1212-L1215 HydrophobicContact CB-CD2 4.46Å; A1212-P1229 VanDerWaalsContact O-CG 3.25Å; A1212-P1229 WeakPolarHBondContact O-CG 3.45Å | ||
| 1213 | S | 84.4 | Confident | 82.5 | Confident | 78 Ų | 78 | 67.9 Ų | 67.9 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -76.6 | -5.1 | 173 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | L1201 | L1201-S1213 PolarHBondContact N-O 2.9Š|
| 1214 | R | 88.9 | Confident | 82.5 | Confident | 150 Ų | 150 | 69.4 Ų | 69.4 | 57% | 0.566 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 128.2 | -179.7 | 176 | 169.3 | -75.1 | 175.9 | -4.6 | 110.3 | V1198 V1199 D1200 A1212 | V1198-R1214 HydrophobicContact CG1-CG 3.64Å; V1199-R1214 WeakPolarHBondContact O-CA 3.4Å; D1200-R1214 VanDerWaalsContact CG-NH2 3.33Å; D1200-R1214 IonicContact OD1-CZ 2.8Å; D1200-R1214 IonicContact OD1-NE 2.71Å; D1200-R1214 PolarHBondContact OD1-NE 3.16Å; D1200-R1214 IonicContact OD1-NH2 2.62Å; D1200-R1214 PolarHBondContact OD1-NH2 2.99Å; D1200-R1214 IonicContact OD2-NH2 3.36Å; D1200-R1214 PolarHBondContact OD2-NH2 3.3Å; A1212-R1214 PolarHBondContact O-N 3.39Å |
| 1215 | L | 87.3 | Confident | 82.5 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 142.9 | 174.5 | -60.9 | 177.4 | 0 | 0 | 0 | 110.4 | L1179 V1198 V1199 L1201 A1212 W1223 Q1225 L1228 P1229 | L1179-L1215 HydrophobicContact CD1-CD1 3.95Å; L1179-L1215 HydrophobicContact CD2-CD1 4.03Å; V1198-L1215 CarbonylContact C-O 3.47Å; V1198-L1215 VanDerWaalsContact CA-O 3.31Å; V1198-L1215 WeakPolarHBondContact CA-O 3.39Å; V1199-L1215 PolarHBondContact N-O 2.98Å; V1199-L1215 PolarHBondContact O-N 2.88Å; L1201-L1215 HydrophobicContact CD1-CD1 3.84Å; L1201-L1215 HydrophobicContact CD1-CG 4.08Å; A1212-L1215 HydrophobicContact CB-CD2 4.46Å; L1215-W1223 HydrophobicContact CB-CB 4.44Å; L1215-W1223 HydrophobicContact CB-CD2 4.29Å; L1215-W1223 HydrophobicContact CB-CE3 3.7Å; L1215-W1223 HydrophobicContact CB-CZ3 4.4Å; L1215-W1223 HydrophobicContact CD1-CB 4.14Å; L1215-W1223 HydrophobicContact CD1-CD2 4.39Å; L1215-W1223 HydrophobicContact CD1-CG 4.2Å; L1215-Q1225 HydrophobicContact CD2-CB 3.83Å; L1215-L1228 HydrophobicContact CD1-CD2 4.03Å; L1215-P1229 HydrophobicContact CD1-CG 4.46Å; L1215-P1229 HydrophobicContact CD2-CG 4.12Å |
| 1216 | R | 88.6 | Confident | 82.2 | Confident | 148 Ų | 148 | 66.6 Ų | 66.6 | 56% | 0.558 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 141.3 | 168.2 | 172.6 | 178.3 | -92.4 | -172.4 | -4.9 | 109.6 | S1197 V1198 W1223 S1224 | S1197-R1216 CarbonylContact O-C 3.57Å; S1197-R1216 WeakPolarHBondContact O-CA 3.41Å; V1198-R1216 HydrophobicContact CG2-CB 4.42Å; R1216-W1223 CarbonylContact O-C 3.53Å; R1216-S1224 PolarHBondContact N-OG 2.03Å; R1216-S1224 WeakPolarHBondContact O-CB 3.34Å; R1216-S1224 PolarHBondContact O-N 2.92Å |
| 1217 | C | 85.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -78.2 | 118.7 | 170.8 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | C1176 Y1194 G1196 S1197 W1223 | C1176-C1217 HydrophobicContact CB-CB 3.86Å; C1176-C1217 WeakPolarHBondContact CB-SG 3.48Å; C1176-C1217 PolarHBondContact N-SG 2.95Å; C1176-C1217 VanDerWaalsContact N-SG 3.38Å; C1176-C1217 WeakPolarHBondContact SG-CA 3.48Å; C1176-C1217 WeakPolarHBondContact SG-CB 3.36Å; C1176-C1217 CovalentContact SG-SG 2.03Å; C1176-C1217 PolarHBondContact SG-SG 3.24Å; Y1194-C1217 WeakPolarHBondContact O-CB 3.39Å; G1196-C1217 PolarHBondContact N-O 3.48Å; S1197-C1217 PolarHBondContact O-N 2.73Å; C1217-W1223 HydrophobicContact CB-CE3 4.21Å; C1217-W1223 HydrophobicContact CB-CH2 4.29Å; C1217-W1223 HydrophobicContact CB-CZ3 3.87Å |
| 1218 | L | 85 | Confident | 81.8 | Confident | 70 Ų | 70 | 71.7 Ų | 71.7 | 37% | 0.366 | 40% | 0.395 | S | S | . | . | trans | -85.2 | 165.3 | -178.2 | -59.6 | -178.8 | 0 | 0 | 0 | 112 | S1220 G1221 Q1222 | L1218-S1220 PolarHBondContact O-N 2.7Å; L1218-G1221 PolarHBondContact O-N 3.11Å; L1218-Q1222 VanDerWaalsContact CB-O 3.28Å; L1218-Q1222 WeakPolarHBondContact CB-O 3.47Å; L1218-Q1222 WeakPolarHBondContact CG-O 3.38Å; L1218-Q1222 PolarHBondContact N-O 3.03Å | ||
| 1219 | E | 77.5 | Confident | 81.9 | Confident | 143 Ų | 143 | 68.6 Ų | 68.6 | 67% | 0.668 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23.5 | 176.4 | -163.7 | 169.3 | -167.1 | 0 | 0 | 112.5 | I1174 F1195 G1221 | I1174-E1219 HydrophobicContact CD1-CG 3.9Å; I1174-E1219 WeakPolarHBondContact CD1-O 3.13Å; I1174-E1219 WeakPolarHBondContact CG2-O 3.15Å; F1195-E1219 HydrophobicContact CD2-CB 4.14Å; F1195-E1219 HydrophobicContact CE2-CB 3.69Å; F1195-E1219 HydrophobicContact CE2-CG 4.31Å; F1195-E1219 HydrophobicContact CZ-CB 4.31Å; E1219-G1221 PolarHBondContact O-N 2.03Å |
| 1220 | S | 79.9 | Confident | 81.7 | Confident | 79 Ų | 79 | 72.5 Ų | 72.5 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 0 | 171.6 | 58.6 | 0 | 0 | 0 | 0 | 114.8 | L1218 Q1222 | L1218-S1220 PolarHBondContact O-N 2.7Å; S1220-Q1222 PolarHBondContact O-N 3.38Å |
| 1221 | G | 74.9 | Confident | 81.9 | Confident | 18 Ų | 18 | 69.3 Ų | 69.3 | 19% | 0.186 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 68.8 | 15.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1176 P1177 L1218 E1219 | C1176-G1221 WeakPolarHBondContact CA-O 3.41Å; P1177-G1221 WeakPolarHBondContact CD-O 3.27Å; L1218-G1221 PolarHBondContact O-N 3.11Å; E1219-G1221 PolarHBondContact O-N 2.03Å |
| 1222 | Q | 82.6 | Confident | 82 | Confident | 111 Ų | 111 | 72.1 Ų | 72.1 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -110.7 | 153.7 | 176.9 | -61.9 | -173.9 | -1.2 | 0 | 0 | 111.8 | C1176 L1218 S1220 | C1176-Q1222 PolarHBondContact SG-O 2.86Å; L1218-Q1222 VanDerWaalsContact CB-O 3.28Å; L1218-Q1222 WeakPolarHBondContact CB-O 3.47Å; L1218-Q1222 WeakPolarHBondContact CG-O 3.38Å; L1218-Q1222 PolarHBondContact N-O 3.03Å; S1220-Q1222 PolarHBondContact O-N 3.38Å |
| 1223 | W | 86.9 | Confident | 81.8 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -72.4 | 148.8 | 169.9 | -67.1 | 107 | 0 | 0 | 0 | 110.9 | C1176 P1177 L1179 N1193 V1199 L1215 R1216 C1217 Q1225 L1228 | C1176-W1223 HydrophobicContact CB-CD2 3.92Å; C1176-W1223 HydrophobicContact CB-CE3 4.45Å; C1176-W1223 HydrophobicContact CB-CG 4.31Å; C1176-W1223 HydrophobicContact CB-CH2 4.29Å; C1176-W1223 HydrophobicContact CB-CZ2 3.74Å; P1177-W1223 PolarHBondContact O-NE1 3.12Å; L1179-W1223 HydrophobicContact CD1-CD2 4.23Å; L1179-W1223 HydrophobicContact CD1-CH2 4.32Å; L1179-W1223 HydrophobicContact CD1-CZ2 3.86Å; L1179-W1223 HydrophobicContact CD2-CG 4.35Å; L1179-W1223 HydrophobicContact CG-CZ2 4.02Å; N1193-W1223 HydrophobicContact CB-CZ2 4.44Å; V1199-W1223 HydrophobicContact CB-CH2 4.45Å; V1199-W1223 HydrophobicContact CB-CZ3 4.36Å; V1199-W1223 HydrophobicContact CG2-CH2 3.38Å; V1199-W1223 HydrophobicContact CG2-CZ2 4.21Å; V1199-W1223 HydrophobicContact CG2-CZ3 3.67Å; L1215-W1223 HydrophobicContact CB-CB 4.44Å; L1215-W1223 HydrophobicContact CB-CD2 4.29Å; L1215-W1223 HydrophobicContact CB-CE3 3.7Å; L1215-W1223 HydrophobicContact CB-CZ3 4.4Å; L1215-W1223 HydrophobicContact CD1-CB 4.14Å; L1215-W1223 HydrophobicContact CD1-CD2 4.39Å; L1215-W1223 HydrophobicContact CD1-CG 4.2Å; R1216-W1223 CarbonylContact O-C 3.53Å; C1217-W1223 HydrophobicContact CB-CE3 4.21Å; C1217-W1223 HydrophobicContact CB-CH2 4.29Å; C1217-W1223 HydrophobicContact CB-CZ3 3.87Å; W1223-Q1225 PolarHBondContact O-N 2.04Å; W1223-L1228 HydrophobicContact CB-CD2 3.93Å; W1223-L1228 HydrophobicContact CG-CD2 4.11Å |
| 1224 | S | 85.7 | Confident | 81.8 | Confident | 59 Ų | 59 | 68.8 Ų | 68.8 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -62.3 | 1.4 | -177.1 | 63.6 | 0 | 0 | 0 | 0 | 116.6 | R1216 | R1216-S1224 PolarHBondContact N-OG 2.03Å; R1216-S1224 WeakPolarHBondContact O-CB 3.34Å; R1216-S1224 PolarHBondContact O-N 2.92Å |
| 1225 | Q | 81.5 | Confident | 81.6 | Confident | 66 Ų | 66 | 65.9 Ų | 65.9 | 31% | 0.308 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -144 | 129.5 | 166.8 | -172.7 | -174.1 | -17.4 | 0 | 0 | 109.7 | L1215 W1223 | L1215-Q1225 HydrophobicContact CD2-CB 3.83Å; W1223-Q1225 PolarHBondContact O-N 2.04Å |
| 1226 | V | 73.5 | Confident | 81.6 | Confident | 102 Ų | 102 | 66.2 Ų | 66.2 | 62% | 0.618 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -131.3 | 132.1 | 167.5 | -178.7 | 0 | 0 | 0 | 0 | 107 | ||
| 1227 | P | 75.8 | Confident | 81.6 | Confident | 102 Ų | 102 | 63.3 Ų | 63.3 | 66% | 0.662 | 35% | 0.353 | S | S | * | . | S | Bend | cis | -61.6 | 151.5 | -2.9 | 28.6 | -36.4 | 0 | 0 | 0 | 112.9 | ||
| 1228 | L | 76.3 | Confident | 81.6 | Confident | 75 Ų | 75 | 67.9 Ų | 67.9 | 39% | 0.393 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 145.8 | -179.9 | -67.7 | 172.3 | 0 | 0 | 0 | 111 | L1179 L1215 W1223 | L1179-L1228 HydrophobicContact CD2-CD1 3.89Å; L1179-L1228 HydrophobicContact CD2-CD2 3.78Å; L1179-L1228 HydrophobicContact CD2-CG 4.41Å; L1215-L1228 HydrophobicContact CD1-CD2 4.03Å; W1223-L1228 HydrophobicContact CB-CD2 3.93Å; W1223-L1228 HydrophobicContact CG-CD2 4.11Å |
| 1229 | P | 82 | Confident | 81.6 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 5% | 0.045 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 148.4 | 174.5 | -24.4 | 35.2 | 0 | 0 | 0 | 112.6 | M1185 L1201 L1209 I1210 A1212 L1215 | M1185-P1229 WeakPolarHBondContact CE-O 3.49Å; L1201-P1229 HydrophobicContact CD1-CB 3.91Å; L1201-P1229 HydrophobicContact CD1-CG 3.84Å; L1209-P1229 HydrophobicContact CD1-CB 4.13Å; I1210-P1229 CarbonylContact O-C 3.55Å; I1210-P1229 WeakPolarHBondContact O-CA 3.48Å; A1212-P1229 VanDerWaalsContact O-CG 3.25Å; A1212-P1229 WeakPolarHBondContact O-CG 3.45Å; L1215-P1229 HydrophobicContact CD1-CG 4.46Å; L1215-P1229 HydrophobicContact CD2-CG 4.12Å |
| 1230 | Q | 79.5 | Confident | 81.4 | Confident | 137 Ų | 137 | 70.2 Ų | 70.2 | 64% | 0.64 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 152.6 | -176.5 | -62.7 | -172.7 | -9.1 | 0 | 0 | 111.9 | L1209 I1210 | L1209-Q1230 WeakPolarHBondContact CA-O 3.37Å; I1210-Q1230 PolarHBondContact N-O 2.96Å; I1210-Q1230 PolarHBondContact O-N 2.78Å |
| 1231 | C | 84.4 | Confident | 80.6 | Confident | 24 Ų | 24 | 69.7 Ų | 69.7 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 101.1 | 172.1 | -69.9 | 0 | 0 | 0 | 0 | 109.5 | A1184 C1203 F1207 T1208 | A1184-C1231 HydrophobicContact CB-CB 3.7Å; C1203-C1231 WeakPolarHBondContact CA-SG 3.07Å; C1203-C1231 HydrophobicContact CB-CB 3.89Å; C1203-C1231 WeakPolarHBondContact CB-SG 3.2Å; C1203-C1231 VanDerWaalsContact SG-CA 3.52Å; C1203-C1231 WeakPolarHBondContact SG-CB 3.45Å; C1203-C1231 CovalentContact SG-SG 2.04Å; C1203-C1231 PolarHBondContact SG-SG 2.88Å; F1207-C1231 HydrophobicContact CB-CB 4.17Å; T1208-C1231 CarbonylContact O-C 3.58Å; T1208-C1231 WeakPolarHBondContact O-CA 3.37Å |
| 1232 | Q | 80 | Confident | 80.2 | Confident | 98 Ų | 98 | 73.4 Ų | 73.4 | 46% | 0.458 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 145.9 | 176.2 | -175.2 | 173.9 | -12.7 | 0 | 0 | 110.2 | F1207 T1208 I1210 H1235 | F1207-Q1232 CarbonylContact C-O 3.53Å; F1207-Q1232 WeakPolarHBondContact CA-O 3.44Å; F1207-Q1232 WeakPolarHBondContact CB-O 3.46Å; T1208-Q1232 PolarHBondContact N-O 2.83Å; T1208-Q1232 PolarHBondContact O-N 2.86Å; I1210-Q1232 HydrophobicContact CD1-CB 3.87Å; I1210-Q1232 VanDerWaalsContact CD1-OE1 3.25Å; Q1232-H1235 PolarHBondContact NE2-NE2 3.14Å |
| 1233 | A | 79 | Confident | 79.7 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 12% | 0.116 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 144.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1207 H1235 E1254 | F1207-A1233 HydrophobicContact CD1-CB 4.02Å; F1207-A1233 HydrophobicContact CE1-CB 3.86Å; A1233-H1235 PolarHBondContact O-CD2 3.17Å; A1233-H1235 VanDerWaalsContact O-CD2 3.28Å; A1233-E1254 HydrophobicContact CB-CB 3.97Å; A1233-E1254 HydrophobicContact CB-CG 4.07Å |
| 1234 | V | 82.5 | Confident | 79.3 | Confident | 29 Ų | 29 | 74.9 Ų | 74.9 | 18% | 0.176 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 136 | 168.1 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | G1206 T1208 E1254 Y1255 G1281 | G1206-V1234 WeakPolarHBondContact O-CG2 3.28Å; G1206-V1234 PolarHBondContact O-N 2.88Å; T1208-V1234 HydrophobicContact CG2-CG2 4.02Å; V1234-E1254 CarbonylContact O-C 3.59Å; V1234-Y1255 PolarHBondContact O-N 2.75Å; V1234-G1281 VanDerWaalsContact CG1-CA 3.43Å |
| 1235 | H | 85.3 | Confident | 79.1 | Confident | 90 Ų | 90 | 72.3 Ų | 72.3 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | B | Isolated β-bridge | trans | -105 | 145.4 | 179.1 | -65.3 | -97.9 | 0 | 0 | 0 | 111.6 | Q1232 A1233 Y1253 E1254 | Q1232-H1235 PolarHBondContact NE2-NE2 3.14Å; A1233-H1235 PolarHBondContact O-CD2 3.17Å; A1233-H1235 VanDerWaalsContact O-CD2 3.28Å; H1235-Y1253 CarbonylContact C-O 3.44Å; H1235-Y1253 VanDerWaalsContact CA-O 3.28Å; H1235-Y1253 WeakPolarHBondContact CA-O 3.48Å; H1235-E1254 VanDerWaalsContact CE1-CG 3.41Å; H1235-E1254 WeakPolarHBondContact CE1-CG 3.22Å; H1235-E1254 IonicContact CE1-OE1 3.91Å |
| 1236 | C | 88.7 | Confident | 79.3 | Confident | 7 Ų | 7 | 69.8 Ų | 69.8 | 5% | 0.047 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -97.9 | 149.9 | 172.4 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | Y1253 C1277 Q1282 W1283 | C1236-Y1253 PolarHBondContact N-O 2.91Å; C1236-C1277 HydrophobicContact CB-CB 3.86Å; C1236-C1277 WeakPolarHBondContact CB-SG 3.22Å; C1236-C1277 WeakPolarHBondContact SG-CA 3.47Å; C1236-C1277 WeakPolarHBondContact SG-CB 3.49Å; C1236-C1277 CovalentContact SG-SG 2.03Å; C1236-C1277 PolarHBondContact SG-SG 3.02Å; C1236-Q1282 VanDerWaalsContact SG-C 3.53Å; C1236-Q1282 PolarHBondContact SG-O 2.88Å; C1236-Q1282 VanDerWaalsContact SG-O 3.39Å; C1236-W1283 HydrophobicContact CB-CD2 4.21Å; C1236-W1283 HydrophobicContact CB-CG 4.47Å; C1236-W1283 HydrophobicContact CB-CZ2 4.08Å |
| 1237 | S | 87.3 | Confident | 79.7 | Confident | 88 Ų | 88 | 68.8 Ų | 68.8 | 62% | 0.615 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 140.6 | -179.9 | -62.7 | 0 | 0 | 0 | 0 | 113.4 | I1239 W1283 | S1237-I1239 PolarHBondContact O-N 2.93Å; S1237-W1283 PolarHBondContact O-NE1 2.97Å |
| 1238 | P | 85.8 | Confident | 80.2 | Confident | 96 Ų | 96 | 66.7 Ų | 66.7 | 62% | 0.623 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -59 | 131.3 | 175.3 | -26.3 | 35.4 | 0 | 0 | 0 | 113.5 | R1240 Y1253 | P1238-R1240 PolarHBondContact O-N 3.05Å; P1238-Y1253 HydrophobicContact CB-CE1 4.32Å |
| 1239 | I | 85.2 | Confident | 80.6 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 14% | 0.138 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 120.3 | -176.3 | -60 | 167.5 | 0 | 0 | 0 | 109.9 | S1237 V1248 V1250 A1259 F1261 I1275 W1283 P1287 | S1237-I1239 PolarHBondContact O-N 2.93Å; I1239-V1248 HydrophobicContact CD1-CG2 4.27Å; I1239-V1250 HydrophobicContact CD1-CG2 4.25Å; I1239-A1259 HydrophobicContact CD1-CB 3.29Å; I1239-F1261 HydrophobicContact CD1-CZ 4.26Å; I1239-F1261 HydrophobicContact CG2-CE1 4.31Å; I1239-F1261 HydrophobicContact CG2-CZ 4.44Å; I1239-I1275 HydrophobicContact CD1-CD1 4.04Å; I1239-W1283 HydrophobicContact CD1-CD2 4.34Å; I1239-W1283 HydrophobicContact CD1-CH2 4.21Å; I1239-W1283 HydrophobicContact CD1-CZ2 3.76Å; I1239-W1283 HydrophobicContact CG1-CZ2 3.98Å; I1239-P1287 HydrophobicContact CG2-CG 3.91Å |
| 1240 | R | 72.9 | Confident | 80.7 | Confident | 234 Ų | 234 | 69.5 Ų | 69.5 | 88% | 0.883 | 38% | 0.379 | S | S | * | . | trans | -99.5 | 113.2 | 171.8 | -62 | -175.9 | -177.5 | -169.9 | 1.2 | 109.3 | P1238 S1242 | P1238-R1240 PolarHBondContact O-N 3.05Å; R1240-S1242 PolarHBondContact O-N 3.06Å | ||
| 1241 | S | 62.3 | Low | 80.8 | Confident | 69 Ų | 69 | 67.4 Ų | 67.4 | 48% | 0.483 | 38% | 0.38 | S | S | . | . | trans | -72.3 | 119.5 | 179.5 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1242 | S | 66.5 | Low | 80.8 | Confident | 96 Ų | 96 | 68.1 Ų | 68.1 | 67% | 0.671 | 39% | 0.385 | S | S | * | . | trans | -73.5 | -36.2 | 174.4 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | R1240 | R1240-S1242 PolarHBondContact O-N 3.06Š| ||
| 1243 | H | 73.5 | Confident | 81.1 | Confident | 50 Ų | 50 | 68 Ų | 68 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -100.7 | 124.8 | -170.7 | -167.5 | -93.3 | 0 | 0 | 0 | 112.7 | A1245 L1246 C1290 | H1243-A1245 PolarHBondContact ND1-N 2.87Å; H1243-A1245 PolarHBondContact O-N 2.93Å; H1243-A1245 VanDerWaalsContact O-N 3.09Å; H1243-L1246 HydrophobicContact CB-CB 4.32Å; H1243-L1246 VanDerWaalsContact O-CB 3.26Å; H1243-L1246 WeakPolarHBondContact O-CB 3.47Å; H1243-L1246 PolarHBondContact O-N 3.44Å; H1243-C1290 PolarHBondContact CE1-O 2.82Å; H1243-C1290 WeakPolarHBondContact ND1-CB 3.5Å |
| 1244 | P | 78.4 | Confident | 81.4 | Confident | 103 Ų | 103 | 71.7 Ų | 71.7 | 67% | 0.669 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -8.7 | -170.9 | 28.6 | -36.3 | 0 | 0 | 0 | 114.9 | K1264 | P1244-K1264 PolarHBondContact O-NZ 2.98Š|
| 1245 | A | 80.8 | Confident | 81.5 | Confident | 5 Ų | 5 | 73.5 Ų | 73.5 | 4% | 0.041 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -6.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | H1243 C1263 K1264 F1267 C1290 | H1243-A1245 PolarHBondContact ND1-N 2.87Å; H1243-A1245 PolarHBondContact O-N 2.93Å; H1243-A1245 VanDerWaalsContact O-N 3.09Å; A1245-C1263 CarbonylContact O-C 3.55Å; A1245-C1263 WeakPolarHBondContact O-CA 3.42Å; A1245-K1264 HydrophobicContact CB-CB 4.37Å; A1245-K1264 PolarHBondContact O-N 3.23Å; A1245-F1267 HydrophobicContact CB-CD1 4.2Å; A1245-F1267 HydrophobicContact CB-CD2 3.85Å; A1245-F1267 HydrophobicContact CB-CE1 4.24Å; A1245-F1267 HydrophobicContact CB-CE2 3.91Å; A1245-F1267 HydrophobicContact CB-CG 4.01Å; A1245-F1267 HydrophobicContact CB-CZ 4.11Å; A1245-C1290 HydrophobicContact CB-CB 4.13Å |
| 1246 | L | 84.9 | Confident | 81.2 | Confident | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.068 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 139.8 | 179.1 | -169.4 | 69.4 | 0 | 0 | 0 | 110.7 | H1243 F1261 P1288 | H1243-L1246 HydrophobicContact CB-CB 4.32Å; H1243-L1246 VanDerWaalsContact O-CB 3.26Å; H1243-L1246 WeakPolarHBondContact O-CB 3.47Å; H1243-L1246 PolarHBondContact O-N 3.44Å; L1246-F1261 HydrophobicContact CD1-CB 4.14Å; L1246-F1261 HydrophobicContact CD1-CD1 4.04Å; L1246-F1261 HydrophobicContact CD1-CG 4.45Å; L1246-F1261 HydrophobicContact CD2-CD1 4Å; L1246-F1261 HydrophobicContact CD2-CE1 4.23Å; L1246-F1261 HydrophobicContact CG-CD1 4.16Å; L1246-P1288 HydrophobicContact CD1-CG 4.17Å; L1246-P1288 WeakPolarHBondContact CD2-O 3.41Å |
| 1247 | M | 83.1 | Confident | 80.9 | Confident | 81 Ų | 81 | 72.8 Ų | 72.8 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 135 | 173.5 | -52.8 | -177.7 | -61.2 | 0 | 0 | 107.3 | F1261 Q1262 K1264 | M1247-F1261 WeakPolarHBondContact O-CA 3.49Å; M1247-Q1262 WeakPolarHBondContact CA-O 3.47Å; M1247-Q1262 WeakPolarHBondContact CB-O 3.41Å; M1247-Q1262 HydrophobicContact CE-CB 3.98Å; M1247-Q1262 PolarHBondContact N-O 2.97Å; M1247-Q1262 PolarHBondContact O-N 3.18Å; M1247-K1264 HydrophobicContact CG-CG 4.25Å; M1247-K1264 HydrophobicContact SD-CG 3.93Å |
| 1248 | V | 86.7 | Confident | 80.9 | Confident | 57 Ų | 57 | 70.8 Ų | 70.8 | 35% | 0.345 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.1 | -178.2 | 64.3 | 0 | 0 | 0 | 0 | 110.2 | I1239 V1250 A1259 I1260 F1261 | I1239-V1248 HydrophobicContact CD1-CG2 4.27Å; V1248-V1250 HydrophobicContact CG2-CG2 3.87Å; V1248-A1259 HydrophobicContact CG2-CB 4.14Å; V1248-I1260 WeakPolarHBondContact CA-O 3.49Å; V1248-F1261 HydrophobicContact CB-CD1 3.93Å; V1248-F1261 HydrophobicContact CB-CE1 3.9Å; V1248-F1261 HydrophobicContact CG2-CD1 3.81Å; V1248-F1261 HydrophobicContact CG2-CE1 3.49Å; V1248-F1261 VanDerWaalsContact CG2-CE1 3.49Å; V1248-F1261 HydrophobicContact CG2-CZ 4.19Å |
| 1249 | N | 84.4 | Confident | 80.9 | Confident | 108 Ų | 108 | 66.2 Ų | 66.2 | 58% | 0.578 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 110.4 | 175.1 | -175.7 | 24.7 | 0 | 0 | 0 | 108.6 | I1260 | N1249-I1260 PolarHBondContact N-O 3.14Å; N1249-I1260 PolarHBondContact O-N 3.26Å |
| 1250 | V | 84.6 | Confident | 81.1 | Confident | 34 Ų | 34 | 68.7 Ų | 68.7 | 21% | 0.206 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.8 | -173.9 | -172.1 | 0 | 0 | 0 | 0 | 109.7 | I1239 V1248 S1252 Y1253 A1259 W1283 | I1239-V1250 HydrophobicContact CD1-CG2 4.25Å; V1248-V1250 HydrophobicContact CG2-CG2 3.87Å; V1250-S1252 VanDerWaalsContact CG1-O 3.26Å; V1250-S1252 WeakPolarHBondContact CG1-O 3.5Å; V1250-Y1253 HydrophobicContact CG1-CD1 4.24Å; V1250-Y1253 HydrophobicContact CG1-CD2 4.48Å; V1250-Y1253 HydrophobicContact CG1-CE1 3.95Å; V1250-Y1253 HydrophobicContact CG1-CE2 4.23Å; V1250-Y1253 HydrophobicContact CG1-CG 4.48Å; V1250-Y1253 HydrophobicContact CG2-CE1 4.36Å; V1250-A1259 HydrophobicContact CG1-CB 4.39Å; V1250-A1259 HydrophobicContact CG2-CB 3.92Å; V1250-W1283 HydrophobicContact CG1-CH2 4.07Å |
| 1251 | S | 80.2 | Confident | 81.8 | Confident | 92 Ų | 92 | 57.9 Ų | 57.9 | 64% | 0.643 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -80.4 | -36 | 179.6 | 63 | 0 | 0 | 0 | 0 | 113.3 | I1258 | S1251-I1258 PolarHBondContact N-O 3.05Å; S1251-I1258 PolarHBondContact OG-N 3.21Å; S1251-I1258 PolarHBondContact OG-O 3.31Å |
| 1252 | S | 84.4 | Confident | 82.9 | Confident | 39 Ų | 39 | 60 Ų | 60 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | trans | -159.5 | 159.8 | 167.1 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | V1250 E1254 G1257 | V1250-S1252 VanDerWaalsContact CG1-O 3.26Å; V1250-S1252 WeakPolarHBondContact CG1-O 3.5Å; S1252-E1254 WeakPolarHBondContact OG-CB 3.1Å; S1252-E1254 PolarHBondContact OG-N 3Å; S1252-E1254 VanDerWaalsContact OG-N 3.07Å; S1252-G1257 WeakPolarHBondContact O-CA 3.41Å | ||
| 1253 | Y | 87.6 | Confident | 83.8 | Confident | 95 Ų | 95 | 56.5 Ų | 56.5 | 37% | 0.373 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -95.6 | -3.8 | 167.8 | -67 | -78.3 | 0 | 0 | 0 | 112.6 | H1235 C1236 P1238 V1250 W1283 | H1235-Y1253 CarbonylContact C-O 3.44Å; H1235-Y1253 VanDerWaalsContact CA-O 3.28Å; H1235-Y1253 WeakPolarHBondContact CA-O 3.48Å; C1236-Y1253 PolarHBondContact N-O 2.91Å; P1238-Y1253 HydrophobicContact CB-CE1 4.32Å; V1250-Y1253 HydrophobicContact CG1-CD1 4.24Å; V1250-Y1253 HydrophobicContact CG1-CD2 4.48Å; V1250-Y1253 HydrophobicContact CG1-CE1 3.95Å; V1250-Y1253 HydrophobicContact CG1-CE2 4.23Å; V1250-Y1253 HydrophobicContact CG1-CG 4.48Å; V1250-Y1253 HydrophobicContact CG2-CE1 4.36Å; Y1253-W1283 AromaticContact CD1-CZ2 3.92Å; Y1253-W1283 HydrophobicContact CD1-CZ2 3.92Å; Y1253-W1283 HydrophobicContact CE1-CZ2 4.24Å |
| 1254 | E | 85.4 | Confident | 84.1 | Confident | 93 Ų | 93 | 59.1 Ų | 59.1 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -77.2 | 165.2 | 174.2 | -66 | 169.5 | 174.3 | 0 | 0 | 111.6 | A1233 V1234 H1235 S1252 N1256 G1257 C1277 | A1233-E1254 HydrophobicContact CB-CB 3.97Å; A1233-E1254 HydrophobicContact CB-CG 4.07Å; V1234-E1254 CarbonylContact O-C 3.59Å; H1235-E1254 VanDerWaalsContact CE1-CG 3.41Å; H1235-E1254 WeakPolarHBondContact CE1-CG 3.22Å; H1235-E1254 IonicContact CE1-OE1 3.91Å; S1252-E1254 WeakPolarHBondContact OG-CB 3.1Å; S1252-E1254 PolarHBondContact OG-N 3Å; S1252-E1254 VanDerWaalsContact OG-N 3.07Å; E1254-N1256 PolarHBondContact O-N 3.23Å; E1254-G1257 WeakPolarHBondContact O-CA 3.43Å; E1254-G1257 PolarHBondContact O-N 2.6Å; E1254-C1277 VanDerWaalsContact O-CB 3.31Å; E1254-C1277 WeakPolarHBondContact O-CB 2.99Å |
| 1255 | Y | 82.9 | Confident | 83.9 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 26% | 0.263 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | 131 | 171.4 | 172.4 | -127.8 | 0 | 0 | 0 | 112.7 | P1205 F1207 V1234 G1257 C1277 | P1205-Y1255 WeakPolarHBondContact O-CE1 3.38Å; F1207-Y1255 HydrophobicContact CD2-CD1 4.35Å; F1207-Y1255 AromaticContact CE2-CD1 3.85Å; F1207-Y1255 HydrophobicContact CE2-CD1 3.85Å; F1207-Y1255 HydrophobicContact CE2-CE1 4.19Å; F1207-Y1255 HydrophobicContact CZ-CD1 4.39Å; V1234-Y1255 PolarHBondContact O-N 2.75Å; Y1255-G1257 PolarHBondContact O-N 3.1Å; Y1255-C1277 WeakPolarHBondContact CD2-O 3.36Å |
| 1256 | N | 79.5 | Confident | 83.4 | Confident | 78 Ų | 78 | 60 Ų | 60 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 6 | -169.1 | -57.1 | -48.4 | 0 | 0 | 0 | 116.6 | E1254 Q1276 C1277 | E1254-N1256 PolarHBondContact O-N 3.23Å; N1256-Q1276 PolarHBondContact OD1-NE2 3.17Å; N1256-C1277 PolarHBondContact N-O 2.97Å |
| 1257 | G | 83.5 | Confident | 83.3 | Confident | 4 Ų | 4 | 63 Ų | 63 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | trans | -60.9 | 141.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1252 E1254 Y1255 Q1276 C1277 | S1252-G1257 WeakPolarHBondContact O-CA 3.41Å; E1254-G1257 WeakPolarHBondContact O-CA 3.43Å; E1254-G1257 PolarHBondContact O-N 2.6Å; Y1255-G1257 PolarHBondContact O-N 3.1Å; G1257-Q1276 CarbonylContact O-C 3.55Å; G1257-Q1276 WeakPolarHBondContact O-CA 3.36Å; G1257-C1277 PolarHBondContact O-N 3.34Å | ||
| 1258 | I | 87.6 | Confident | 83.1 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 130.8 | -176 | -55.6 | 175.2 | 0 | 0 | 0 | 109 | S1251 I1260 Y1274 I1275 | S1251-I1258 PolarHBondContact N-O 3.05Å; S1251-I1258 PolarHBondContact OG-N 3.21Å; S1251-I1258 PolarHBondContact OG-O 3.31Å; I1258-I1260 HydrophobicContact CG2-CG1 4.12Å; I1258-Y1274 HydrophobicContact CG2-CD2 4.19Å; I1258-Y1274 HydrophobicContact CG2-CG 4.46Å; I1258-I1275 WeakPolarHBondContact CA-O 3.09Å |
| 1259 | A | 85.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | I1239 V1248 V1250 Y1274 I1275 W1283 | I1239-A1259 HydrophobicContact CD1-CB 3.29Å; V1248-A1259 HydrophobicContact CG2-CB 4.14Å; V1250-A1259 HydrophobicContact CG1-CB 4.39Å; V1250-A1259 HydrophobicContact CG2-CB 3.92Å; A1259-Y1274 CarbonylContact O-C 3.57Å; A1259-Y1274 WeakPolarHBondContact O-CA 3.47Å; A1259-Y1274 WeakPolarHBondContact O-CB 3.07Å; A1259-I1275 HydrophobicContact CB-CG1 3.94Å; A1259-I1275 PolarHBondContact N-O 2.74Å; A1259-I1275 PolarHBondContact O-N 2.89Å; A1259-W1283 HydrophobicContact CB-CH2 4.02Å; A1259-W1283 HydrophobicContact CB-CZ3 3.98Å |
| 1260 | I | 88.1 | Confident | 82.7 | Confident | 78 Ų | 78 | 61.1 Ų | 61.1 | 40% | 0.4 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.4 | -178.3 | -57.9 | 174.3 | 0 | 0 | 0 | 109.4 | V1248 N1249 I1258 | V1248-I1260 WeakPolarHBondContact CA-O 3.49Å; N1249-I1260 PolarHBondContact N-O 3.14Å; N1249-I1260 PolarHBondContact O-N 3.26Å; I1258-I1260 HydrophobicContact CG2-CG1 4.12Å |
| 1261 | F | 88.5 | Confident | 82.5 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 140.4 | -176.7 | -63.2 | -74.2 | 0 | 0 | 0 | 113.1 | I1239 L1246 M1247 V1248 R1273 I1275 P1287 P1288 | I1239-F1261 HydrophobicContact CD1-CZ 4.26Å; I1239-F1261 HydrophobicContact CG2-CE1 4.31Å; I1239-F1261 HydrophobicContact CG2-CZ 4.44Å; L1246-F1261 HydrophobicContact CD1-CB 4.14Å; L1246-F1261 HydrophobicContact CD1-CD1 4.04Å; L1246-F1261 HydrophobicContact CD1-CG 4.45Å; L1246-F1261 HydrophobicContact CD2-CD1 4Å; L1246-F1261 HydrophobicContact CD2-CE1 4.23Å; L1246-F1261 HydrophobicContact CG-CD1 4.16Å; M1247-F1261 WeakPolarHBondContact O-CA 3.49Å; V1248-F1261 HydrophobicContact CB-CD1 3.93Å; V1248-F1261 HydrophobicContact CB-CE1 3.9Å; V1248-F1261 HydrophobicContact CG2-CD1 3.81Å; V1248-F1261 HydrophobicContact CG2-CE1 3.49Å; V1248-F1261 VanDerWaalsContact CG2-CE1 3.49Å; V1248-F1261 HydrophobicContact CG2-CZ 4.19Å; F1261-R1273 PolarHBondContact N-O 3.46Å; F1261-I1275 HydrophobicContact CE2-CB 4.49Å; F1261-I1275 HydrophobicContact CE2-CD1 3.75Å; F1261-I1275 HydrophobicContact CE2-CG1 3.75Å; F1261-I1275 HydrophobicContact CE2-CG2 4.15Å; F1261-I1275 HydrophobicContact CZ-CD1 3.72Å; F1261-I1275 HydrophobicContact CZ-CG1 4.13Å; F1261-P1287 HydrophobicContact CE1-CB 3.99Å; F1261-P1287 HydrophobicContact CZ-CB 3.75Å; F1261-P1287 HydrophobicContact CZ-CG 4.21Å; F1261-P1288 HydrophobicContact CB-CG 3.59Å; F1261-P1288 HydrophobicContact CD1-CG 4.08Å; F1261-P1288 HydrophobicContact CD2-CG 3.59Å; F1261-P1288 HydrophobicContact CE2-CG 4.25Å; F1261-P1288 VanDerWaalsContact CG-CD 3.49Å; F1261-P1288 HydrophobicContact CG-CG 3.48Å; F1261-P1288 VanDerWaalsContact CG-CG 3.48Å |
| 1262 | Q | 85.8 | Confident | 82.6 | Confident | 113 Ų | 113 | 58.6 Ų | 58.6 | 53% | 0.528 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 142.9 | 176.5 | -61.9 | -176.1 | 0.1 | 0 | 0 | 109.9 | M1247 | M1247-Q1262 WeakPolarHBondContact CA-O 3.47Å; M1247-Q1262 WeakPolarHBondContact CB-O 3.41Å; M1247-Q1262 HydrophobicContact CE-CB 3.98Å; M1247-Q1262 PolarHBondContact N-O 2.97Å; M1247-Q1262 PolarHBondContact O-N 3.18Å |
| 1263 | C | 84.9 | Confident | 82.6 | Confident | 23 Ų | 23 | 65.8 Ų | 65.8 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 149.3 | 175.3 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | A1245 F1267 T1268 V1269 C1290 | A1245-C1263 CarbonylContact O-C 3.55Å; A1245-C1263 WeakPolarHBondContact O-CA 3.42Å; C1263-F1267 HydrophobicContact CB-CB 3.85Å; C1263-T1268 PolarHBondContact SG-O 3.12Å; C1263-V1269 HydrophobicContact CB-CG2 4.44Å; C1263-C1290 HydrophobicContact CB-CB 3.8Å; C1263-C1290 WeakPolarHBondContact CB-SG 3.5Å; C1263-C1290 VanDerWaalsContact SG-CA 3.53Å; C1263-C1290 WeakPolarHBondContact SG-CB 3.45Å; C1263-C1290 CovalentContact SG-SG 2.03Å; C1263-C1290 PolarHBondContact SG-SG 2.84Å |
| 1264 | K | 79.4 | Confident | 82.8 | Confident | 106 Ų | 106 | 68.2 Ų | 68.2 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 150.2 | 172.8 | -69.2 | 176.2 | -170.7 | 163 | 0 | 111 | P1244 A1245 M1247 G1266 F1267 | P1244-K1264 PolarHBondContact O-NZ 2.98Å; A1245-K1264 HydrophobicContact CB-CB 4.37Å; A1245-K1264 PolarHBondContact O-N 3.23Å; M1247-K1264 HydrophobicContact CG-CG 4.25Å; M1247-K1264 HydrophobicContact SD-CG 3.93Å; K1264-G1266 PolarHBondContact O-N 3.4Å; K1264-F1267 PolarHBondContact O-N 3.4Å; K1264-F1267 VanDerWaalsContact O-N 3.07Å |
| 1265 | T | 75.4 | Confident | 83 | Confident | 113 Ų | 113 | 63.8 Ų | 63.8 | 69% | 0.693 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 123.4 | -176.5 | -44.8 | 0 | 0 | 0 | 0 | 112.5 | Y1315 | T1265-Y1315 HydrophobicContact CG2-CE1 3.78Š|
| 1266 | G | 70.6 | Confident | 83.4 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 14% | 0.144 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 107.1 | -6.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K1264 V1293 | K1264-G1266 PolarHBondContact O-N 3.4Å; G1266-V1293 WeakPolarHBondContact O-CB 3.29Å; G1266-V1293 WeakPolarHBondContact O-CG2 3.05Å; G1266-V1293 PolarHBondContact O-N 3.27Å |
| 1267 | F | 82.4 | Confident | 83.9 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 33% | 0.333 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 151.6 | 175 | -60.8 | -101.3 | 0 | 0 | 0 | 112 | A1245 C1263 K1264 C1290 A1291 V1292 | A1245-F1267 HydrophobicContact CB-CD1 4.2Å; A1245-F1267 HydrophobicContact CB-CD2 3.85Å; A1245-F1267 HydrophobicContact CB-CE1 4.24Å; A1245-F1267 HydrophobicContact CB-CE2 3.91Å; A1245-F1267 HydrophobicContact CB-CG 4.01Å; A1245-F1267 HydrophobicContact CB-CZ 4.11Å; C1263-F1267 HydrophobicContact CB-CB 3.85Å; K1264-F1267 PolarHBondContact O-N 3.4Å; K1264-F1267 VanDerWaalsContact O-N 3.07Å; F1267-C1290 HydrophobicContact CB-CB 3.93Å; F1267-C1290 HydrophobicContact CD1-CB 4.19Å; F1267-C1290 WeakPolarHBondContact CD1-O 3.07Å; F1267-C1290 HydrophobicContact CG-CB 4.33Å; F1267-A1291 CarbonylContact C-O 3.57Å; F1267-A1291 WeakPolarHBondContact CA-O 3.27Å; F1267-A1291 VanDerWaalsContact CB-O 3.29Å; F1267-A1291 WeakPolarHBondContact CB-O 3.47Å; F1267-V1292 HydrophobicContact CD1-CG2 4.15Å; F1267-V1292 HydrophobicContact CE1-CG2 3.91Å |
| 1268 | T | 77.6 | Confident | 84 | Confident | 67 Ų | 67 | 62.4 Ų | 62.4 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 151.1 | 171.9 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | C1263 C1290 A1291 V1293 | C1263-T1268 PolarHBondContact SG-O 3.12Å; T1268-C1290 CarbonylContact O-C 3.54Å; T1268-C1290 VanDerWaalsContact O-CA 3.23Å; T1268-C1290 WeakPolarHBondContact O-CA 3.49Å; T1268-A1291 PolarHBondContact N-O 3.14Å; T1268-A1291 PolarHBondContact O-N 3.15Å; T1268-V1293 HydrophobicContact CG2-CG2 3.78Å |
| 1269 | V | 82.6 | Confident | 83.8 | Confident | 40 Ų | 40 | 62.1 Ų | 62.1 | 24% | 0.242 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 128.4 | 171.8 | -177 | 0 | 0 | 0 | 0 | 109 | C1263 R1273 P1288 | C1263-V1269 HydrophobicContact CB-CG2 4.44Å; V1269-R1273 HydrophobicContact CG1-CG 4.34Å; V1269-P1288 HydrophobicContact CG1-CB 3.67Å; V1269-P1288 HydrophobicContact CG1-CG 3.79Å |
| 1270 | D | 81.3 | Confident | 83.8 | Confident | 98 Ų | 98 | 69.5 Ų | 69.5 | 52% | 0.524 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 102.4 | 177.3 | -178.1 | 28.5 | 0 | 0 | 0 | 108.9 | P1288 N1289 A1291 | D1270-P1288 CarbonylContact O-C 3.4Å; D1270-P1288 WeakPolarHBondContact O-CA 3.01Å; D1270-P1288 VanDerWaalsContact O-CB 3.24Å; D1270-P1288 WeakPolarHBondContact O-CB 3.23Å; D1270-N1289 PolarHBondContact N-O 2.92Å; D1270-N1289 PolarHBondContact O-N 2.66Å; D1270-A1291 HydrophobicContact CB-CB 4.16Å |
| 1271 | G | 80 | Confident | 83.5 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 49% | 0.485 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 116.9 | -167.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1273 | G1271-R1273 PolarHBondContact O-N 2.04Š|
| 1272 | P | 83 | Confident | 83.5 | Confident | 27 Ų | 27 | 72.8 Ų | 72.8 | 18% | 0.175 | 37% | 0.374 | C | S | . | . | trans | -67.6 | 130.7 | -174 | 27.1 | -35 | 0 | 0 | 0 | 112.3 | Y1274 I1275 E1285 D1286 P1288 | P1272-Y1274 VanDerWaalsContact C-N 3.27Å; P1272-Y1274 PolarHBondContact O-N 2.04Å; P1272-I1275 HydrophobicContact CB-CG2 4.22Å; P1272-I1275 HydrophobicContact CG-CG2 3.97Å; P1272-E1285 HydrophobicContact CG-CB 4.07Å; P1272-D1286 WeakPolarHBondContact CG-O 3.23Å; P1272-P1288 VanDerWaalsContact O-CG 3.26Å; P1272-P1288 WeakPolarHBondContact O-CG 2.97Å | ||
| 1273 | R | 84.2 | Confident | 83.7 | Confident | 190 Ų | 190 | 69.6 Ų | 69.6 | 72% | 0.717 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -73.4 | -18.7 | 179.4 | -65.3 | -171.1 | -175.5 | -170.8 | 5 | 113.6 | F1261 V1269 G1271 | F1261-R1273 PolarHBondContact N-O 3.46Å; V1269-R1273 HydrophobicContact CG1-CG 4.34Å; G1271-R1273 PolarHBondContact O-N 2.04Å |
| 1274 | Y | 90.1 | Very high | 83.9 | Confident | 146 Ų | 146 | 71.3 Ų | 71.3 | 57% | 0.573 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 154.5 | 172.9 | 66.7 | -87.6 | 0 | 0 | 0 | 110.4 | I1258 A1259 P1272 | I1258-Y1274 HydrophobicContact CG2-CD2 4.19Å; I1258-Y1274 HydrophobicContact CG2-CG 4.46Å; A1259-Y1274 CarbonylContact O-C 3.57Å; A1259-Y1274 WeakPolarHBondContact O-CA 3.47Å; A1259-Y1274 WeakPolarHBondContact O-CB 3.07Å; P1272-Y1274 VanDerWaalsContact C-N 3.27Å; P1272-Y1274 PolarHBondContact O-N 2.04Å |
| 1275 | I | 91 | Very high | 84.3 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152.7 | 173.1 | 62.3 | -177.6 | 0 | 0 | 0 | 110.1 | I1239 I1258 A1259 F1261 P1272 W1283 E1285 | I1239-I1275 HydrophobicContact CD1-CD1 4.04Å; I1258-I1275 WeakPolarHBondContact CA-O 3.09Å; A1259-I1275 HydrophobicContact CB-CG1 3.94Å; A1259-I1275 PolarHBondContact N-O 2.74Å; A1259-I1275 PolarHBondContact O-N 2.89Å; F1261-I1275 HydrophobicContact CE2-CB 4.49Å; F1261-I1275 HydrophobicContact CE2-CD1 3.75Å; F1261-I1275 HydrophobicContact CE2-CG1 3.75Å; F1261-I1275 HydrophobicContact CE2-CG2 4.15Å; F1261-I1275 HydrophobicContact CZ-CD1 3.72Å; F1261-I1275 HydrophobicContact CZ-CG1 4.13Å; P1272-I1275 HydrophobicContact CB-CG2 4.22Å; P1272-I1275 HydrophobicContact CG-CG2 3.97Å; I1275-W1283 HydrophobicContact CB-CE3 4.41Å; I1275-W1283 HydrophobicContact CD1-CB 3.99Å; I1275-W1283 HydrophobicContact CD1-CD2 4.04Å; I1275-W1283 HydrophobicContact CD1-CE3 4.1Å; I1275-W1283 HydrophobicContact CD1-CG 4Å; I1275-W1283 HydrophobicContact CG1-CD2 4.19Å; I1275-W1283 HydrophobicContact CG1-CE3 3.72Å; I1275-W1283 HydrophobicContact CG1-CZ3 4.32Å; I1275-E1285 HydrophobicContact CG2-CB 3.89Å |
| 1276 | Q | 90.3 | Very high | 84.7 | Confident | 77 Ų | 77 | 72.8 Ų | 72.8 | 36% | 0.36 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 141.9 | -173 | -177.3 | 175.4 | -17.1 | 0 | 0 | 111.8 | N1256 G1257 T1278 S1284 | N1256-Q1276 PolarHBondContact OD1-NE2 3.17Å; G1257-Q1276 CarbonylContact O-C 3.55Å; G1257-Q1276 WeakPolarHBondContact O-CA 3.36Å; Q1276-T1278 PolarHBondContact O-N 3.29Å; Q1276-S1284 PolarHBondContact N-OG 3Å; Q1276-S1284 PolarHBondContact O-N 3.22Å |
| 1277 | C | 89.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -75.7 | 117.4 | 175.6 | -178.5 | 0 | 0 | 0 | 0 | 111 | C1236 E1254 Y1255 N1256 G1257 W1283 | C1236-C1277 HydrophobicContact CB-CB 3.86Å; C1236-C1277 WeakPolarHBondContact CB-SG 3.22Å; C1236-C1277 WeakPolarHBondContact SG-CA 3.47Å; C1236-C1277 WeakPolarHBondContact SG-CB 3.49Å; C1236-C1277 CovalentContact SG-SG 2.03Å; C1236-C1277 PolarHBondContact SG-SG 3.02Å; E1254-C1277 VanDerWaalsContact O-CB 3.31Å; E1254-C1277 WeakPolarHBondContact O-CB 2.99Å; Y1255-C1277 WeakPolarHBondContact CD2-O 3.36Å; N1256-C1277 PolarHBondContact N-O 2.97Å; G1257-C1277 PolarHBondContact O-N 3.34Å; C1277-W1283 HydrophobicContact CB-CE3 4.26Å; C1277-W1283 HydrophobicContact CB-CH2 4.39Å; C1277-W1283 HydrophobicContact CB-CZ3 4.05Å |
| 1278 | T | 86.9 | Confident | 85.5 | Confident | 43 Ų | 43 | 70.8 Ų | 70.8 | 26% | 0.264 | 37% | 0.367 | S | S | . | . | trans | -80.6 | 166.8 | -175.5 | 67.5 | 0 | 0 | 0 | 0 | 112.7 | Q1276 H1280 G1281 Q1282 | Q1276-T1278 PolarHBondContact O-N 3.29Å; T1278-H1280 PolarHBondContact O-N 2.95Å; T1278-H1280 PolarHBondContact OG1-N 3.49Å; T1278-G1281 PolarHBondContact O-N 3.35Å; T1278-G1281 VanDerWaalsContact O-N 3.15Å; T1278-Q1282 VanDerWaalsContact CB-O 3.31Å; T1278-Q1282 WeakPolarHBondContact CB-O 3.01Å; T1278-Q1282 VanDerWaalsContact CG2-O 3.31Å; T1278-Q1282 WeakPolarHBondContact CG2-O 3.27Å; T1278-Q1282 PolarHBondContact N-O 2.99Å; T1278-Q1282 PolarHBondContact OG1-N 3.28Å; T1278-Q1282 PolarHBondContact OG1-O 3.26Å | ||
| 1279 | S | 83.2 | Confident | 85.9 | Confident | 40 Ų | 40 | 71.4 Ų | 71.4 | 28% | 0.28 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -8 | 176 | 46.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1280 | H | 84.9 | Confident | 86 | Confident | 155 Ų | 155 | 69.8 Ų | 69.8 | 72% | 0.718 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 2.4 | -179.9 | -58.5 | -81 | 0 | 0 | 0 | 113.5 | T1278 Q1282 | T1278-H1280 PolarHBondContact O-N 2.95Å; T1278-H1280 PolarHBondContact OG1-N 3.49Å; H1280-Q1282 VanDerWaalsContact C-N 3.34Å |
| 1281 | G | 82.7 | Confident | 86 | Confident | 15 Ų | 15 | 67 Ų | 67 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 78.2 | 18.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1234 T1278 | V1234-G1281 VanDerWaalsContact CG1-CA 3.43Å; T1278-G1281 PolarHBondContact O-N 3.35Å; T1278-G1281 VanDerWaalsContact O-N 3.15Å |
| 1282 | Q | 88.4 | Confident | 86.1 | Confident | 138 Ų | 138 | 68.4 Ų | 68.4 | 65% | 0.645 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -113.7 | 148.5 | 174.4 | -65.1 | 178 | -17.6 | 0 | 0 | 109.9 | C1236 T1278 H1280 | C1236-Q1282 VanDerWaalsContact SG-C 3.53Å; C1236-Q1282 PolarHBondContact SG-O 2.88Å; C1236-Q1282 VanDerWaalsContact SG-O 3.39Å; T1278-Q1282 VanDerWaalsContact CB-O 3.31Å; T1278-Q1282 WeakPolarHBondContact CB-O 3.01Å; T1278-Q1282 VanDerWaalsContact CG2-O 3.31Å; T1278-Q1282 WeakPolarHBondContact CG2-O 3.27Å; T1278-Q1282 PolarHBondContact N-O 2.99Å; T1278-Q1282 PolarHBondContact OG1-N 3.28Å; T1278-Q1282 PolarHBondContact OG1-O 3.26Å; H1280-Q1282 VanDerWaalsContact C-N 3.34Å |
| 1283 | W | 88.9 | Confident | 86 | Confident | 46 Ų | 46 | 67.4 Ų | 67.4 | 17% | 0.174 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -70.8 | 151.6 | 169.7 | -67.7 | 103.9 | 0 | 0 | 0 | 110.6 | C1236 S1237 I1239 V1250 Y1253 A1259 I1275 C1277 E1285 | C1236-W1283 HydrophobicContact CB-CD2 4.21Å; C1236-W1283 HydrophobicContact CB-CG 4.47Å; C1236-W1283 HydrophobicContact CB-CZ2 4.08Å; S1237-W1283 PolarHBondContact O-NE1 2.97Å; I1239-W1283 HydrophobicContact CD1-CD2 4.34Å; I1239-W1283 HydrophobicContact CD1-CH2 4.21Å; I1239-W1283 HydrophobicContact CD1-CZ2 3.76Å; I1239-W1283 HydrophobicContact CG1-CZ2 3.98Å; V1250-W1283 HydrophobicContact CG1-CH2 4.07Å; Y1253-W1283 AromaticContact CD1-CZ2 3.92Å; Y1253-W1283 HydrophobicContact CD1-CZ2 3.92Å; Y1253-W1283 HydrophobicContact CE1-CZ2 4.24Å; A1259-W1283 HydrophobicContact CB-CH2 4.02Å; A1259-W1283 HydrophobicContact CB-CZ3 3.98Å; I1275-W1283 HydrophobicContact CB-CE3 4.41Å; I1275-W1283 HydrophobicContact CD1-CB 3.99Å; I1275-W1283 HydrophobicContact CD1-CD2 4.04Å; I1275-W1283 HydrophobicContact CD1-CE3 4.1Å; I1275-W1283 HydrophobicContact CD1-CG 4Å; I1275-W1283 HydrophobicContact CG1-CD2 4.19Å; I1275-W1283 HydrophobicContact CG1-CE3 3.72Å; I1275-W1283 HydrophobicContact CG1-CZ3 4.32Å; C1277-W1283 HydrophobicContact CB-CE3 4.26Å; C1277-W1283 HydrophobicContact CB-CH2 4.39Å; C1277-W1283 HydrophobicContact CB-CZ3 4.05Å; W1283-E1285 VanDerWaalsContact C-N 3.33Å; W1283-E1285 PolarHBondContact O-N 2.82Å |
| 1284 | S | 89.1 | Confident | 86.1 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 42% | 0.42 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -64.2 | -33.9 | -177 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | Q1276 | Q1276-S1284 PolarHBondContact N-OG 3Å; Q1276-S1284 PolarHBondContact O-N 3.22Å |
| 1285 | E | 87.3 | Confident | 85.8 | Confident | 111 Ų | 111 | 59.4 Ų | 59.4 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -148.9 | 167.1 | -179.3 | -63.3 | 176.8 | -116.2 | 0 | 0 | 109.8 | P1272 I1275 W1283 | P1272-E1285 HydrophobicContact CG-CB 4.07Å; I1275-E1285 HydrophobicContact CG2-CB 3.89Å; W1283-E1285 VanDerWaalsContact C-N 3.33Å; W1283-E1285 PolarHBondContact O-N 2.82Å |
| 1286 | D | 84.6 | Confident | 85.6 | Confident | 139 Ų | 139 | 64.1 Ų | 64.1 | 74% | 0.743 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 151 | 173.4 | -73.3 | -51.3 | 0 | 0 | 0 | 112.5 | P1272 | P1272-D1286 WeakPolarHBondContact CG-O 3.23Š|
| 1287 | P | 83.5 | Confident | 85.3 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 29% | 0.292 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 140.9 | 175.4 | -24.6 | 35.2 | 0 | 0 | 0 | 113.7 | I1239 F1261 | I1239-P1287 HydrophobicContact CG2-CG 3.91Å; F1261-P1287 HydrophobicContact CE1-CB 3.99Å; F1261-P1287 HydrophobicContact CZ-CB 3.75Å; F1261-P1287 HydrophobicContact CZ-CG 4.21Å |
| 1288 | P | 87.5 | Confident | 84.9 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.019 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 161.9 | -179.9 | 34.5 | -40 | 0 | 0 | 0 | 113 | L1246 F1261 V1269 D1270 P1272 | L1246-P1288 HydrophobicContact CD1-CG 4.17Å; L1246-P1288 WeakPolarHBondContact CD2-O 3.41Å; F1261-P1288 HydrophobicContact CB-CG 3.59Å; F1261-P1288 HydrophobicContact CD1-CG 4.08Å; F1261-P1288 HydrophobicContact CD2-CG 3.59Å; F1261-P1288 HydrophobicContact CE2-CG 4.25Å; F1261-P1288 VanDerWaalsContact CG-CD 3.49Å; F1261-P1288 HydrophobicContact CG-CG 3.48Å; F1261-P1288 VanDerWaalsContact CG-CG 3.48Å; V1269-P1288 HydrophobicContact CG1-CB 3.67Å; V1269-P1288 HydrophobicContact CG1-CG 3.79Å; D1270-P1288 CarbonylContact O-C 3.4Å; D1270-P1288 WeakPolarHBondContact O-CA 3.01Å; D1270-P1288 VanDerWaalsContact O-CB 3.24Å; D1270-P1288 WeakPolarHBondContact O-CB 3.23Å; P1272-P1288 VanDerWaalsContact O-CG 3.26Å; P1272-P1288 WeakPolarHBondContact O-CG 2.97Å |
| 1289 | N | 84.7 | Confident | 84.7 | Confident | 79 Ų | 79 | 70.2 Ų | 70.2 | 42% | 0.422 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 175.8 | 169.7 | -70.5 | -68.2 | 0 | 0 | 0 | 111.4 | D1270 | D1270-N1289 PolarHBondContact N-O 2.92Å; D1270-N1289 PolarHBondContact O-N 2.66Å |
| 1290 | C | 85.3 | Confident | 84.7 | Confident | 7 Ų | 7 | 71.8 Ų | 71.8 | 5% | 0.047 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 105.6 | 173.5 | -65.9 | 0 | 0 | 0 | 0 | 111 | H1243 A1245 C1263 F1267 T1268 | H1243-C1290 PolarHBondContact CE1-O 2.82Å; H1243-C1290 WeakPolarHBondContact ND1-CB 3.5Å; A1245-C1290 HydrophobicContact CB-CB 4.13Å; C1263-C1290 HydrophobicContact CB-CB 3.8Å; C1263-C1290 WeakPolarHBondContact CB-SG 3.5Å; C1263-C1290 VanDerWaalsContact SG-CA 3.53Å; C1263-C1290 WeakPolarHBondContact SG-CB 3.45Å; C1263-C1290 CovalentContact SG-SG 2.03Å; C1263-C1290 PolarHBondContact SG-SG 2.84Å; F1267-C1290 HydrophobicContact CB-CB 3.93Å; F1267-C1290 HydrophobicContact CD1-CB 4.19Å; F1267-C1290 WeakPolarHBondContact CD1-O 3.07Å; F1267-C1290 HydrophobicContact CG-CB 4.33Å; T1268-C1290 CarbonylContact O-C 3.54Å; T1268-C1290 VanDerWaalsContact O-CA 3.23Å; T1268-C1290 WeakPolarHBondContact O-CA 3.49Å |
| 1291 | A | 80.9 | Confident | 84.4 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 156.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1267 T1268 D1270 | F1267-A1291 CarbonylContact C-O 3.57Å; F1267-A1291 WeakPolarHBondContact CA-O 3.27Å; F1267-A1291 VanDerWaalsContact CB-O 3.29Å; F1267-A1291 WeakPolarHBondContact CB-O 3.47Å; T1268-A1291 PolarHBondContact N-O 3.14Å; T1268-A1291 PolarHBondContact O-N 3.15Å; D1270-A1291 HydrophobicContact CB-CB 4.16Å |
| 1292 | V | 81.6 | Confident | 84.4 | Confident | 76 Ų | 76 | 71.7 Ų | 71.7 | 46% | 0.461 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 133.3 | -177.4 | -171.9 | 0 | 0 | 0 | 0 | 111 | F1267 R1294 Y1314 | F1267-V1292 HydrophobicContact CD1-CG2 4.15Å; F1267-V1292 HydrophobicContact CE1-CG2 3.91Å; V1292-R1294 PolarHBondContact O-N 2.89Å; V1292-Y1314 HydrophobicContact CG1-CD1 3.92Å; V1292-Y1314 HydrophobicContact CG1-CE1 4.33Å |
| 1293 | V | 81.5 | Confident | 83.9 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 118.5 | 173.8 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | G1266 T1268 Y1315 | G1266-V1293 WeakPolarHBondContact O-CB 3.29Å; G1266-V1293 WeakPolarHBondContact O-CG2 3.05Å; G1266-V1293 PolarHBondContact O-N 3.27Å; T1268-V1293 HydrophobicContact CG2-CG2 3.78Å; V1293-Y1315 PolarHBondContact O-N 3.3Å |
| 1294 | R | 85.3 | Confident | 83.7 | Confident | 155 Ų | 155 | 64.3 Ų | 64.3 | 59% | 0.585 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 144.8 | 171.6 | -63.6 | 177.6 | -179.4 | -174.9 | -2.2 | 109.5 | V1292 Y1313 Y1314 G1341 | V1292-R1294 PolarHBondContact O-N 2.89Å; R1294-Y1313 WeakPolarHBondContact CA-O 3.14Å; R1294-Y1314 HydrophobicContact CG-CD1 4.01Å; R1294-Y1314 HydrophobicContact CG-CE1 3.86Å; R1294-G1341 VanDerWaalsContact O-CA 3.32Å; R1294-G1341 WeakPolarHBondContact O-CA 3.25Å |
| 1295 | C | 84.8 | Confident | 83.6 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 9% | 0.088 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 157.8 | 166.8 | -78.8 | 0 | 0 | 0 | 0 | 111 | Y1313 C1337 G1341 W1343 | C1295-Y1313 PolarHBondContact N-O 2.91Å; C1295-C1337 HydrophobicContact CB-CB 3.94Å; C1295-C1337 WeakPolarHBondContact CB-SG 3.39Å; C1295-C1337 WeakPolarHBondContact SG-CA 3.35Å; C1295-C1337 WeakPolarHBondContact SG-CB 3.06Å; C1295-C1337 CovalentContact SG-SG 2.02Å; C1295-C1337 PolarHBondContact SG-SG 2.78Å; C1295-G1341 WeakPolarHBondContact CA-O 3.24Å; C1295-G1341 VanDerWaalsContact SG-CA 3.59Å; C1295-G1341 PolarHBondContact SG-O 3.43Å; C1295-G1341 VanDerWaalsContact SG-O 3.33Å; C1295-W1343 HydrophobicContact CB-CZ2 3.88Å |
| 1296 | T | 86.4 | Confident | 83.5 | Confident | 98 Ų | 98 | 60.7 Ų | 60.7 | 60% | 0.601 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 156.7 | 164.3 | 52.2 | 0 | 0 | 0 | 0 | 110.6 | W1343 | T1296-W1343 PolarHBondContact O-NE1 2.85Š|
| 1297 | N | 84.5 | Confident | 83.4 | Confident | 98 Ų | 98 | 57.8 Ų | 57.8 | 52% | 0.524 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 130.1 | 165.6 | -75.3 | -13.6 | 0 | 0 | 0 | 108.2 | Y1313 | N1297-Y1313 WeakPolarHBondContact OD1-CD2 3.05Š|
| 1298 | P | 82 | Confident | 83.3 | Confident | 16 Ų | 16 | 58.9 Ų | 58.9 | 10% | 0.104 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 137.3 | -177.2 | 29.5 | -32.1 | 0 | 0 | 0 | 111.1 | L1306 Y1313 V1319 F1321 W1343 | P1298-L1306 HydrophobicContact CG-CD1 3.96Å; P1298-L1306 HydrophobicContact CG-CD2 3.74Å; P1298-Y1313 HydrophobicContact CG-CE2 4.47Å; P1298-V1319 HydrophobicContact CB-CG2 4.49Å; P1298-V1319 HydrophobicContact CG-CG1 4.17Å; P1298-V1319 HydrophobicContact CG-CG2 4.05Å; P1298-F1321 HydrophobicContact CB-CZ 4.46Å; P1298-W1343 HydrophobicContact CB-CD2 4.42Å; P1298-W1343 HydrophobicContact CB-CZ2 4.41Å; P1298-W1343 HydrophobicContact CG-CZ2 3.98Å |
| 1299 | D | 81.4 | Confident | 83.1 | Confident | 135 Ų | 135 | 69.4 Ų | 69.4 | 72% | 0.722 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 141.8 | 178.9 | -55.3 | -68.9 | 0 | 0 | 0 | 111.7 | F1321 | D1299-F1321 WeakPolarHBondContact O-CE1 3.12Š|
| 1300 | V | 82.9 | Confident | 82.8 | Confident | 72 Ų | 72 | 69.6 Ų | 69.6 | 44% | 0.436 | 38% | 0.377 | S | S | . | . | trans | -115.5 | 104.9 | -176.4 | -172.4 | 0 | 0 | 0 | 0 | 109 | A1304 L1306 | V1300-A1304 HydrophobicContact CG1-CB 4.11Å; V1300-A1304 WeakPolarHBondContact CG1-O 3.05Å; V1300-L1306 HydrophobicContact CG2-CB 3.87Å; V1300-L1306 HydrophobicContact CG2-CD1 4.39Å; V1300-L1306 HydrophobicContact CG2-CD2 4.47Å; V1300-L1306 HydrophobicContact CG2-CG 4.48Å | ||
| 1301 | P | 80 | Confident | 82.6 | Confident | 43 Ų | 43 | 75 Ų | 75 | 28% | 0.279 | 41% | 0.41 | S | S | . | . | trans | -69 | 159.3 | -176.3 | 23.7 | -30.1 | 0 | 0 | 0 | 112.4 | G1303 A1304 A1347 P1348 | P1301-G1303 PolarHBondContact O-N 2.88Å; P1301-A1304 HydrophobicContact CG-CB 3.93Å; P1301-A1304 VanDerWaalsContact O-CB 3.28Å; P1301-A1304 WeakPolarHBondContact O-CB 3.35Å; P1301-A1304 PolarHBondContact O-N 3.2Å; P1301-A1347 HydrophobicContact CG-CB 4.01Å; P1301-P1348 WeakPolarHBondContact CG-O 3.27Å | ||
| 1302 | T | 81.2 | Confident | 82.7 | Confident | 126 Ų | 126 | 77.6 Ų | 77.6 | 77% | 0.773 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 127.4 | -176.5 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | A1304 | T1302-A1304 VanDerWaalsContact C-N 3.32Š|
| 1303 | G | 79.4 | Confident | 82.9 | Confident | 16 Ų | 16 | 74.1 Ų | 74.1 | 17% | 0.165 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -0.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1301 C1323 S1324 | P1301-G1303 PolarHBondContact O-N 2.88Å; G1303-C1323 CarbonylContact O-C 3.46Å; G1303-C1323 WeakPolarHBondContact O-CA 3.3Å; G1303-S1324 WeakPolarHBondContact O-CB 3.06Å; G1303-S1324 PolarHBondContact O-N 2.88Å; G1303-S1324 PolarHBondContact O-OG 2.88Å |
| 1304 | A | 84.1 | Confident | 83.1 | Confident | 12 Ų | 12 | 78 Ų | 78 | 10% | 0.099 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 158.4 | 170 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1300 P1301 T1302 S1322 | V1300-A1304 HydrophobicContact CG1-CB 4.11Å; V1300-A1304 WeakPolarHBondContact CG1-O 3.05Å; P1301-A1304 HydrophobicContact CG-CB 3.93Å; P1301-A1304 VanDerWaalsContact O-CB 3.28Å; P1301-A1304 WeakPolarHBondContact O-CB 3.35Å; P1301-A1304 PolarHBondContact O-N 3.2Å; T1302-A1304 VanDerWaalsContact C-N 3.32Å; A1304-S1322 CarbonylContact C-O 3.54Å; A1304-S1322 WeakPolarHBondContact CA-O 3.28Å |
| 1305 | V | 87.3 | Confident | 82.9 | Confident | 71 Ų | 71 | 73.6 Ų | 73.6 | 43% | 0.43 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 146.5 | 167.9 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | F1321 S1322 | V1305-F1321 WeakPolarHBondContact O-CA 3.24Å; V1305-S1322 WeakPolarHBondContact CG2-O 3.44Å; V1305-S1322 PolarHBondContact N-O 2.9Å; V1305-S1322 PolarHBondContact O-N 2.91Å |
| 1306 | L | 85.1 | Confident | 82.7 | Confident | 25 Ų | 25 | 80.2 Ų | 80.2 | 13% | 0.131 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.7 | -174.6 | -165.8 | 85.2 | 0 | 0 | 0 | 111.7 | P1298 V1300 Y1313 V1319 L1320 F1321 | P1298-L1306 HydrophobicContact CG-CD1 3.96Å; P1298-L1306 HydrophobicContact CG-CD2 3.74Å; V1300-L1306 HydrophobicContact CG2-CB 3.87Å; V1300-L1306 HydrophobicContact CG2-CD1 4.39Å; V1300-L1306 HydrophobicContact CG2-CD2 4.47Å; V1300-L1306 HydrophobicContact CG2-CG 4.48Å; L1306-Y1313 WeakPolarHBondContact CD2-OH 3.41Å; L1306-V1319 HydrophobicContact CD1-CB 3.84Å; L1306-V1319 HydrophobicContact CD1-CG1 4.38Å; L1306-V1319 HydrophobicContact CD1-CG2 4.03Å; L1306-V1319 HydrophobicContact CD2-CG1 4.22Å; L1306-V1319 HydrophobicContact CG-CB 4.2Å; L1306-V1319 HydrophobicContact CG-CG1 4.37Å; L1306-L1320 CarbonylContact C-O 3.43Å; L1306-L1320 WeakPolarHBondContact CA-O 3.06Å; L1306-F1321 HydrophobicContact CD1-CD1 3.77Å; L1306-F1321 HydrophobicContact CD1-CE1 3.49Å; L1306-F1321 VanDerWaalsContact CD1-CE1 3.49Å; L1306-F1321 HydrophobicContact CD1-CG 4.48Å; L1306-F1321 HydrophobicContact CD1-CZ 4Å |
| 1307 | V | 82.7 | Confident | 82.7 | Confident | 77 Ų | 77 | 77.1 Ų | 77.1 | 47% | 0.467 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 123.9 | -175.4 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | L1320 | V1307-L1320 HydrophobicContact CB-CB 4.48Å; V1307-L1320 PolarHBondContact N-O 3.02Å; V1307-L1320 WeakPolarHBondContact O-CB 3.21Å; V1307-L1320 PolarHBondContact O-N 2.67Å |
| 1308 | P | 80.7 | Confident | 82.7 | Confident | 68 Ų | 68 | 74.2 Ų | 74.2 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | S | Bend | cis | -77.7 | 145.7 | -14.3 | 33.6 | -33.9 | 0 | 0 | 0 | 111.8 | Y1313 | P1308-Y1313 PolarHBondContact O-OH 3.19Š|
| 1309 | R | 82.6 | Confident | 82.9 | Confident | 224 Ų | 224 | 73.5 Ų | 73.5 | 85% | 0.845 | 37% | 0.374 | S | S | * | . | trans | -80.4 | 118.9 | 168.5 | -164.1 | 175.3 | -173.6 | 179.4 | 2.2 | 109.4 | Y1313 | R1309-Y1313 WeakPolarHBondContact CA-OH 3.03Š| ||
| 1310 | K | 80.2 | Confident | 83.1 | Confident | 83 Ų | 83 | 69.2 Ų | 69.2 | 36% | 0.361 | 35% | 0.351 | S | S | . | . | trans | -110.9 | 162.9 | 175.6 | -60.9 | -168.5 | -176.5 | -171.4 | 0 | 110.9 | H1312 Y1313 D1317 | K1310-H1312 WeakPolarHBondContact CB-O 3.27Å; K1310-Y1313 HydrophobicContact CB-CD1 4.17Å; K1310-Y1313 HydrophobicContact CB-CE1 3.72Å; K1310-Y1313 HydrophobicContact CB-CE2 4.15Å; K1310-Y1313 HydrophobicContact CD-CD1 3.91Å; K1310-Y1313 HydrophobicContact CD-CE1 3.87Å; K1310-Y1313 HydrophobicContact CG-CD1 4.2Å; K1310-Y1313 HydrophobicContact CG-CE1 3.66Å; K1310-Y1313 PolarHBondContact N-OH 3.33Å; K1310-D1317 IonicContact NZ-OD1 3.26Å; K1310-D1317 PolarHBondContact NZ-OD1 2.89Å; K1310-D1317 IonicContact NZ-OD2 3.46Å; K1310-D1317 PolarHBondContact NZ-OD2 2.89Å | ||
| 1311 | V | 81 | Confident | 83.4 | Confident | 120 Ų | 120 | 66.1 Ų | 66.1 | 73% | 0.727 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -71.5 | -40.4 | 170.6 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1312 | H | 81.4 | Confident | 83.5 | Confident | 94 Ų | 94 | 67.1 Ų | 67.1 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -140 | 150.7 | 177.2 | -61.8 | -27.8 | 0 | 0 | 0 | 110.2 | K1310 Y1314 | K1310-H1312 WeakPolarHBondContact CB-O 3.27Å; H1312-Y1314 HydrophobicContact CB-CE2 3.97Å |
| 1313 | Y | 85.9 | Confident | 83.7 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 137.6 | 178.1 | -67 | -80.9 | 0 | 0 | 0 | 111.4 | R1294 C1295 N1297 P1298 L1306 P1308 R1309 K1310 D1317 V1319 W1343 | R1294-Y1313 WeakPolarHBondContact CA-O 3.14Å; C1295-Y1313 PolarHBondContact N-O 2.91Å; N1297-Y1313 WeakPolarHBondContact OD1-CD2 3.05Å; P1298-Y1313 HydrophobicContact CG-CE2 4.47Å; L1306-Y1313 WeakPolarHBondContact CD2-OH 3.41Å; P1308-Y1313 PolarHBondContact O-OH 3.19Å; R1309-Y1313 WeakPolarHBondContact CA-OH 3.03Å; K1310-Y1313 HydrophobicContact CB-CD1 4.17Å; K1310-Y1313 HydrophobicContact CB-CE1 3.72Å; K1310-Y1313 HydrophobicContact CB-CE2 4.15Å; K1310-Y1313 HydrophobicContact CD-CD1 3.91Å; K1310-Y1313 HydrophobicContact CD-CE1 3.87Å; K1310-Y1313 HydrophobicContact CG-CD1 4.2Å; K1310-Y1313 HydrophobicContact CG-CE1 3.66Å; K1310-Y1313 PolarHBondContact N-OH 3.33Å; Y1313-D1317 WeakPolarHBondContact CA-OD2 3.38Å; Y1313-D1317 HydrophobicContact CD1-CB 4.13Å; Y1313-V1319 HydrophobicContact CD1-CG1 3.96Å; Y1313-V1319 HydrophobicContact CE1-CG1 3.26Å; Y1313-W1343 AromaticContact CD1-CH2 3.71Å; Y1313-W1343 HydrophobicContact CD1-CH2 3.71Å; Y1313-W1343 HydrophobicContact CD1-CZ2 4.06Å; Y1313-W1343 HydrophobicContact CD2-CZ2 4.04Å; Y1313-W1343 HydrophobicContact CE1-CH2 4.36Å; Y1313-W1343 AromaticContact CG-CH2 3.78Å; Y1313-W1343 HydrophobicContact CG-CH2 3.78Å; Y1313-W1343 AromaticContact CG-CZ2 3.66Å; Y1313-W1343 HydrophobicContact CG-CZ2 3.66Å |
| 1314 | Y | 86.3 | Confident | 83.9 | Confident | 89 Ų | 89 | 64 Ų | 64 | 35% | 0.349 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 164.1 | -174.7 | -60.8 | -83.7 | 0 | 0 | 0 | 112 | V1292 R1294 H1312 R1316 D1317 C1337 | V1292-Y1314 HydrophobicContact CG1-CD1 3.92Å; V1292-Y1314 HydrophobicContact CG1-CE1 4.33Å; R1294-Y1314 HydrophobicContact CG-CD1 4.01Å; R1294-Y1314 HydrophobicContact CG-CE1 3.86Å; H1312-Y1314 HydrophobicContact CB-CE2 3.97Å; Y1314-R1316 PolarHBondContact O-N 3.49Å; Y1314-D1317 PolarHBondContact N-OD2 2.83Å; Y1314-D1317 VanDerWaalsContact O-CB 3.24Å; Y1314-D1317 WeakPolarHBondContact O-CB 3.42Å; Y1314-D1317 PolarHBondContact O-N 2.98Å; Y1314-C1337 VanDerWaalsContact O-CB 3.27Å; Y1314-C1337 WeakPolarHBondContact O-CB 3.31Å; Y1314-C1337 PolarHBondContact O-SG 2.88Å |
| 1315 | Y | 80.9 | Confident | 83.7 | Confident | 62 Ų | 62 | 69.5 Ų | 69.5 | 24% | 0.243 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47 | 128.5 | 176.9 | 169.6 | -118.6 | 0 | 0 | 0 | 112.8 | T1265 V1293 K1339 | T1265-Y1315 HydrophobicContact CG2-CE1 3.78Å; V1293-Y1315 PolarHBondContact O-N 3.3Å; Y1315-K1339 HydrophobicContact CD2-CB 4.27Å; Y1315-K1339 HydrophobicContact CE2-CB 3.91Å |
| 1316 | R | 80.9 | Confident | 83.1 | Confident | 153 Ų | 153 | 68 Ų | 68 | 58% | 0.577 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 2 | -172.3 | -54.1 | 178 | 171.5 | -162.2 | -4.9 | 117.2 | Y1314 C1337 | Y1314-R1316 PolarHBondContact O-N 3.49Å; R1316-C1337 PolarHBondContact N-O 3.39Å |
| 1317 | D | 85.9 | Confident | 83 | Confident | 32 Ų | 32 | 69.5 Ų | 69.5 | 17% | 0.171 | 36% | 0.362 | C | S | . | . | trans | -61.2 | 146.4 | 165.5 | -83.4 | -25.9 | 0 | 0 | 0 | 111.1 | K1310 Y1313 Y1314 I1336 C1337 | K1310-D1317 IonicContact NZ-OD1 3.26Å; K1310-D1317 PolarHBondContact NZ-OD1 2.89Å; K1310-D1317 IonicContact NZ-OD2 3.46Å; K1310-D1317 PolarHBondContact NZ-OD2 2.89Å; Y1313-D1317 WeakPolarHBondContact CA-OD2 3.38Å; Y1313-D1317 HydrophobicContact CD1-CB 4.13Å; Y1314-D1317 PolarHBondContact N-OD2 2.83Å; Y1314-D1317 VanDerWaalsContact O-CB 3.24Å; Y1314-D1317 WeakPolarHBondContact O-CB 3.42Å; Y1314-D1317 PolarHBondContact O-N 2.98Å; D1317-I1336 CarbonylContact O-C 3.48Å; D1317-I1336 WeakPolarHBondContact O-CA 3.47Å; D1317-C1337 HydrophobicContact CB-CB 4.38Å; D1317-C1337 PolarHBondContact O-N 3.38Å | ||
| 1318 | I | 85 | Confident | 82.7 | Confident | 38 Ų | 38 | 68.3 Ų | 68.3 | 20% | 0.195 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.9 | 176.5 | -49.1 | -169.5 | 0 | 0 | 0 | 108.2 | L593 A1335 I1336 | L593-I1318 HydrophobicContact CD1-CD1 4.45Å; L593-I1318 HydrophobicContact CD2-CD1 3.87Å; L593-I1318 HydrophobicContact CG-CD1 4.41Å; I1318-A1335 WeakPolarHBondContact CA-O 3.31Å; I1318-A1335 WeakPolarHBondContact CG2-O 3.26Å; I1318-I1336 HydrophobicContact CD1-CD1 4.2Å; I1318-I1336 HydrophobicContact CD1-CG1 4.11Å; I1318-I1336 HydrophobicContact CG1-CG1 4.02Å; I1318-I1336 HydrophobicContact CG1-CG2 4.22Å; I1318-I1336 HydrophobicContact CG2-CG1 4.2Å |
| 1319 | V | 86.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 149.8 | 167.7 | -65.9 | 0 | 0 | 0 | 0 | 110 | P1298 L1306 Y1313 F1321 Y1334 A1335 W1343 | P1298-V1319 HydrophobicContact CB-CG2 4.49Å; P1298-V1319 HydrophobicContact CG-CG1 4.17Å; P1298-V1319 HydrophobicContact CG-CG2 4.05Å; L1306-V1319 HydrophobicContact CD1-CB 3.84Å; L1306-V1319 HydrophobicContact CD1-CG1 4.38Å; L1306-V1319 HydrophobicContact CD1-CG2 4.03Å; L1306-V1319 HydrophobicContact CD2-CG1 4.22Å; L1306-V1319 HydrophobicContact CG-CB 4.2Å; L1306-V1319 HydrophobicContact CG-CG1 4.37Å; Y1313-V1319 HydrophobicContact CD1-CG1 3.96Å; Y1313-V1319 HydrophobicContact CE1-CG1 3.26Å; V1319-F1321 HydrophobicContact CG2-CE2 4.33Å; V1319-F1321 HydrophobicContact CG2-CZ 4.42Å; V1319-Y1334 CarbonylContact O-C 3.57Å; V1319-Y1334 VanDerWaalsContact O-CA 3.26Å; V1319-Y1334 WeakPolarHBondContact O-CA 3.44Å; V1319-A1335 HydrophobicContact CG2-CB 3.92Å; V1319-A1335 PolarHBondContact N-O 2.93Å; V1319-A1335 PolarHBondContact O-N 2.96Å; V1319-W1343 HydrophobicContact CB-CZ3 4.5Å; V1319-W1343 HydrophobicContact CG1-CH2 3.79Å; V1319-W1343 HydrophobicContact CG1-CZ2 4.47Å; V1319-W1343 HydrophobicContact CG1-CZ3 4.18Å; V1319-W1343 HydrophobicContact CG2-CE3 4.1Å; V1319-W1343 HydrophobicContact CG2-CH2 4.11Å; V1319-W1343 HydrophobicContact CG2-CZ3 3.78Å |
| 1320 | L | 85.1 | Confident | 82.5 | Confident | 46 Ų | 46 | 59.1 Ų | 59.1 | 24% | 0.241 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 145 | 173.1 | -60.9 | 166.9 | 0 | 0 | 0 | 110.1 | H592 L1306 V1307 N1333 | H592-L1320 WeakPolarHBondContact NE2-CD1 3.48Å; H592-L1320 WeakPolarHBondContact NE2-CD2 3.38Å; L1306-L1320 CarbonylContact C-O 3.43Å; L1306-L1320 WeakPolarHBondContact CA-O 3.06Å; V1307-L1320 HydrophobicContact CB-CB 4.48Å; V1307-L1320 PolarHBondContact N-O 3.02Å; V1307-L1320 WeakPolarHBondContact O-CB 3.21Å; V1307-L1320 PolarHBondContact O-N 2.67Å; L1320-N1333 WeakPolarHBondContact CA-O 3.45Å; L1320-N1333 WeakPolarHBondContact CD2-O 3.4Å |
| 1321 | F | 88.3 | Confident | 82.3 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.3 | 171.8 | -58.2 | -87 | 0 | 0 | 0 | 108.3 | P1298 D1299 V1305 L1306 V1319 L1329 N1333 A1335 A1347 P1348 | P1298-F1321 HydrophobicContact CB-CZ 4.46Å; D1299-F1321 WeakPolarHBondContact O-CE1 3.12Å; V1305-F1321 WeakPolarHBondContact O-CA 3.24Å; L1306-F1321 HydrophobicContact CD1-CD1 3.77Å; L1306-F1321 HydrophobicContact CD1-CE1 3.49Å; L1306-F1321 VanDerWaalsContact CD1-CE1 3.49Å; L1306-F1321 HydrophobicContact CD1-CG 4.48Å; L1306-F1321 HydrophobicContact CD1-CZ 4Å; V1319-F1321 HydrophobicContact CG2-CE2 4.33Å; V1319-F1321 HydrophobicContact CG2-CZ 4.42Å; F1321-L1329 VanDerWaalsContact O-CD1 3.31Å; F1321-L1329 WeakPolarHBondContact O-CD1 3.47Å; F1321-N1333 PolarHBondContact N-O 3.35Å; F1321-A1335 HydrophobicContact CE2-CB 4.06Å; F1321-A1347 HydrophobicContact CD1-CB 4.35Å; F1321-A1347 HydrophobicContact CE1-CB 3.68Å; F1321-A1347 HydrophobicContact CZ-CB 3.78Å; F1321-P1348 HydrophobicContact CB-CG 3.45Å; F1321-P1348 VanDerWaalsContact CB-CG 3.45Å; F1321-P1348 HydrophobicContact CD1-CG 4.48Å; F1321-P1348 HydrophobicContact CD2-CG 4Å; F1321-P1348 HydrophobicContact CG-CG 3.76Å |
| 1322 | S | 83.3 | Confident | 82.3 | Confident | 63 Ų | 63 | 58.2 Ų | 58.2 | 44% | 0.441 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 140.1 | 171.1 | -174 | 0 | 0 | 0 | 0 | 108.9 | A1304 V1305 | A1304-S1322 CarbonylContact C-O 3.54Å; A1304-S1322 WeakPolarHBondContact CA-O 3.28Å; V1305-S1322 WeakPolarHBondContact CG2-O 3.44Å; V1305-S1322 PolarHBondContact N-O 2.9Å; V1305-S1322 PolarHBondContact O-N 2.91Å |
| 1323 | C | 84.2 | Confident | 82.5 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 16% | 0.155 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 152.2 | 171.9 | -61 | 0 | 0 | 0 | 0 | 111.5 | G1303 L1329 C1350 | G1303-C1323 CarbonylContact O-C 3.46Å; G1303-C1323 WeakPolarHBondContact O-CA 3.3Å; C1323-L1329 WeakPolarHBondContact SG-CA 3.4Å; C1323-L1329 WeakPolarHBondContact SG-CB 3.49Å; C1323-C1350 WeakPolarHBondContact CA-SG 3.44Å; C1323-C1350 HydrophobicContact CB-CB 3.93Å; C1323-C1350 WeakPolarHBondContact CB-SG 3.34Å; C1323-C1350 VanDerWaalsContact SG-CA 3.5Å; C1323-C1350 WeakPolarHBondContact SG-CB 3.17Å; C1323-C1350 CovalentContact SG-SG 2.04Å; C1323-C1350 PolarHBondContact SG-SG 3.43Å |
| 1324 | S | 84.8 | Confident | 82.6 | Confident | 54 Ų | 54 | 61.1 Ų | 61.1 | 38% | 0.378 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -71 | 161.9 | 167.8 | -68 | 0 | 0 | 0 | 0 | 111.3 | G1303 Y1327 | G1303-S1324 WeakPolarHBondContact O-CB 3.06Å; G1303-S1324 PolarHBondContact O-N 2.88Å; G1303-S1324 PolarHBondContact O-OG 2.88Å; S1324-Y1327 PolarHBondContact O-N 2.9Å |
| 1325 | S | 80 | Confident | 82.6 | Confident | 127 Ų | 127 | 56.9 Ų | 56.9 | 89% | 0.888 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 140.6 | 177 | -167.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1326 | G | 73.8 | Confident | 83 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 2.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1327 | Y | 83.4 | Confident | 83.3 | Confident | 57 Ų | 57 | 49.2 Ų | 49.2 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 146.7 | 176.1 | -59.5 | -98.4 | 0 | 0 | 0 | 112 | S1324 C1350 L1351 R1352 | S1324-Y1327 PolarHBondContact O-N 2.9Å; Y1327-C1350 HydrophobicContact CD1-CB 4.25Å; Y1327-C1350 WeakPolarHBondContact CD1-O 3.39Å; Y1327-C1350 HydrophobicContact CG-CB 4.33Å; Y1327-L1351 CarbonylContact C-O 3.57Å; Y1327-L1351 VanDerWaalsContact CA-O 3.29Å; Y1327-L1351 WeakPolarHBondContact CA-O 3.16Å; Y1327-R1352 HydrophobicContact CD1-CG 3.66Å; Y1327-R1352 HydrophobicContact CE1-CG 3.44Å; Y1327-R1352 VanDerWaalsContact CE1-CG 3.44Å; Y1327-R1352 PolarHBondContact OH-NE 2.96Å; Y1327-R1352 PolarHBondContact OH-NH2 2.7Å |
| 1328 | L | 77.6 | Confident | 83.1 | Confident | 52 Ų | 52 | 49.8 Ų | 49.8 | 27% | 0.272 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130.4 | 176.6 | -171.3 | 71.9 | 0 | 0 | 0 | 109.8 | C1350 L1351 F1353 Y1372 L1374 | L1328-C1350 WeakPolarHBondContact O-CA 3.39Å; L1328-L1351 PolarHBondContact N-O 3Å; L1328-L1351 PolarHBondContact O-N 3.27Å; L1328-F1353 HydrophobicContact CB-CD1 4.16Å; L1328-Y1372 HydrophobicContact CD2-CD2 4.14Å; L1328-Y1372 HydrophobicContact CD2-CE2 3.66Å; L1328-L1374 HydrophobicContact CD2-CD2 4.26Å |
| 1329 | L | 81 | Confident | 82.8 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 28% | 0.277 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 124.2 | 178.8 | -165.7 | 151.6 | 0 | 0 | 0 | 110.7 | F1321 C1323 N1333 P1348 | F1321-L1329 VanDerWaalsContact O-CD1 3.31Å; F1321-L1329 WeakPolarHBondContact O-CD1 3.47Å; C1323-L1329 WeakPolarHBondContact SG-CA 3.4Å; C1323-L1329 WeakPolarHBondContact SG-CB 3.49Å; L1329-N1333 HydrophobicContact CD1-CB 3.87Å; L1329-N1333 HydrophobicContact CD2-CB 4Å; L1329-P1348 HydrophobicContact CD1-CG 4.07Å; L1329-P1348 HydrophobicContact CD2-CB 3.7Å; L1329-P1348 HydrophobicContact CD2-CG 4.06Å; L1329-P1348 HydrophobicContact CG-CB 3.99Å; L1329-P1348 HydrophobicContact CG-CG 4.07Å |
| 1330 | T | 76.5 | Confident | 82.3 | Confident | 45 Ų | 45 | 60.7 Ų | 60.7 | 28% | 0.276 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.2 | 176.1 | 60.4 | 0 | 0 | 0 | 0 | 110.4 | P1348 E1349 L1351 | T1330-P1348 CarbonylContact O-C 3.5Å; T1330-P1348 WeakPolarHBondContact O-CA 3.18Å; T1330-P1348 WeakPolarHBondContact O-CB 3.32Å; T1330-E1349 PolarHBondContact N-O 2.88Å; T1330-E1349 PolarHBondContact O-N 3Å; T1330-E1349 WeakPolarHBondContact OG1-CB 3.45Å; T1330-E1349 PolarHBondContact OG1-O 3.32Å; T1330-L1351 HydrophobicContact CG2-CD1 3.98Å; T1330-L1351 HydrophobicContact CG2-CG 4.35Å |
| 1331 | G | 77.2 | Confident | 82.1 | Confident | 71 Ų | 71 | 59.1 Ų | 59.1 | 73% | 0.732 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 98.1 | -158.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1332 | K | 80.1 | Confident | 82 | Confident | 113 Ų | 113 | 63.7 Ų | 63.7 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | trans | -96.6 | 125.8 | -176.4 | -67.3 | 169.9 | -178.1 | 163.6 | 0 | 110.8 | Y1334 N1345 P1348 | K1332-Y1334 HydrophobicContact CB-CD1 4.44Å; K1332-Y1334 HydrophobicContact CB-CE1 4.37Å; K1332-Y1334 PolarHBondContact O-N 2.92Å; K1332-N1345 HydrophobicContact CB-CB 4.45Å; K1332-N1345 HydrophobicContact CD-CB 4.03Å; K1332-N1345 WeakPolarHBondContact CD-OD1 3.29Å; K1332-N1345 WeakPolarHBondContact CE-OD1 3.36Å; K1332-N1345 PolarHBondContact NZ-OD1 3.41Å; K1332-P1348 WeakPolarHBondContact O-CG 3.49Å | ||
| 1333 | N | 85.2 | Confident | 82.1 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 40% | 0.401 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -75.3 | 13.7 | -179.1 | 74.3 | -40.5 | 0 | 0 | 0 | 115.2 | L1320 F1321 L1329 | L1320-N1333 WeakPolarHBondContact CA-O 3.45Å; L1320-N1333 WeakPolarHBondContact CD2-O 3.4Å; F1321-N1333 PolarHBondContact N-O 3.35Å; L1329-N1333 HydrophobicContact CD1-CB 3.87Å; L1329-N1333 HydrophobicContact CD2-CB 4Å |
| 1334 | Y | 88.4 | Confident | 82.3 | Confident | 84 Ų | 84 | 64.3 Ų | 64.3 | 33% | 0.329 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 152.1 | -176.4 | 73.4 | -83.1 | 0 | 0 | 0 | 112.5 | V1319 K1332 I1336 N1345 | V1319-Y1334 CarbonylContact O-C 3.57Å; V1319-Y1334 VanDerWaalsContact O-CA 3.26Å; V1319-Y1334 WeakPolarHBondContact O-CA 3.44Å; K1332-Y1334 HydrophobicContact CB-CD1 4.44Å; K1332-Y1334 HydrophobicContact CB-CE1 4.37Å; K1332-Y1334 PolarHBondContact O-N 2.92Å; Y1334-I1336 HydrophobicContact CD2-CD1 4.38Å; Y1334-I1336 HydrophobicContact CD2-CG1 4.13Å; Y1334-I1336 HydrophobicContact CE2-CD1 4.18Å; Y1334-I1336 HydrophobicContact CE2-CG1 4.34Å; Y1334-N1345 WeakPolarHBondContact CE2-ND2 3.36Å; Y1334-N1345 PolarHBondContact O-ND2 3.04Å |
| 1335 | A | 87.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 147.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1318 V1319 F1321 W1343 N1345 | I1318-A1335 WeakPolarHBondContact CA-O 3.31Å; I1318-A1335 WeakPolarHBondContact CG2-O 3.26Å; V1319-A1335 HydrophobicContact CG2-CB 3.92Å; V1319-A1335 PolarHBondContact N-O 2.93Å; V1319-A1335 PolarHBondContact O-N 2.96Å; F1321-A1335 HydrophobicContact CE2-CB 4.06Å; A1335-W1343 HydrophobicContact CB-CB 4.19Å; A1335-W1343 HydrophobicContact CB-CD2 4.35Å; A1335-W1343 HydrophobicContact CB-CE3 3.79Å; A1335-N1345 HydrophobicContact CB-CB 4.44Å |
| 1336 | I | 88.6 | Confident | 82.1 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 28% | 0.277 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.1 | -177.1 | -51.7 | 177.8 | 0 | 0 | 0 | 109.3 | D1317 I1318 Y1334 N1338 W1343 T1344 | D1317-I1336 CarbonylContact O-C 3.48Å; D1317-I1336 WeakPolarHBondContact O-CA 3.47Å; I1318-I1336 HydrophobicContact CD1-CD1 4.2Å; I1318-I1336 HydrophobicContact CD1-CG1 4.11Å; I1318-I1336 HydrophobicContact CG1-CG1 4.02Å; I1318-I1336 HydrophobicContact CG1-CG2 4.22Å; I1318-I1336 HydrophobicContact CG2-CG1 4.2Å; Y1334-I1336 HydrophobicContact CD2-CD1 4.38Å; Y1334-I1336 HydrophobicContact CD2-CG1 4.13Å; Y1334-I1336 HydrophobicContact CE2-CD1 4.18Å; Y1334-I1336 HydrophobicContact CE2-CG1 4.34Å; I1336-N1338 PolarHBondContact O-N 3.12Å; I1336-W1343 VanDerWaalsContact C-CE3 3.41Å; I1336-W1343 CarbonylContact O-C 3.51Å; I1336-W1343 WeakPolarHBondContact O-CA 3.39Å; I1336-T1344 HydrophobicContact CB-CG2 3.88Å; I1336-T1344 PolarHBondContact N-OG1 3.23Å; I1336-T1344 WeakPolarHBondContact O-CG2 3.36Å; I1336-T1344 PolarHBondContact O-N 3.22Å |
| 1337 | C | 86.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 110.1 | 175.1 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | C1295 Y1314 R1316 D1317 W1343 | C1295-C1337 HydrophobicContact CB-CB 3.94Å; C1295-C1337 WeakPolarHBondContact CB-SG 3.39Å; C1295-C1337 WeakPolarHBondContact SG-CA 3.35Å; C1295-C1337 WeakPolarHBondContact SG-CB 3.06Å; C1295-C1337 CovalentContact SG-SG 2.02Å; C1295-C1337 PolarHBondContact SG-SG 2.78Å; Y1314-C1337 VanDerWaalsContact O-CB 3.27Å; Y1314-C1337 WeakPolarHBondContact O-CB 3.31Å; Y1314-C1337 PolarHBondContact O-SG 2.88Å; R1316-C1337 PolarHBondContact N-O 3.39Å; D1317-C1337 HydrophobicContact CB-CB 4.38Å; D1317-C1337 PolarHBondContact O-N 3.38Å; C1337-W1343 HydrophobicContact CB-CE3 4.3Å; C1337-W1343 HydrophobicContact CB-CH2 4.06Å; C1337-W1343 HydrophobicContact CB-CZ3 3.9Å |
| 1338 | N | 82.8 | Confident | 82.4 | Confident | 44 Ų | 44 | 59.1 Ų | 59.1 | 24% | 0.235 | 33% | 0.327 | C | S | . | . | trans | -84 | 176.9 | -173.7 | 83.9 | 20.3 | 0 | 0 | 0 | 112.9 | I1336 H1340 G1341 I1342 T1344 | I1336-N1338 PolarHBondContact O-N 3.12Å; N1338-H1340 PolarHBondContact O-N 2.02Å; N1338-H1340 WeakPolarHBondContact OD1-CA 3.41Å; N1338-H1340 WeakPolarHBondContact OD1-CB 3.02Å; N1338-H1340 PolarHBondContact OD1-N 3.49Å; N1338-G1341 PolarHBondContact O-N 2.83Å; N1338-G1341 PolarHBondContact OD1-N 3.33Å; N1338-I1342 VanDerWaalsContact CB-O 3.3Å; N1338-I1342 WeakPolarHBondContact CB-O 3Å; N1338-I1342 PolarHBondContact N-O 2.89Å; N1338-I1342 PolarHBondContact ND2-O 2.64Å; N1338-I1342 PolarHBondContact OD1-N 2.77Å; N1338-I1342 PolarHBondContact OD1-O 3.32Å; N1338-T1344 HydrophobicContact CB-CG2 4.3Å | ||
| 1339 | K | 77.7 | Confident | 82.7 | Confident | 136 Ų | 136 | 62.5 Ų | 62.5 | 59% | 0.591 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -7.8 | -175.7 | 73.6 | -178.6 | -174.7 | -178 | 0 | 115.1 | Y1315 | Y1315-K1339 HydrophobicContact CD2-CB 4.27Å; Y1315-K1339 HydrophobicContact CE2-CB 3.91Å |
| 1340 | H | 77.4 | Confident | 82.9 | Confident | 131 Ų | 131 | 60.8 Ų | 60.8 | 61% | 0.606 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 1.8 | -179.7 | -58.2 | -89 | 0 | 0 | 0 | 113 | N1338 I1342 | N1338-H1340 PolarHBondContact O-N 2.02Å; N1338-H1340 WeakPolarHBondContact OD1-CA 3.41Å; N1338-H1340 WeakPolarHBondContact OD1-CB 3.02Å; N1338-H1340 PolarHBondContact OD1-N 3.49Å; H1340-I1342 HydrophobicContact CB-CD1 4.15Å; H1340-I1342 HydrophobicContact CB-CG1 4.34Å |
| 1341 | G | 80.5 | Confident | 83.1 | Confident | 13 Ų | 13 | 61.8 Ų | 61.8 | 13% | 0.134 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 81.2 | 17.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1294 C1295 N1338 | R1294-G1341 VanDerWaalsContact O-CA 3.32Å; R1294-G1341 WeakPolarHBondContact O-CA 3.25Å; C1295-G1341 WeakPolarHBondContact CA-O 3.24Å; C1295-G1341 VanDerWaalsContact SG-CA 3.59Å; C1295-G1341 PolarHBondContact SG-O 3.43Å; C1295-G1341 VanDerWaalsContact SG-O 3.33Å; N1338-G1341 PolarHBondContact O-N 2.83Å; N1338-G1341 PolarHBondContact OD1-N 3.33Å |
| 1342 | I | 84.9 | Confident | 83.3 | Confident | 103 Ų | 103 | 63.4 Ų | 63.4 | 53% | 0.528 | 32% | 0.321 | S | S | . | . | trans | -113 | 143 | -176.9 | -55.9 | 169.5 | 0 | 0 | 0 | 109.9 | N1338 H1340 | N1338-I1342 VanDerWaalsContact CB-O 3.3Å; N1338-I1342 WeakPolarHBondContact CB-O 3Å; N1338-I1342 PolarHBondContact N-O 2.89Å; N1338-I1342 PolarHBondContact ND2-O 2.64Å; N1338-I1342 PolarHBondContact OD1-N 2.77Å; N1338-I1342 PolarHBondContact OD1-O 3.32Å; H1340-I1342 HydrophobicContact CB-CD1 4.15Å; H1340-I1342 HydrophobicContact CB-CG1 4.34Å | ||
| 1343 | W | 87 | Confident | 83.6 | Confident | 34 Ų | 34 | 59.5 Ų | 59.5 | 13% | 0.129 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -74.4 | 135.7 | 175.2 | -69.2 | 107 | 0 | 0 | 0 | 111.9 | C1295 T1296 P1298 Y1313 V1319 A1335 I1336 C1337 N1345 | C1295-W1343 HydrophobicContact CB-CZ2 3.88Å; T1296-W1343 PolarHBondContact O-NE1 2.85Å; P1298-W1343 HydrophobicContact CB-CD2 4.42Å; P1298-W1343 HydrophobicContact CB-CZ2 4.41Å; P1298-W1343 HydrophobicContact CG-CZ2 3.98Å; Y1313-W1343 AromaticContact CD1-CH2 3.71Å; Y1313-W1343 HydrophobicContact CD1-CH2 3.71Å; Y1313-W1343 HydrophobicContact CD1-CZ2 4.06Å; Y1313-W1343 HydrophobicContact CD2-CZ2 4.04Å; Y1313-W1343 HydrophobicContact CE1-CH2 4.36Å; Y1313-W1343 AromaticContact CG-CH2 3.78Å; Y1313-W1343 HydrophobicContact CG-CH2 3.78Å; Y1313-W1343 AromaticContact CG-CZ2 3.66Å; Y1313-W1343 HydrophobicContact CG-CZ2 3.66Å; V1319-W1343 HydrophobicContact CB-CZ3 4.5Å; V1319-W1343 HydrophobicContact CG1-CH2 3.79Å; V1319-W1343 HydrophobicContact CG1-CZ2 4.47Å; V1319-W1343 HydrophobicContact CG1-CZ3 4.18Å; V1319-W1343 HydrophobicContact CG2-CE3 4.1Å; V1319-W1343 HydrophobicContact CG2-CH2 4.11Å; V1319-W1343 HydrophobicContact CG2-CZ3 3.78Å; A1335-W1343 HydrophobicContact CB-CB 4.19Å; A1335-W1343 HydrophobicContact CB-CD2 4.35Å; A1335-W1343 HydrophobicContact CB-CE3 3.79Å; I1336-W1343 VanDerWaalsContact C-CE3 3.41Å; I1336-W1343 CarbonylContact O-C 3.51Å; I1336-W1343 WeakPolarHBondContact O-CA 3.39Å; C1337-W1343 HydrophobicContact CB-CE3 4.3Å; C1337-W1343 HydrophobicContact CB-CH2 4.06Å; C1337-W1343 HydrophobicContact CB-CZ3 3.9Å; W1343-N1345 PolarHBondContact O-N 2.92Å |
| 1344 | T | 87 | Confident | 83.5 | Confident | 65 Ų | 65 | 56 Ų | 56 | 40% | 0.399 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -67.1 | -17.7 | -176.7 | 53.3 | 0 | 0 | 0 | 0 | 115.6 | I1336 N1338 | I1336-T1344 HydrophobicContact CB-CG2 3.88Å; I1336-T1344 PolarHBondContact N-OG1 3.23Å; I1336-T1344 WeakPolarHBondContact O-CG2 3.36Å; I1336-T1344 PolarHBondContact O-N 3.22Å; N1338-T1344 HydrophobicContact CB-CG2 4.3Å |
| 1345 | N | 82.6 | Confident | 83.4 | Confident | 22 Ų | 22 | 60.5 Ų | 60.5 | 12% | 0.118 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -143.9 | 146.4 | -178.4 | -49.9 | -64 | 0 | 0 | 0 | 108.3 | K1332 Y1334 A1335 W1343 | K1332-N1345 HydrophobicContact CB-CB 4.45Å; K1332-N1345 HydrophobicContact CD-CB 4.03Å; K1332-N1345 WeakPolarHBondContact CD-OD1 3.29Å; K1332-N1345 WeakPolarHBondContact CE-OD1 3.36Å; K1332-N1345 PolarHBondContact NZ-OD1 3.41Å; Y1334-N1345 WeakPolarHBondContact CE2-ND2 3.36Å; Y1334-N1345 PolarHBondContact O-ND2 3.04Å; A1335-N1345 HydrophobicContact CB-CB 4.44Å; W1343-N1345 PolarHBondContact O-N 2.92Å |
| 1346 | S | 79.2 | Confident | 83.4 | Confident | 105 Ų | 105 | 63.3 Ų | 63.3 | 73% | 0.734 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 161.8 | 164.6 | 41.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1347 | A | 78.8 | Confident | 83.2 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 140.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | P1301 F1321 | P1301-A1347 HydrophobicContact CG-CB 4.01Å; F1321-A1347 HydrophobicContact CD1-CB 4.35Å; F1321-A1347 HydrophobicContact CE1-CB 3.68Å; F1321-A1347 HydrophobicContact CZ-CB 3.78Å |
| 1348 | P | 83.2 | Confident | 83.2 | Confident | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -80 | 149.3 | -179.9 | 32.2 | -34.4 | 0 | 0 | 0 | 112.5 | P1301 F1321 L1329 T1330 K1332 | P1301-P1348 WeakPolarHBondContact CG-O 3.27Å; F1321-P1348 HydrophobicContact CB-CG 3.45Å; F1321-P1348 VanDerWaalsContact CB-CG 3.45Å; F1321-P1348 HydrophobicContact CD1-CG 4.48Å; F1321-P1348 HydrophobicContact CD2-CG 4Å; F1321-P1348 HydrophobicContact CG-CG 3.76Å; L1329-P1348 HydrophobicContact CD1-CG 4.07Å; L1329-P1348 HydrophobicContact CD2-CB 3.7Å; L1329-P1348 HydrophobicContact CD2-CG 4.06Å; L1329-P1348 HydrophobicContact CG-CB 3.99Å; L1329-P1348 HydrophobicContact CG-CG 4.07Å; T1330-P1348 CarbonylContact O-C 3.5Å; T1330-P1348 WeakPolarHBondContact O-CA 3.18Å; T1330-P1348 WeakPolarHBondContact O-CB 3.32Å; K1332-P1348 WeakPolarHBondContact O-CG 3.49Å |
| 1349 | E | 84.4 | Confident | 83.3 | Confident | 123 Ų | 123 | 66.9 Ų | 66.9 | 58% | 0.575 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 130.8 | 176.7 | -72.3 | 173.5 | -154.7 | 0 | 0 | 111.3 | T1330 L1351 | T1330-E1349 PolarHBondContact N-O 2.88Å; T1330-E1349 PolarHBondContact O-N 3Å; T1330-E1349 WeakPolarHBondContact OG1-CB 3.45Å; T1330-E1349 PolarHBondContact OG1-O 3.32Å; E1349-L1351 HydrophobicContact CB-CD2 4.23Å; E1349-L1351 HydrophobicContact CB-CG 4.46Å |
| 1350 | C | 85.8 | Confident | 83.6 | Confident | 16 Ų | 16 | 61 Ų | 61 | 11% | 0.108 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 100.2 | 171.1 | -70.4 | 0 | 0 | 0 | 0 | 109.4 | C1323 Y1327 L1328 | C1323-C1350 WeakPolarHBondContact CA-SG 3.44Å; C1323-C1350 HydrophobicContact CB-CB 3.93Å; C1323-C1350 WeakPolarHBondContact CB-SG 3.34Å; C1323-C1350 VanDerWaalsContact SG-CA 3.5Å; C1323-C1350 WeakPolarHBondContact SG-CB 3.17Å; C1323-C1350 CovalentContact SG-SG 2.04Å; C1323-C1350 PolarHBondContact SG-SG 3.43Å; Y1327-C1350 HydrophobicContact CD1-CB 4.25Å; Y1327-C1350 WeakPolarHBondContact CD1-O 3.39Å; Y1327-C1350 HydrophobicContact CG-CB 4.33Å; L1328-C1350 WeakPolarHBondContact O-CA 3.39Å |
| 1351 | L | 79.6 | Confident | 84 | Confident | 66 Ų | 66 | 60 Ų | 60 | 35% | 0.346 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 139.9 | -176.4 | -59.5 | -177.1 | 0 | 0 | 0 | 111.7 | Y1327 L1328 T1330 E1349 | Y1327-L1351 CarbonylContact C-O 3.57Å; Y1327-L1351 VanDerWaalsContact CA-O 3.29Å; Y1327-L1351 WeakPolarHBondContact CA-O 3.16Å; L1328-L1351 PolarHBondContact N-O 3Å; L1328-L1351 PolarHBondContact O-N 3.27Å; T1330-L1351 HydrophobicContact CG2-CD1 3.98Å; T1330-L1351 HydrophobicContact CG2-CG 4.35Å; E1349-L1351 HydrophobicContact CB-CD2 4.23Å; E1349-L1351 HydrophobicContact CB-CG 4.46Å |
| 1352 | R | 82.7 | Confident | 84.2 | Confident | 106 Ų | 106 | 64.7 Ų | 64.7 | 40% | 0.4 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 152.4 | 170.1 | -69.5 | -170.7 | 174.3 | -139.1 | -0.1 | 110.8 | Y1327 T1401 | Y1327-R1352 HydrophobicContact CD1-CG 3.66Å; Y1327-R1352 HydrophobicContact CE1-CG 3.44Å; Y1327-R1352 VanDerWaalsContact CE1-CG 3.44Å; Y1327-R1352 PolarHBondContact OH-NE 2.96Å; Y1327-R1352 PolarHBondContact OH-NH2 2.7Å; R1352-T1401 WeakPolarHBondContact CD-O 3.43Å; R1352-T1401 PolarHBondContact NH1-O 3.43Å |
| 1353 | F | 85 | Confident | 84.3 | Confident | 31 Ų | 31 | 60 Ų | 60 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 164.6 | 177.9 | 68.5 | -87.8 | 0 | 0 | 0 | 111.1 | L1328 W1355 Y1373 | L1328-F1353 HydrophobicContact CB-CD1 4.16Å; F1353-W1355 AromaticContact CE2-CD2 3.89Å; F1353-W1355 HydrophobicContact CE2-CD2 3.89Å; F1353-W1355 AromaticContact CE2-CE2 3.55Å; F1353-W1355 HydrophobicContact CE2-CE3 4.2Å; F1353-W1355 AromaticContact CE2-CH2 3.93Å; F1353-W1355 HydrophobicContact CE2-CH2 3.93Å; F1353-W1355 AromaticContact CE2-CZ2 3.59Å; F1353-W1355 HydrophobicContact CE2-CZ2 3.59Å; F1353-W1355 HydrophobicContact CE2-CZ3 4.21Å; F1353-W1355 AromaticContact CE2-NE1 3.98Å; F1353-W1355 HydrophobicContact CZ-CH2 4.19Å; F1353-W1355 AromaticContact CZ-CZ2 3.73Å; F1353-W1355 HydrophobicContact CZ-CZ2 3.73Å; F1353-Y1373 CarbonylContact C-O 3.57Å; F1353-Y1373 VanDerWaalsContact CA-O 3.31Å; F1353-Y1373 WeakPolarHBondContact CA-O 3.36Å; F1353-Y1373 WeakPolarHBondContact CB-O 3.31Å |
| 1354 | C | 84.9 | Confident | 84.4 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 141.1 | 173.8 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | Y1372 Y1373 C1398 G1402 W1404 | C1354-Y1372 WeakPolarHBondContact O-CA 3.32Å; C1354-Y1373 PolarHBondContact N-O 2.99Å; C1354-Y1373 PolarHBondContact O-N 2.89Å; C1354-C1398 HydrophobicContact CB-CB 3.79Å; C1354-C1398 WeakPolarHBondContact CB-SG 3.08Å; C1354-C1398 PolarHBondContact N-SG 3.14Å; C1354-C1398 VanDerWaalsContact N-SG 3.43Å; C1354-C1398 WeakPolarHBondContact SG-CA 3.41Å; C1354-C1398 WeakPolarHBondContact SG-CB 3.38Å; C1354-C1398 CovalentContact SG-SG 2.04Å; C1354-C1398 PolarHBondContact SG-SG 2.84Å; C1354-G1402 VanDerWaalsContact SG-C 3.51Å; C1354-W1404 HydrophobicContact CB-CD2 4.33Å; C1354-W1404 HydrophobicContact CB-CH2 4.45Å; C1354-W1404 HydrophobicContact CB-CZ2 3.64Å |
| 1355 | W | 85.3 | Confident | 84.4 | Confident | 177 Ų | 177 | 57.9 Ų | 57.9 | 67% | 0.67 | 30% | 0.3 | S | S | * | . | trans | -76.6 | 160.2 | 167.3 | -62.4 | 108 | 0 | 0 | 0 | 111.1 | F1353 A1371 W1404 | F1353-W1355 AromaticContact CE2-CD2 3.89Å; F1353-W1355 HydrophobicContact CE2-CD2 3.89Å; F1353-W1355 AromaticContact CE2-CE2 3.55Å; F1353-W1355 HydrophobicContact CE2-CE3 4.2Å; F1353-W1355 AromaticContact CE2-CH2 3.93Å; F1353-W1355 HydrophobicContact CE2-CH2 3.93Å; F1353-W1355 AromaticContact CE2-CZ2 3.59Å; F1353-W1355 HydrophobicContact CE2-CZ2 3.59Å; F1353-W1355 HydrophobicContact CE2-CZ3 4.21Å; F1353-W1355 AromaticContact CE2-NE1 3.98Å; F1353-W1355 HydrophobicContact CZ-CH2 4.19Å; F1353-W1355 AromaticContact CZ-CZ2 3.73Å; F1353-W1355 HydrophobicContact CZ-CZ2 3.73Å; W1355-A1371 WeakPolarHBondContact CZ3-O 3.41Å; W1355-W1404 WeakPolarHBondContact O-CZ2 3.21Å; W1355-W1404 PolarHBondContact O-NE1 3.15Å | ||
| 1356 | F | 87 | Confident | 84.4 | Confident | 60 Ų | 60 | 61 Ų | 61 | 26% | 0.263 | 32% | 0.32 | S | S | . | . | trans | -60.8 | 129.4 | 176.6 | -175.5 | -116.8 | 0 | 0 | 0 | 111.8 | Q1359 P1369 Y1373 I1379 | F1356-Q1359 HydrophobicContact CE1-CG 4.28Å; F1356-Q1359 HydrophobicContact CZ-CG 3.95Å; F1356-P1369 HydrophobicContact CD1-CB 4.13Å; F1356-P1369 HydrophobicContact CD1-CG 4.46Å; F1356-P1369 HydrophobicContact CD2-CB 4.03Å; F1356-P1369 HydrophobicContact CE1-CB 4.12Å; F1356-P1369 HydrophobicContact CE1-CG 3.96Å; F1356-P1369 HydrophobicContact CE2-CB 4.04Å; F1356-P1369 HydrophobicContact CE2-CG 4.11Å; F1356-P1369 HydrophobicContact CG-CB 4.09Å; F1356-P1369 HydrophobicContact CZ-CB 4.08Å; F1356-P1369 HydrophobicContact CZ-CG 3.77Å; F1356-Y1373 HydrophobicContact CB-CE2 4.07Å; F1356-Y1373 AromaticContact CD2-CE2 3.81Å; F1356-Y1373 HydrophobicContact CD2-CE2 3.81Å; F1356-Y1373 AromaticContact CD2-CZ 3.93Å; F1356-Y1373 WeakPolarHBondContact CD2-OH 3.01Å; F1356-Y1373 HydrophobicContact CG-CE2 4.44Å; F1356-I1379 HydrophobicContact CD2-CD1 3.9Å; F1356-I1379 HydrophobicContact CE2-CD1 4.01Å | ||
| 1357 | P | 85.3 | Confident | 84.2 | Confident | 44 Ų | 44 | 58 Ų | 58 | 29% | 0.286 | 30% | 0.3 | S | S | . | . | trans | -85.1 | -13.3 | -174.3 | 30.9 | -32.2 | 0 | 0 | 0 | 115 | I1379 T1396 W1404 V1408 | P1357-I1379 VanDerWaalsContact CD-CD1 3.47Å; P1357-I1379 HydrophobicContact CG-CD1 3.84Å; P1357-T1396 HydrophobicContact CG-CG2 4.43Å; P1357-W1404 HydrophobicContact CB-CD2 4.49Å; P1357-W1404 HydrophobicContact CB-CG 4.18Å; P1357-W1404 HydrophobicContact CG-CD2 4.07Å; P1357-W1404 HydrophobicContact CG-CG 4.27Å; P1357-W1404 HydrophobicContact CG-CZ2 4.26Å; P1357-V1408 HydrophobicContact CB-CG2 4.11Å; P1357-V1408 VanDerWaalsContact O-CG2 3.31Å; P1357-V1408 WeakPolarHBondContact O-CG2 3.31Å | ||
| 1358 | G | 86.4 | Confident | 84.1 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 24% | 0.237 | 32% | 0.318 | C | S | . | . | trans | 115.8 | 174.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y1381 | G1358-Y1381 WeakPolarHBondContact O-CE1 3.5Å; G1358-Y1381 PolarHBondContact O-OH 3.32Å | ||
| 1359 | Q | 84.3 | Confident | 84 | Confident | 106 Ų | 106 | 64.6 Ų | 64.6 | 50% | 0.495 | 34% | 0.339 | S | S | . | . | trans | -111.6 | 149.9 | 176.6 | -73.5 | 167.2 | -63.6 | 0 | 0 | 111 | F1356 D1364 | F1356-Q1359 HydrophobicContact CE1-CG 4.28Å; F1356-Q1359 HydrophobicContact CZ-CG 3.95Å; Q1359-D1364 PolarHBondContact NE2-OD1 3.18Å | ||
| 1360 | P | 84.8 | Confident | 83.7 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 8% | 0.078 | 33% | 0.331 | C | S | . | . | trans | -70 | 149.4 | 173.6 | -16.9 | 31.4 | 0 | 0 | 0 | 112.4 | F1362 G1363 Y1381 V1408 P1409 | P1360-F1362 PolarHBondContact O-N 3.1Å; P1360-G1363 PolarHBondContact O-N 2.6Å; P1360-G1363 VanDerWaalsContact O-N 3.12Å; P1360-Y1381 VanDerWaalsContact CD-CD1 3.46Å; P1360-Y1381 HydrophobicContact CG-CD1 3.65Å; P1360-Y1381 HydrophobicContact CG-CE1 4.16Å; P1360-Y1381 HydrophobicContact CG-CG 4.21Å; P1360-V1408 HydrophobicContact CG-CG1 3.96Å; P1360-P1409 VanDerWaalsContact CB-O 3.3Å; P1360-P1409 WeakPolarHBondContact CB-O 3.26Å; P1360-P1409 HydrophobicContact CG-CG 4.27Å | ||
| 1361 | V | 84.5 | Confident | 83 | Confident | 110 Ų | 110 | 66.1 Ų | 66.1 | 67% | 0.667 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 130.5 | 162.9 | -169.7 | 0 | 0 | 0 | 0 | 108.5 | G1363 C1411 | V1361-G1363 PolarHBondContact O-N 2.84Å; V1361-C1411 WeakPolarHBondContact O-CB 3.38Å |
| 1362 | F | 86.3 | Confident | 83.1 | Confident | 111 Ų | 111 | 68.1 Ų | 68.1 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 17 | -170.5 | -47.7 | -64.5 | 0 | 0 | 0 | 115.6 | P1360 I1384 Y1388 C1411 | P1360-F1362 PolarHBondContact O-N 3.1Å; F1362-I1384 PolarHBondContact O-N 2.79Å; F1362-Y1388 HydrophobicContact CB-CD1 3.96Å; F1362-Y1388 HydrophobicContact CB-CD2 4.24Å; F1362-Y1388 HydrophobicContact CB-CE1 3.9Å; F1362-Y1388 HydrophobicContact CB-CE2 4.18Å; F1362-Y1388 HydrophobicContact CB-CG 4.14Å; F1362-Y1388 HydrophobicContact CD1-CE1 4.22Å; F1362-Y1388 HydrophobicContact CD1-CE2 4.4Å; F1362-Y1388 AromaticContact CD1-CZ 3.84Å; F1362-Y1388 AromaticContact CD2-CD1 3.96Å; F1362-Y1388 HydrophobicContact CD2-CD1 3.96Å; F1362-Y1388 AromaticContact CD2-CE1 3.35Å; F1362-Y1388 HydrophobicContact CD2-CE1 3.35Å; F1362-Y1388 AromaticContact CD2-CZ 3.85Å; F1362-Y1388 AromaticContact CE2-CE1 3.87Å; F1362-Y1388 HydrophobicContact CE2-CE1 3.87Å; F1362-Y1388 HydrophobicContact CG-CD1 4.11Å; F1362-Y1388 AromaticContact CG-CE1 3.56Å; F1362-Y1388 HydrophobicContact CG-CE1 3.56Å; F1362-Y1388 HydrophobicContact CG-CE2 4.22Å; F1362-Y1388 AromaticContact CG-CZ 3.62Å; F1362-C1411 HydrophobicContact CB-CB 4.17Å |
| 1363 | G | 86.5 | Confident | 83.3 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 6% | 0.062 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 171.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1360 V1361 Y1382 | P1360-G1363 PolarHBondContact O-N 2.6Å; P1360-G1363 VanDerWaalsContact O-N 3.12Å; V1361-G1363 PolarHBondContact O-N 2.84Å; G1363-Y1382 CarbonylContact C-O 3.5Å; G1363-Y1382 WeakPolarHBondContact CA-O 3.5Å |
| 1364 | D | 88.6 | Confident | 83.2 | Confident | 45 Ų | 45 | 65.2 Ų | 65.2 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 176.5 | -176 | -171.8 | 20.9 | 0 | 0 | 0 | 110.1 | Q1359 Y1381 Y1382 I1384 | Q1359-D1364 PolarHBondContact NE2-OD1 3.18Å; D1364-Y1381 CarbonylContact O-C 3.42Å; D1364-Y1381 VanDerWaalsContact O-CA 3.32Å; D1364-Y1381 WeakPolarHBondContact O-CA 3.48Å; D1364-Y1382 HydrophobicContact CB-CD2 4.45Å; D1364-Y1382 HydrophobicContact CB-CE1 4.42Å; D1364-Y1382 HydrophobicContact CB-CE2 3.72Å; D1364-Y1382 PolarHBondContact N-O 3.11Å; D1364-Y1382 PolarHBondContact O-N 2.86Å; D1364-Y1382 PolarHBondContact OD2-OH 3.23Å; D1364-I1384 HydrophobicContact CB-CD1 4.28Å; D1364-I1384 HydrophobicContact CB-CG1 4.06Å |
| 1365 | T | 87.8 | Confident | 83.1 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 5% | 0.049 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 141 | -173.4 | 45.9 | 0 | 0 | 0 | 0 | 112.6 | S1367 I1379 V1380 Y1381 | T1365-S1367 PolarHBondContact O-N 2.84Å; T1365-S1367 PolarHBondContact OG1-O 3.26Å; T1365-S1367 VanDerWaalsContact OG1-O 3.14Å; T1365-I1379 HydrophobicContact CG2-CG2 3.48Å; T1365-I1379 VanDerWaalsContact CG2-CG2 3.48Å; T1365-V1380 VanDerWaalsContact CA-O 3.3Å; T1365-V1380 WeakPolarHBondContact CA-O 3.32Å; T1365-Y1381 HydrophobicContact CG2-CD1 3.37Å; T1365-Y1381 HydrophobicContact CG2-CE1 3.26Å; T1365-Y1381 HydrophobicContact CG2-CG 4.35Å |
| 1366 | T | 82.3 | Confident | 83 | Confident | 87 Ų | 87 | 62.1 Ų | 62.1 | 53% | 0.534 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -65.5 | -0.8 | -177.7 | 64.8 | 0 | 0 | 0 | 0 | 115.4 | V1380 Y1382 | T1366-V1380 HydrophobicContact CG2-CB 3.83Å; T1366-V1380 HydrophobicContact CG2-CG1 3.89Å; T1366-V1380 PolarHBondContact N-O 2.8Å; T1366-Y1382 HydrophobicContact CG2-CD1 3.86Å; T1366-Y1382 HydrophobicContact CG2-CE1 4.17Å |
| 1367 | S | 75.8 | Confident | 83 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 31% | 0.308 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -152 | 149 | 177.3 | 54.2 | 0 | 0 | 0 | 0 | 110.1 | T1365 | T1365-S1367 PolarHBondContact O-N 2.84Å; T1365-S1367 PolarHBondContact OG1-O 3.26Å; T1365-S1367 VanDerWaalsContact OG1-O 3.14Å |
| 1368 | P | 76.6 | Confident | 83.2 | Confident | 109 Ų | 109 | 62.1 Ų | 62.1 | 71% | 0.708 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 149.6 | 179.6 | -24.8 | 34.9 | 0 | 0 | 0 | 113.5 | K1370 | P1368-K1370 PolarHBondContact O-N 3.45Š|
| 1369 | P | 80.2 | Confident | 83.3 | Confident | 71 Ų | 71 | 61 Ų | 61 | 46% | 0.461 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 122 | 176.6 | -26.8 | 35.6 | 0 | 0 | 0 | 113.2 | F1356 Y1373 | F1356-P1369 HydrophobicContact CD1-CB 4.13Å; F1356-P1369 HydrophobicContact CD1-CG 4.46Å; F1356-P1369 HydrophobicContact CD2-CB 4.03Å; F1356-P1369 HydrophobicContact CE1-CB 4.12Å; F1356-P1369 HydrophobicContact CE1-CG 3.96Å; F1356-P1369 HydrophobicContact CE2-CB 4.04Å; F1356-P1369 HydrophobicContact CE2-CG 4.11Å; F1356-P1369 HydrophobicContact CG-CB 4.09Å; F1356-P1369 HydrophobicContact CZ-CB 4.08Å; F1356-P1369 HydrophobicContact CZ-CG 3.77Å; P1369-Y1373 WeakPolarHBondContact CA-OH 3.38Å |
| 1370 | K | 78.1 | Confident | 83.5 | Confident | 93 Ų | 93 | 58.3 Ų | 58.3 | 40% | 0.404 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 150.2 | 168.8 | -55.5 | -178.5 | -168.1 | 176.3 | 0 | 109.8 | P1368 Y1372 Y1373 D1377 | P1368-K1370 PolarHBondContact O-N 3.45Å; K1370-Y1372 VanDerWaalsContact CB-O 3.24Å; K1370-Y1372 WeakPolarHBondContact CB-O 3.49Å; K1370-Y1372 PolarHBondContact O-N 3.31Å; K1370-Y1373 HydrophobicContact CB-CD1 4.43Å; K1370-Y1373 HydrophobicContact CB-CD2 4.22Å; K1370-Y1373 HydrophobicContact CB-CE1 4.02Å; K1370-Y1373 HydrophobicContact CB-CE2 3.75Å; K1370-Y1373 HydrophobicContact CD-CD1 3.8Å; K1370-Y1373 HydrophobicContact CD-CE1 3.73Å; K1370-Y1373 HydrophobicContact CD-CG 4.4Å; K1370-Y1373 HydrophobicContact CG-CD1 4.32Å; K1370-Y1373 HydrophobicContact CG-CE1 3.79Å; K1370-Y1373 HydrophobicContact CG-CE2 4.43Å; K1370-Y1373 PolarHBondContact N-OH 2.88Å; K1370-Y1373 WeakPolarHBondContact O-CE2 3.24Å; K1370-D1377 IonicContact NZ-OD1 2.67Å; K1370-D1377 PolarHBondContact NZ-OD1 2.92Å; K1370-D1377 IonicContact NZ-OD2 3.77Å; K1370-D1377 PolarHBondContact NZ-OD2 3.49Å |
| 1371 | A | 71.7 | Confident | 83.9 | Confident | 77 Ų | 77 | 58.1 Ų | 58.1 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -63.8 | -29.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | W1355 | W1355-A1371 WeakPolarHBondContact CZ3-O 3.41Š|
| 1372 | Y | 82 | Confident | 84.1 | Confident | 108 Ų | 108 | 57.6 Ų | 57.6 | 42% | 0.424 | 33% | 0.328 | S | S | . | . | trans | -150.2 | 156.8 | 172.9 | 59 | -91.3 | 0 | 0 | 0 | 110.2 | L1328 C1354 K1370 L1374 | L1328-Y1372 HydrophobicContact CD2-CD2 4.14Å; L1328-Y1372 HydrophobicContact CD2-CE2 3.66Å; C1354-Y1372 WeakPolarHBondContact O-CA 3.32Å; K1370-Y1372 VanDerWaalsContact CB-O 3.24Å; K1370-Y1372 WeakPolarHBondContact CB-O 3.49Å; K1370-Y1372 PolarHBondContact O-N 3.31Å; Y1372-L1374 HydrophobicContact CD2-CD2 4.37Å; Y1372-L1374 HydrophobicContact CE2-CD2 4.33Å | ||
| 1373 | Y | 85.6 | Confident | 84.4 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133.9 | 178 | -66.9 | -97.1 | 0 | 0 | 0 | 109.3 | F1353 C1354 F1356 P1369 K1370 D1377 I1379 W1404 | F1353-Y1373 CarbonylContact C-O 3.57Å; F1353-Y1373 VanDerWaalsContact CA-O 3.31Å; F1353-Y1373 WeakPolarHBondContact CA-O 3.36Å; F1353-Y1373 WeakPolarHBondContact CB-O 3.31Å; C1354-Y1373 PolarHBondContact N-O 2.99Å; C1354-Y1373 PolarHBondContact O-N 2.89Å; F1356-Y1373 HydrophobicContact CB-CE2 4.07Å; F1356-Y1373 AromaticContact CD2-CE2 3.81Å; F1356-Y1373 HydrophobicContact CD2-CE2 3.81Å; F1356-Y1373 AromaticContact CD2-CZ 3.93Å; F1356-Y1373 WeakPolarHBondContact CD2-OH 3.01Å; F1356-Y1373 HydrophobicContact CG-CE2 4.44Å; P1369-Y1373 WeakPolarHBondContact CA-OH 3.38Å; K1370-Y1373 HydrophobicContact CB-CD1 4.43Å; K1370-Y1373 HydrophobicContact CB-CD2 4.22Å; K1370-Y1373 HydrophobicContact CB-CE1 4.02Å; K1370-Y1373 HydrophobicContact CB-CE2 3.75Å; K1370-Y1373 HydrophobicContact CD-CD1 3.8Å; K1370-Y1373 HydrophobicContact CD-CE1 3.73Å; K1370-Y1373 HydrophobicContact CD-CG 4.4Å; K1370-Y1373 HydrophobicContact CG-CD1 4.32Å; K1370-Y1373 HydrophobicContact CG-CE1 3.79Å; K1370-Y1373 HydrophobicContact CG-CE2 4.43Å; K1370-Y1373 PolarHBondContact N-OH 2.88Å; K1370-Y1373 WeakPolarHBondContact O-CE2 3.24Å; Y1373-D1377 VanDerWaalsContact CA-OD2 3.31Å; Y1373-D1377 WeakPolarHBondContact CA-OD2 3.25Å; Y1373-D1377 HydrophobicContact CD1-CB 3.96Å; Y1373-D1377 HydrophobicContact CG-CB 4.46Å; Y1373-I1379 HydrophobicContact CD1-CD1 4.33Å; Y1373-I1379 HydrophobicContact CD1-CG1 4.19Å; Y1373-I1379 HydrophobicContact CE1-CD1 3.81Å; Y1373-I1379 HydrophobicContact CE1-CG1 3.64Å; Y1373-I1379 HydrophobicContact CE2-CD1 4.04Å; Y1373-W1404 AromaticContact CD1-CH2 3.87Å; Y1373-W1404 HydrophobicContact CD1-CH2 3.87Å; Y1373-W1404 HydrophobicContact CD1-CZ2 4.45Å; Y1373-W1404 AromaticContact CD2-CH2 3.98Å; Y1373-W1404 HydrophobicContact CD2-CH2 3.98Å; Y1373-W1404 AromaticContact CD2-CZ2 3.72Å; Y1373-W1404 HydrophobicContact CD2-CZ2 3.72Å; Y1373-W1404 HydrophobicContact CE2-CZ2 4.41Å; Y1373-W1404 AromaticContact CG-CH2 3.56Å; Y1373-W1404 HydrophobicContact CG-CH2 3.56Å; Y1373-W1404 AromaticContact CG-CZ2 3.75Å; Y1373-W1404 HydrophobicContact CG-CZ2 3.75Å |
| 1374 | L | 83.5 | Confident | 84.4 | Confident | 74 Ų | 74 | 59 Ų | 59 | 39% | 0.387 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 159.7 | -179.5 | -64.3 | 177.5 | 0 | 0 | 0 | 111 | L1328 Y1372 G1376 D1377 C1398 | L1328-L1374 HydrophobicContact CD2-CD2 4.26Å; Y1372-L1374 HydrophobicContact CD2-CD2 4.37Å; Y1372-L1374 HydrophobicContact CE2-CD2 4.33Å; L1374-G1376 PolarHBondContact O-N 3.07Å; L1374-G1376 VanDerWaalsContact O-N 3.13Å; L1374-D1377 PolarHBondContact N-OD2 2.89Å; L1374-D1377 VanDerWaalsContact O-CB 3.32Å; L1374-D1377 WeakPolarHBondContact O-CB 3.45Å; L1374-D1377 PolarHBondContact O-N 2.83Å; L1374-C1398 WeakPolarHBondContact O-CB 3.29Å |
| 1375 | V | 82.2 | Confident | 84.2 | Confident | 78 Ų | 78 | 59 Ų | 59 | 47% | 0.473 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 122.1 | 173.1 | 177.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 1376 | G | 83.8 | Confident | 83.9 | Confident | 36 Ų | 36 | 65.3 Ų | 65.3 | 37% | 0.371 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.8 | -20.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1374 C1398 | L1374-G1376 PolarHBondContact O-N 3.07Å; L1374-G1376 VanDerWaalsContact O-N 3.13Å; G1376-C1398 PolarHBondContact N-O 3.41Å |
| 1377 | D | 87.4 | Confident | 83.9 | Confident | 42 Ų | 42 | 68.4 Ų | 68.4 | 23% | 0.225 | 38% | 0.382 | C | S | . | . | trans | -56.5 | 142.2 | 172.6 | -97.3 | -30.5 | 0 | 0 | 0 | 110.4 | K1370 Y1373 L1374 R1397 C1398 | K1370-D1377 IonicContact NZ-OD1 2.67Å; K1370-D1377 PolarHBondContact NZ-OD1 2.92Å; K1370-D1377 IonicContact NZ-OD2 3.77Å; K1370-D1377 PolarHBondContact NZ-OD2 3.49Å; Y1373-D1377 VanDerWaalsContact CA-OD2 3.31Å; Y1373-D1377 WeakPolarHBondContact CA-OD2 3.25Å; Y1373-D1377 HydrophobicContact CD1-CB 3.96Å; Y1373-D1377 HydrophobicContact CG-CB 4.46Å; L1374-D1377 PolarHBondContact N-OD2 2.89Å; L1374-D1377 VanDerWaalsContact O-CB 3.32Å; L1374-D1377 WeakPolarHBondContact O-CB 3.45Å; L1374-D1377 PolarHBondContact O-N 2.83Å; D1377-R1397 CarbonylContact O-C 3.6Å; D1377-R1397 WeakPolarHBondContact O-CA 3.01Å; D1377-C1398 PolarHBondContact O-N 3.42Å | ||
| 1378 | T | 88.2 | Confident | 84.5 | Confident | 62 Ų | 62 | 69.2 Ų | 69.2 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 142.9 | 176.7 | 50.1 | 0 | 0 | 0 | 0 | 111.3 | V1395 T1396 R1397 | T1378-V1395 HydrophobicContact CG2-CG1 4.2Å; T1378-T1396 CarbonylContact C-O 3.6Å; T1378-T1396 VanDerWaalsContact CA-O 3.3Å; T1378-T1396 WeakPolarHBondContact CA-O 3.34Å; T1378-R1397 HydrophobicContact CG2-CB 3.92Å; T1378-R1397 HydrophobicContact CG2-CG 3.86Å |
| 1379 | I | 88 | Confident | 84.9 | Confident | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.2 | 168.2 | -62.2 | 171.6 | 0 | 0 | 0 | 106.8 | F1356 P1357 T1365 Y1373 Y1381 V1395 T1396 W1404 | F1356-I1379 HydrophobicContact CD2-CD1 3.9Å; F1356-I1379 HydrophobicContact CE2-CD1 4.01Å; P1357-I1379 VanDerWaalsContact CD-CD1 3.47Å; P1357-I1379 HydrophobicContact CG-CD1 3.84Å; T1365-I1379 HydrophobicContact CG2-CG2 3.48Å; T1365-I1379 VanDerWaalsContact CG2-CG2 3.48Å; Y1373-I1379 HydrophobicContact CD1-CD1 4.33Å; Y1373-I1379 HydrophobicContact CD1-CG1 4.19Å; Y1373-I1379 HydrophobicContact CE1-CD1 3.81Å; Y1373-I1379 HydrophobicContact CE1-CG1 3.64Å; Y1373-I1379 HydrophobicContact CE2-CD1 4.04Å; I1379-Y1381 HydrophobicContact CG2-CD2 4.46Å; I1379-Y1381 HydrophobicContact CG2-CE1 4.11Å; I1379-Y1381 HydrophobicContact CG2-CE2 3.99Å; I1379-V1395 WeakPolarHBondContact O-CA 3.28Å; I1379-T1396 HydrophobicContact CB-CG2 4.01Å; I1379-T1396 PolarHBondContact N-O 2.03Å; I1379-T1396 PolarHBondContact O-N 2.55Å; I1379-W1404 HydrophobicContact CD1-CH2 3.39Å; I1379-W1404 HydrophobicContact CD1-CZ2 3.75Å; I1379-W1404 HydrophobicContact CD1-CZ3 3.91Å; I1379-W1404 HydrophobicContact CG1-CH2 3.8Å; I1379-W1404 HydrophobicContact CG1-CZ3 4.05Å |
| 1380 | V | 90.3 | Very high | 85.3 | Confident | 49 Ų | 49 | 69.6 Ų | 69.6 | 30% | 0.297 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.3 | 175 | -175.2 | 0 | 0 | 0 | 0 | 109 | T1365 T1366 A1394 V1395 | T1365-V1380 VanDerWaalsContact CA-O 3.3Å; T1365-V1380 WeakPolarHBondContact CA-O 3.32Å; T1366-V1380 HydrophobicContact CG2-CB 3.83Å; T1366-V1380 HydrophobicContact CG2-CG1 3.89Å; T1366-V1380 PolarHBondContact N-O 2.8Å; V1380-A1394 CarbonylContact C-O 3.47Å; V1380-A1394 WeakPolarHBondContact CA-O 3.42Å; V1380-V1395 HydrophobicContact CG1-CG2 4.28Å; V1380-V1395 HydrophobicContact CG2-CG1 4.24Å; V1380-V1395 HydrophobicContact CG2-CG2 4.11Å |
| 1381 | Y | 91.5 | Very high | 85.8 | Confident | 7 Ų | 7 | 69.6 Ų | 69.6 | 3% | 0.027 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 149.4 | -179.8 | -64.8 | -77.2 | 0 | 0 | 0 | 111.9 | G1358 P1360 D1364 T1365 I1379 A1394 T1396 V1408 P1409 | G1358-Y1381 WeakPolarHBondContact O-CE1 3.5Å; G1358-Y1381 PolarHBondContact O-OH 3.32Å; P1360-Y1381 VanDerWaalsContact CD-CD1 3.46Å; P1360-Y1381 HydrophobicContact CG-CD1 3.65Å; P1360-Y1381 HydrophobicContact CG-CE1 4.16Å; P1360-Y1381 HydrophobicContact CG-CG 4.21Å; D1364-Y1381 CarbonylContact O-C 3.42Å; D1364-Y1381 VanDerWaalsContact O-CA 3.32Å; D1364-Y1381 WeakPolarHBondContact O-CA 3.48Å; T1365-Y1381 HydrophobicContact CG2-CD1 3.37Å; T1365-Y1381 HydrophobicContact CG2-CE1 3.26Å; T1365-Y1381 HydrophobicContact CG2-CG 4.35Å; I1379-Y1381 HydrophobicContact CG2-CD2 4.46Å; I1379-Y1381 HydrophobicContact CG2-CE1 4.11Å; I1379-Y1381 HydrophobicContact CG2-CE2 3.99Å; Y1381-A1394 PolarHBondContact N-O 3Å; Y1381-T1396 HydrophobicContact CE2-CG2 3.85Å; Y1381-V1408 HydrophobicContact CE1-CG1 4.05Å; Y1381-P1409 HydrophobicContact CD1-CG 4.49Å; Y1381-P1409 HydrophobicContact CD2-CG 3.54Å; Y1381-P1409 VanDerWaalsContact CE2-CD 3.49Å; Y1381-P1409 HydrophobicContact CE2-CG 4.24Å; Y1381-P1409 HydrophobicContact CG-CG 3.68Å |
| 1382 | Y | 90.6 | Very high | 86.5 | Confident | 100 Ų | 100 | 69 Ų | 69 | 39% | 0.392 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 162.2 | 167.7 | 58 | -93.9 | 0 | 0 | 0 | 111.1 | G1363 D1364 T1366 | G1363-Y1382 CarbonylContact C-O 3.5Å; G1363-Y1382 WeakPolarHBondContact CA-O 3.5Å; D1364-Y1382 HydrophobicContact CB-CD2 4.45Å; D1364-Y1382 HydrophobicContact CB-CE1 4.42Å; D1364-Y1382 HydrophobicContact CB-CE2 3.72Å; D1364-Y1382 PolarHBondContact N-O 3.11Å; D1364-Y1382 PolarHBondContact O-N 2.86Å; D1364-Y1382 PolarHBondContact OD2-OH 3.23Å; T1366-Y1382 HydrophobicContact CG2-CD1 3.86Å; T1366-Y1382 HydrophobicContact CG2-CE1 4.17Å |
| 1383 | C | 90.9 | Very high | 86.9 | Confident | 29 Ų | 29 | 67.8 Ų | 67.8 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 138.1 | 170.6 | -58.2 | 0 | 0 | 0 | 0 | 110.2 | S1385 C1411 | C1383-S1385 PolarHBondContact O-N 2.96Å; C1383-C1411 WeakPolarHBondContact CA-SG 3.32Å; C1383-C1411 HydrophobicContact CB-CB 3.87Å; C1383-C1411 WeakPolarHBondContact CB-SG 3.46Å; C1383-C1411 WeakPolarHBondContact SG-CB 3.48Å; C1383-C1411 CovalentContact SG-SG 2.04Å; C1383-C1411 PolarHBondContact SG-SG 3.09Å |
| 1384 | I | 88.2 | Confident | 86.9 | Confident | 118 Ų | 118 | 69.4 Ų | 69.4 | 61% | 0.605 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -69.9 | -21.5 | -169.8 | -64.3 | 165.9 | 0 | 0 | 0 | 112.4 | F1362 D1364 | F1362-I1384 PolarHBondContact O-N 2.79Å; D1364-I1384 HydrophobicContact CB-CD1 4.28Å; D1364-I1384 HydrophobicContact CB-CG1 4.06Å |
| 1385 | S | 83.7 | Confident | 87.3 | Confident | 43 Ų | 43 | 68.8 Ų | 68.8 | 30% | 0.301 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -139.3 | 144.4 | 176.8 | 170.1 | 0 | 0 | 0 | 0 | 111 | C1383 K1387 Y1388 | C1383-S1385 PolarHBondContact O-N 2.96Å; S1385-K1387 PolarHBondContact O-N 3.09Å; S1385-K1387 PolarHBondContact OG-N 2.76Å; S1385-Y1388 PolarHBondContact O-N 2.8Å |
| 1386 | N | 82.1 | Confident | 87.7 | Confident | 141 Ų | 141 | 65 Ų | 65 | 75% | 0.754 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -16.9 | 171.9 | 63.4 | -19.6 | 0 | 0 | 0 | 114.6 | Y1388 | N1386-Y1388 PolarHBondContact O-N 3.05Š|
| 1387 | K | 82.3 | Confident | 88 | Confident | 153 Ų | 153 | 70.1 Ų | 70.1 | 67% | 0.665 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.3 | 170.7 | -65.6 | -175.4 | 178.2 | -175.6 | 0 | 113.3 | S1385 P1413 Q1414 | S1385-K1387 PolarHBondContact O-N 3.09Å; S1385-K1387 PolarHBondContact OG-N 2.76Å; K1387-P1413 WeakPolarHBondContact O-CA 3.46Å; K1387-Q1414 PolarHBondContact O-N 3.07Å |
| 1388 | Y | 87.1 | Confident | 88.1 | Confident | 60 Ų | 60 | 68.1 Ų | 68.1 | 24% | 0.235 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.5 | -179.2 | -56.7 | -95.9 | 0 | 0 | 0 | 111.4 | F1362 S1385 N1386 C1411 K1412 P1413 | F1362-Y1388 HydrophobicContact CB-CD1 3.96Å; F1362-Y1388 HydrophobicContact CB-CD2 4.24Å; F1362-Y1388 HydrophobicContact CB-CE1 3.9Å; F1362-Y1388 HydrophobicContact CB-CE2 4.18Å; F1362-Y1388 HydrophobicContact CB-CG 4.14Å; F1362-Y1388 HydrophobicContact CD1-CE1 4.22Å; F1362-Y1388 HydrophobicContact CD1-CE2 4.4Å; F1362-Y1388 AromaticContact CD1-CZ 3.84Å; F1362-Y1388 AromaticContact CD2-CD1 3.96Å; F1362-Y1388 HydrophobicContact CD2-CD1 3.96Å; F1362-Y1388 AromaticContact CD2-CE1 3.35Å; F1362-Y1388 HydrophobicContact CD2-CE1 3.35Å; F1362-Y1388 AromaticContact CD2-CZ 3.85Å; F1362-Y1388 AromaticContact CE2-CE1 3.87Å; F1362-Y1388 HydrophobicContact CE2-CE1 3.87Å; F1362-Y1388 HydrophobicContact CG-CD1 4.11Å; F1362-Y1388 AromaticContact CG-CE1 3.56Å; F1362-Y1388 HydrophobicContact CG-CE1 3.56Å; F1362-Y1388 HydrophobicContact CG-CE2 4.22Å; F1362-Y1388 AromaticContact CG-CZ 3.62Å; S1385-Y1388 PolarHBondContact O-N 2.8Å; N1386-Y1388 PolarHBondContact O-N 3.05Å; Y1388-C1411 WeakPolarHBondContact CD1-O 3.48Å; Y1388-K1412 CarbonylContact C-O 3.56Å; Y1388-K1412 VanDerWaalsContact CA-O 3.26Å; Y1388-K1412 WeakPolarHBondContact CA-O 3.4Å; Y1388-P1413 HydrophobicContact CD1-CB 4.25Å; Y1388-P1413 HydrophobicContact CE1-CB 4.25Å |
| 1389 | K | 85.7 | Confident | 88 | Confident | 144 Ų | 144 | 67.2 Ų | 67.2 | 63% | 0.626 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 139.5 | 170.9 | -170.8 | 174.3 | 179.7 | 178.7 | 0 | 109.4 | K1412 Q1414 | K1389-K1412 PolarHBondContact N-O 2.86Å; K1389-K1412 PolarHBondContact O-N 3.34Å; K1389-Q1414 HydrophobicContact CB-CG 3.91Å |
| 1390 | M | 88.3 | Confident | 87.6 | Confident | 44 Ų | 44 | 69.7 Ų | 69.7 | 22% | 0.217 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 140.9 | 174.6 | -170.5 | 159.2 | -72.9 | 0 | 0 | 111.4 | A1394 P1409 S1410 | M1390-A1394 HydrophobicContact SD-CB 3.59Å; M1390-A1394 VanDerWaalsContact SD-CB 3.59Å; M1390-P1409 HydrophobicContact CE-CG 4.14Å; M1390-P1409 HydrophobicContact CG-CB 3.9Å; M1390-P1409 HydrophobicContact CG-CG 4.39Å; M1390-P1409 HydrophobicContact SD-CB 3.91Å; M1390-P1409 HydrophobicContact SD-CG 3.77Å; M1390-S1410 CarbonylContact C-O 3.45Å; M1390-S1410 WeakPolarHBondContact CA-O 3.37Å |
| 1391 | E | 88.6 | Confident | 87.3 | Confident | 94 Ų | 94 | 71.1 Ų | 71.1 | 44% | 0.439 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 132.2 | 175.6 | -175.3 | -172.5 | -114.6 | 0 | 0 | 108.7 | P1409 S1410 K1412 | E1391-P1409 WeakPolarHBondContact O-CA 3.49Å; E1391-P1409 VanDerWaalsContact O-CB 3.29Å; E1391-P1409 WeakPolarHBondContact O-CB 3.43Å; E1391-S1410 PolarHBondContact N-O 2.73Å; E1391-S1410 PolarHBondContact O-N 2.66Å; E1391-K1412 IonicContact OE1-NZ 2.74Å; E1391-K1412 PolarHBondContact OE1-NZ 3.37Å; E1391-K1412 WeakPolarHBondContact OE2-CD 3.33Å; E1391-K1412 WeakPolarHBondContact OE2-CE 3.21Å; E1391-K1412 IonicContact OE2-NZ 2.7Å; E1391-K1412 PolarHBondContact OE2-NZ 3.36Å |
| 1392 | G | 87.2 | Confident | 86.7 | Confident | 63 Ų | 63 | 72 Ų | 72 | 65% | 0.649 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 93.7 | -175.8 | -166.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1393 | N | 88.7 | Confident | 86.5 | Confident | 84 Ų | 84 | 74.5 Ų | 74.5 | 45% | 0.449 | 41% | 0.408 | S | S | . | . | trans | -82.9 | 122.2 | -176.7 | -173.7 | -0.6 | 0 | 0 | 0 | 111.2 | V1395 | N1393-V1395 VanDerWaalsContact CG-O 3.23Å; N1393-V1395 PolarHBondContact ND2-O 2.76Å; N1393-V1395 PolarHBondContact O-N 2.74Å; N1393-V1395 PolarHBondContact OD1-N 3.23Å; N1393-V1395 PolarHBondContact OD1-O 3.34Å | ||
| 1394 | A | 87.1 | Confident | 86.4 | Confident | 36 Ų | 36 | 75.5 Ų | 75.5 | 30% | 0.298 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -67.4 | -16.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1380 Y1381 M1390 | V1380-A1394 CarbonylContact C-O 3.47Å; V1380-A1394 WeakPolarHBondContact CA-O 3.42Å; Y1381-A1394 PolarHBondContact N-O 3Å; M1390-A1394 HydrophobicContact SD-CB 3.59Å; M1390-A1394 VanDerWaalsContact SD-CB 3.59Å |
| 1395 | V | 90.6 | Very high | 86.5 | Confident | 60 Ų | 60 | 73 Ų | 73 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 117.6 | -178 | -171.4 | 0 | 0 | 0 | 0 | 111 | T1378 I1379 V1380 N1393 | T1378-V1395 HydrophobicContact CG2-CG1 4.2Å; I1379-V1395 WeakPolarHBondContact O-CA 3.28Å; V1380-V1395 HydrophobicContact CG1-CG2 4.28Å; V1380-V1395 HydrophobicContact CG2-CG1 4.24Å; V1380-V1395 HydrophobicContact CG2-CG2 4.11Å; N1393-V1395 VanDerWaalsContact CG-O 3.23Å; N1393-V1395 PolarHBondContact ND2-O 2.76Å; N1393-V1395 PolarHBondContact O-N 2.74Å; N1393-V1395 PolarHBondContact OD1-N 3.23Å; N1393-V1395 PolarHBondContact OD1-O 3.34Å |
| 1396 | T | 90.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 141.5 | 172.6 | -167.6 | 0 | 0 | 0 | 0 | 111 | P1357 T1378 I1379 Y1381 W1404 S1406 | P1357-T1396 HydrophobicContact CG-CG2 4.43Å; T1378-T1396 CarbonylContact C-O 3.6Å; T1378-T1396 VanDerWaalsContact CA-O 3.3Å; T1378-T1396 WeakPolarHBondContact CA-O 3.34Å; I1379-T1396 HydrophobicContact CB-CG2 4.01Å; I1379-T1396 PolarHBondContact N-O 2.03Å; I1379-T1396 PolarHBondContact O-N 2.55Å; Y1381-T1396 HydrophobicContact CE2-CG2 3.85Å; T1396-W1404 HydrophobicContact CG2-CD2 4.33Å; T1396-W1404 HydrophobicContact CG2-CE3 3.68Å; T1396-W1404 HydrophobicContact CG2-CZ3 4.12Å; T1396-S1406 WeakPolarHBondContact CB-OG 3.31Å; T1396-S1406 PolarHBondContact OG1-N 2.85Å; T1396-S1406 PolarHBondContact OG1-O 3.1Å; T1396-S1406 PolarHBondContact OG1-OG 3.04Å |
| 1397 | R | 90.6 | Very high | 87.1 | Confident | 142 Ų | 142 | 70.5 Ų | 70.5 | 54% | 0.536 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.8 | -175.5 | -172 | -176.9 | -69.1 | -142 | 0.6 | 111 | D1377 T1378 T1399 W1404 S1405 | D1377-R1397 CarbonylContact O-C 3.6Å; D1377-R1397 WeakPolarHBondContact O-CA 3.01Å; T1378-R1397 HydrophobicContact CG2-CB 3.92Å; T1378-R1397 HydrophobicContact CG2-CG 3.86Å; R1397-T1399 PolarHBondContact O-N 3.42Å; R1397-W1404 CarbonylContact O-C 3.58Å; R1397-W1404 WeakPolarHBondContact O-CA 3.29Å; R1397-S1405 PolarHBondContact N-OG 3.42Å; R1397-S1405 PolarHBondContact O-N 2.67Å |
| 1398 | C | 89.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -71.9 | 115.7 | 169.3 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | C1354 L1374 G1376 D1377 W1404 | C1354-C1398 HydrophobicContact CB-CB 3.79Å; C1354-C1398 WeakPolarHBondContact CB-SG 3.08Å; C1354-C1398 PolarHBondContact N-SG 3.14Å; C1354-C1398 VanDerWaalsContact N-SG 3.43Å; C1354-C1398 WeakPolarHBondContact SG-CA 3.41Å; C1354-C1398 WeakPolarHBondContact SG-CB 3.38Å; C1354-C1398 CovalentContact SG-SG 2.04Å; C1354-C1398 PolarHBondContact SG-SG 2.84Å; L1374-C1398 WeakPolarHBondContact O-CB 3.29Å; G1376-C1398 PolarHBondContact N-O 3.41Å; D1377-C1398 PolarHBondContact O-N 3.42Å; C1398-W1404 HydrophobicContact CB-CE3 4.36Å; C1398-W1404 HydrophobicContact CB-CH2 4.11Å; C1398-W1404 HydrophobicContact CB-CZ3 4.02Å; C1398-W1404 VanDerWaalsContact N-CZ3 3.31Å |
| 1399 | T | 86.7 | Confident | 87.5 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 27% | 0.27 | 36% | 0.364 | S | S | . | . | trans | -86.1 | 161.6 | -177.8 | 70.4 | 0 | 0 | 0 | 0 | 111.9 | R1397 T1401 G1402 K1403 | R1397-T1399 PolarHBondContact O-N 3.42Å; T1399-T1401 PolarHBondContact O-N 2.04Å; T1399-T1401 PolarHBondContact OG1-OG1 3.03Å; T1399-G1402 PolarHBondContact O-N 3.07Å; T1399-K1403 WeakPolarHBondContact CB-O 3.05Å; T1399-K1403 WeakPolarHBondContact CG2-O 3.42Å; T1399-K1403 PolarHBondContact N-O 2.84Å; T1399-K1403 PolarHBondContact OG1-O 3.09Å | ||
| 1400 | G | 79.9 | Confident | 87.8 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 54% | 0.536 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -14 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1401 | T | 82.7 | Confident | 87.8 | Confident | 80 Ų | 80 | 56.9 Ų | 56.9 | 49% | 0.491 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -13.9 | 174.9 | 67.4 | 0 | 0 | 0 | 0 | 113.9 | R1352 T1399 K1403 | R1352-T1401 WeakPolarHBondContact CD-O 3.43Å; R1352-T1401 PolarHBondContact NH1-O 3.43Å; T1399-T1401 PolarHBondContact O-N 2.04Å; T1399-T1401 PolarHBondContact OG1-OG1 3.03Å; T1401-K1403 WeakPolarHBondContact OG1-CB 3.34Å; T1401-K1403 PolarHBondContact OG1-N 2.79Å |
| 1402 | G | 79.5 | Confident | 87.7 | Confident | 26 Ų | 26 | 57.4 Ų | 57.4 | 27% | 0.268 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 83.5 | 22.1 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C1354 T1399 | C1354-G1402 VanDerWaalsContact SG-C 3.51Å; T1399-G1402 PolarHBondContact O-N 3.07Å |
| 1403 | K | 85.8 | Confident | 87.4 | Confident | 152 Ų | 152 | 58.8 Ų | 58.8 | 66% | 0.661 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -122.7 | 154.2 | 175.5 | -62.9 | -175.3 | 176.4 | -176 | 0 | 111.3 | T1399 T1401 | T1399-K1403 WeakPolarHBondContact CB-O 3.05Å; T1399-K1403 WeakPolarHBondContact CG2-O 3.42Å; T1399-K1403 PolarHBondContact N-O 2.84Å; T1399-K1403 PolarHBondContact OG1-O 3.09Å; T1401-K1403 WeakPolarHBondContact OG1-CB 3.34Å; T1401-K1403 PolarHBondContact OG1-N 2.79Å |
| 1404 | W | 88.7 | Confident | 86.6 | Confident | 50 Ų | 50 | 60.4 Ų | 60.4 | 19% | 0.189 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -73.8 | 146.9 | 173.3 | -68.5 | 103 | 0 | 0 | 0 | 112.6 | C1354 W1355 P1357 Y1373 I1379 T1396 R1397 C1398 S1406 | C1354-W1404 HydrophobicContact CB-CD2 4.33Å; C1354-W1404 HydrophobicContact CB-CH2 4.45Å; C1354-W1404 HydrophobicContact CB-CZ2 3.64Å; W1355-W1404 WeakPolarHBondContact O-CZ2 3.21Å; W1355-W1404 PolarHBondContact O-NE1 3.15Å; P1357-W1404 HydrophobicContact CB-CD2 4.49Å; P1357-W1404 HydrophobicContact CB-CG 4.18Å; P1357-W1404 HydrophobicContact CG-CD2 4.07Å; P1357-W1404 HydrophobicContact CG-CG 4.27Å; P1357-W1404 HydrophobicContact CG-CZ2 4.26Å; Y1373-W1404 AromaticContact CD1-CH2 3.87Å; Y1373-W1404 HydrophobicContact CD1-CH2 3.87Å; Y1373-W1404 HydrophobicContact CD1-CZ2 4.45Å; Y1373-W1404 AromaticContact CD2-CH2 3.98Å; Y1373-W1404 HydrophobicContact CD2-CH2 3.98Å; Y1373-W1404 AromaticContact CD2-CZ2 3.72Å; Y1373-W1404 HydrophobicContact CD2-CZ2 3.72Å; Y1373-W1404 HydrophobicContact CE2-CZ2 4.41Å; Y1373-W1404 AromaticContact CG-CH2 3.56Å; Y1373-W1404 HydrophobicContact CG-CH2 3.56Å; Y1373-W1404 AromaticContact CG-CZ2 3.75Å; Y1373-W1404 HydrophobicContact CG-CZ2 3.75Å; I1379-W1404 HydrophobicContact CD1-CH2 3.39Å; I1379-W1404 HydrophobicContact CD1-CZ2 3.75Å; I1379-W1404 HydrophobicContact CD1-CZ3 3.91Å; I1379-W1404 HydrophobicContact CG1-CH2 3.8Å; I1379-W1404 HydrophobicContact CG1-CZ3 4.05Å; T1396-W1404 HydrophobicContact CG2-CD2 4.33Å; T1396-W1404 HydrophobicContact CG2-CE3 3.68Å; T1396-W1404 HydrophobicContact CG2-CZ3 4.12Å; R1397-W1404 CarbonylContact O-C 3.58Å; R1397-W1404 WeakPolarHBondContact O-CA 3.29Å; C1398-W1404 HydrophobicContact CB-CE3 4.36Å; C1398-W1404 HydrophobicContact CB-CH2 4.11Å; C1398-W1404 HydrophobicContact CB-CZ3 4.02Å; C1398-W1404 VanDerWaalsContact N-CZ3 3.31Å; W1404-S1406 VanDerWaalsContact C-N 3.32Å |
| 1405 | S | 90.8 | Very high | 85.7 | Confident | 66 Ų | 66 | 70 Ų | 70 | 46% | 0.462 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -72.3 | -23.7 | -179.7 | 63.4 | 0 | 0 | 0 | 0 | 113.9 | R1397 | R1397-S1405 PolarHBondContact N-OG 3.42Å; R1397-S1405 PolarHBondContact O-N 2.67Å |
| 1406 | S | 88.8 | Confident | 84.4 | Confident | 27 Ų | 27 | 73 Ų | 73 | 19% | 0.189 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -149.2 | 158.2 | 174 | 60.8 | 0 | 0 | 0 | 0 | 110.8 | T1396 W1404 | T1396-S1406 WeakPolarHBondContact CB-OG 3.31Å; T1396-S1406 PolarHBondContact OG1-N 2.85Å; T1396-S1406 PolarHBondContact OG1-O 3.1Å; T1396-S1406 PolarHBondContact OG1-OG 3.04Å; W1404-S1406 VanDerWaalsContact C-N 3.32Å |
| 1407 | S | 89.3 | Confident | 82.1 | Confident | 103 Ų | 103 | 83.2 Ų | 83.2 | 72% | 0.72 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -63 | 166.6 | 167.1 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1408 | V | 89.2 | Confident | 81.7 | Confident | 41 Ų | 41 | 80.3 Ų | 80.3 | 25% | 0.248 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 130.9 | 172.8 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | P1357 P1360 Y1381 | P1357-V1408 HydrophobicContact CB-CG2 4.11Å; P1357-V1408 VanDerWaalsContact O-CG2 3.31Å; P1357-V1408 WeakPolarHBondContact O-CG2 3.31Å; P1360-V1408 HydrophobicContact CG-CG1 3.96Å; Y1381-V1408 HydrophobicContact CE1-CG1 4.05Å |
| 1409 | P | 89.7 | Confident | 81.3 | Confident | 5 Ų | 5 | 84.5 Ų | 84.5 | 3% | 0.032 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 169.8 | 177 | 31.2 | -35.2 | 0 | 0 | 0 | 111.9 | P1360 Y1381 M1390 E1391 | P1360-P1409 VanDerWaalsContact CB-O 3.3Å; P1360-P1409 WeakPolarHBondContact CB-O 3.26Å; P1360-P1409 HydrophobicContact CG-CG 4.27Å; Y1381-P1409 HydrophobicContact CD1-CG 4.49Å; Y1381-P1409 HydrophobicContact CD2-CG 3.54Å; Y1381-P1409 VanDerWaalsContact CE2-CD 3.49Å; Y1381-P1409 HydrophobicContact CE2-CG 4.24Å; Y1381-P1409 HydrophobicContact CG-CG 3.68Å; M1390-P1409 HydrophobicContact CE-CG 4.14Å; M1390-P1409 HydrophobicContact CG-CB 3.9Å; M1390-P1409 HydrophobicContact CG-CG 4.39Å; M1390-P1409 HydrophobicContact SD-CB 3.91Å; M1390-P1409 HydrophobicContact SD-CG 3.77Å; E1391-P1409 WeakPolarHBondContact O-CA 3.49Å; E1391-P1409 VanDerWaalsContact O-CB 3.29Å; E1391-P1409 WeakPolarHBondContact O-CB 3.43Å |
| 1410 | S | 90.5 | Very high | 81 | Confident | 60 Ų | 60 | 86.7 Ų | 86.7 | 42% | 0.42 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 147.2 | 177.7 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | M1390 E1391 | M1390-S1410 CarbonylContact C-O 3.45Å; M1390-S1410 WeakPolarHBondContact CA-O 3.37Å; E1391-S1410 PolarHBondContact N-O 2.73Å; E1391-S1410 PolarHBondContact O-N 2.66Å |
| 1411 | C | 89.8 | Confident | 81.1 | Confident | 9 Ų | 9 | 88.8 Ų | 88.8 | 6% | 0.061 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 102.7 | 172.9 | -71.8 | 0 | 0 | 0 | 0 | 109.9 | V1361 F1362 C1383 Y1388 | V1361-C1411 WeakPolarHBondContact O-CB 3.38Å; F1362-C1411 HydrophobicContact CB-CB 4.17Å; C1383-C1411 WeakPolarHBondContact CA-SG 3.32Å; C1383-C1411 HydrophobicContact CB-CB 3.87Å; C1383-C1411 WeakPolarHBondContact CB-SG 3.46Å; C1383-C1411 WeakPolarHBondContact SG-CB 3.48Å; C1383-C1411 CovalentContact SG-SG 2.04Å; C1383-C1411 PolarHBondContact SG-SG 3.09Å; Y1388-C1411 WeakPolarHBondContact CD1-O 3.48Å |
| 1412 | K | 86.2 | Confident | 81 | Confident | 106 Ų | 106 | 89.3 Ų | 89.3 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 141.3 | -179.5 | -77.4 | -179.9 | 174.7 | 165.8 | 0 | 111.1 | Y1388 K1389 E1391 | Y1388-K1412 CarbonylContact C-O 3.56Å; Y1388-K1412 VanDerWaalsContact CA-O 3.26Å; Y1388-K1412 WeakPolarHBondContact CA-O 3.4Å; K1389-K1412 PolarHBondContact N-O 2.86Å; K1389-K1412 PolarHBondContact O-N 3.34Å; E1391-K1412 IonicContact OE1-NZ 2.74Å; E1391-K1412 PolarHBondContact OE1-NZ 3.37Å; E1391-K1412 WeakPolarHBondContact OE2-CD 3.33Å; E1391-K1412 WeakPolarHBondContact OE2-CE 3.21Å; E1391-K1412 IonicContact OE2-NZ 2.7Å; E1391-K1412 PolarHBondContact OE2-NZ 3.36Å |
| 1413 | P | 81.5 | Confident | 81.1 | Confident | 92 Ų | 92 | 93.5 Ų | 93.5 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63 | 139.5 | 176.7 | 26.6 | -33.9 | 0 | 0 | 0 | 111.1 | K1387 Y1388 | K1387-P1413 WeakPolarHBondContact O-CA 3.46Å; Y1388-P1413 HydrophobicContact CD1-CB 4.25Å; Y1388-P1413 HydrophobicContact CE1-CB 4.25Å |
| 1414 | Q | 71.1 | Confident | 80.7 | Confident | 118 Ų | 118 | 89.4 Ų | 89.4 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 137.1 | 171 | -62.1 | -171.8 | 8.8 | 0 | 0 | 109.6 | K1387 K1389 | K1387-Q1414 PolarHBondContact O-N 3.07Å; K1389-Q1414 HydrophobicContact CB-CG 3.91Å |
| 1415 | R | 67.7 | Low | 80.1 | Confident | 237 Ų | 237 | 92.4 Ų | 92.4 | 89% | 0.894 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 140.8 | 165.9 | -66.1 | -174.6 | -177.7 | -178.1 | 0.9 | 108.6 | ||
| 1416 | P | 63.8 | Low | 79.2 | Confident | 124 Ų | 124 | 94.6 Ų | 94.6 | 81% | 0.805 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 150 | 158.5 | 29.9 | -33.7 | 0 | 0 | 0 | 109.3 | ||
| 1417 | T | 43.1 | Very low | 78.3 | Confident | 213 Ų | 213 | 100.7 Ų | 100.7 | 100% | 1.307 | 55% | 0.554 | S | S | * | * | trans | -76.3 | 0 | 170.7 | 51.4 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 1,417 of 1,417 residues in 2288.6 ms
(Link to these results)