| 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 | 26 | Very low | 30.7 | Very low | 239 Ų | 239 | 155.1 Ų | 155.1 | 100% | 1.177 | 82% | 0.816 | S | S | * | * | 0 | 161.7 | 0 | -88.8 | -172.8 | 170.1 | 0 | 0 | 109 | |||||
| 2 | P | 33.2 | Very low | 30.4 | Very low | 118 Ų | 118 | 153.4 Ų | 153.4 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -73.4 | 159.8 | -155.5 | 28.3 | -35.7 | 0 | 0 | 0 | 114.3 | ||||
| 3 | K | 33.7 | Very low | 30.1 | Very low | 209 Ų | 209 | 148.8 Ų | 148.8 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | cis | -139.9 | 161.1 | 4.8 | -132.8 | 172.2 | -174.2 | -175.9 | 0 | 110.8 | ||||
| 4 | R | 27.8 | Very low | 30 | Very low | 228 Ų | 228 | 146.4 Ų | 146.4 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -149.6 | 154.7 | -171.1 | -162.5 | -168.9 | -171.6 | -177.5 | 1.5 | 109.3 | ||||
| 5 | N | 30.3 | Very low | 29.8 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | 124.2 | 144.2 | 152.9 | -66.5 | 10 | 0 | 0 | 0 | 117.5 | ||||
| 6 | N | 25 | Very low | 29.6 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -94.7 | -170.7 | 167.1 | -121.9 | 16.8 | 0 | 0 | 0 | 108.4 | ||||
| 7 | P | 40.1 | Very low | 29.6 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 58% | 0.578 | 80% | 0.796 | S | S | * | * | cis | -134.7 | -149.1 | -37 | 34.1 | -11.9 | 0 | 0 | 0 | 111.6 | ||||
| 8 | E | 26.2 | Very low | 29.4 | Very low | 185 Ų | 185 | 140.7 Ų | 140.7 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | 91.1 | 149 | 153.4 | -78.5 | 160.5 | -146.6 | 0 | 0 | 121.4 | ||||
| 9 | S | 28.7 | Very low | 29.4 | Very low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -162.6 | 178.1 | -166.3 | 64.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 10 | P | 38.4 | Very low | 29.4 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | cis | -109.4 | -152.9 | -1.2 | 26.8 | -2.2 | 0 | 0 | 0 | 110.1 | ||||
| 11 | T | 27.9 | Very low | 29.2 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | cis | -132 | -159 | 11.8 | 56.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 12 | D | 27.6 | Very low | 29.3 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | cis | -157.5 | -170.9 | 13.8 | -142.1 | -74.8 | 0 | 0 | 0 | 113.5 | ||||
| 13 | S | 26.4 | Very low | 28.9 | Very low | 93 Ų | 93 | 137 Ų | 137 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | -70 | 164.1 | 173.4 | 61.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 14 | V | 28.5 | Very low | 28.5 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 70% | 0.697 | 79% | 0.785 | S | S | * | * | cis | -154.5 | 150.8 | 35.3 | 177.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 15 | T | 27.2 | Very low | 28.4 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | 61.9 | 140.2 | 162.8 | 45.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 16 | G | 26.9 | Very low | 28.2 | Very low | 73 Ų | 73 | 124.3 Ų | 124.3 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | 176.1 | 18.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 17 | V | 29.5 | Very low | 28.4 | Very low | 142 Ų | 142 | 123 Ų | 123 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | 62.2 | 115.6 | 157.5 | -176.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 18 | S | 26.5 | Very low | 28.2 | Very low | 125 Ų | 125 | 124 Ų | 124 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | 62.6 | 136.7 | 142.7 | -159.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 19 | G | 29.2 | Very low | 28.6 | Very low | 70 Ų | 70 | 119.6 Ų | 119.6 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 152.3 | 72.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 20 | D | 29.6 | Very low | 29 | Very low | 169 Ų | 169 | 124.5 Ų | 124.5 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | trans | 39.5 | 121.1 | 163.8 | -64.8 | -20.1 | 0 | 0 | 0 | 121.9 | ||||
| 21 | E | 24.2 | Very low | 29.4 | Very low | 160 Ų | 160 | 124.4 Ų | 124.4 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -92.7 | 154.1 | 161.3 | -69.1 | -160.1 | 90.8 | 0 | 0 | 112.7 | ||||
| 22 | S | 29.4 | Very low | 30.5 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -158.8 | 70 | 161.1 | -82 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 23 | Q | 24.3 | Very low | 31.3 | Very low | 176 Ų | 176 | 125.8 Ų | 125.8 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | -93.4 | 113.7 | 175.2 | -68.6 | -163.8 | 54.9 | 0 | 0 | 112.4 | ||||
| 24 | S | 24.1 | Very low | 33 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | -154.4 | 32.8 | 168 | 58.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 25 | S | 25.7 | Very low | 34.9 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | trans | -133.6 | 37 | -171.9 | 61.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 26 | S | 25.9 | Very low | 36.9 | Very low | 94 Ų | 94 | 119 Ų | 119 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -100.1 | -12.7 | -179.1 | 60.6 | 0 | 0 | 0 | 0 | 116.1 | ||
| 27 | V | 30.4 | Very low | 38.8 | Very low | 122 Ų | 122 | 122.7 Ų | 122.7 | 74% | 0.739 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -87 | -30.4 | -171.5 | -178.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 28 | T | 36.3 | Very low | 41.1 | Very low | 111 Ų | 111 | 117.2 Ų | 117.2 | 68% | 0.681 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -77.6 | -26.6 | -168.7 | 50.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 29 | T | 34.3 | Very low | 43.9 | Very low | 92 Ų | 92 | 114 Ų | 114 | 56% | 0.564 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.9 | -46 | -176.8 | 52 | 0 | 0 | 0 | 0 | 112.4 | K31 R32 | T29-K31 VanDerWaalsContact C-N 3.29Å; T29-K31 PolarHBondContact O-N 3.02Å; T29-R32 PolarHBondContact O-N 3.36Å; T29-R32 VanDerWaalsContact O-N 3.15Å |
| 30 | R | 37.7 | Very low | 46.8 | Very low | 213 Ų | 213 | 114.9 Ų | 114.9 | 80% | 0.804 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61 | -30.5 | -178.8 | -77.9 | 179 | 167.3 | 158.7 | -5 | 113.8 | R32 | R30-R32 VanDerWaalsContact C-N 3.33Å; R30-R32 PolarHBondContact O-N 3.21Å |
| 31 | K | 46.5 | Very low | 49.6 | Very low | 116 Ų | 116 | 109.2 Ų | 109.2 | 50% | 0.504 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72.4 | -25.3 | 178.8 | -136.4 | -164.9 | -176.3 | -148 | 0 | 112.8 | T29 E46 | T29-K31 VanDerWaalsContact C-N 3.29Å; T29-K31 PolarHBondContact O-N 3.02Å; K31-E46 VanDerWaalsContact NZ-CD 3.27Å; K31-E46 IonicContact NZ-OE1 2.78Å; K31-E46 PolarHBondContact NZ-OE1 3.02Å; K31-E46 IonicContact NZ-OE2 2.69Å; K31-E46 PolarHBondContact NZ-OE2 2.83Å |
| 32 | R | 50.8 | Low | 52.6 | Low | 181 Ų | 181 | 105.9 Ų | 105.9 | 68% | 0.683 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.6 | -44 | -174.5 | -135.2 | 178.3 | -156.1 | 165.2 | 9.6 | 112.8 | T29 R30 R34 L35 | T29-R32 PolarHBondContact O-N 3.36Å; T29-R32 VanDerWaalsContact O-N 3.15Å; R30-R32 VanDerWaalsContact C-N 3.33Å; R30-R32 PolarHBondContact O-N 3.21Å; R32-R34 PolarHBondContact O-N 2.96Å; R32-L35 PolarHBondContact O-N 3.4Å |
| 33 | C | 44.3 | Very low | 55.5 | Low | 99 Ų | 99 | 100.5 Ų | 100.5 | 67% | 0.669 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.8 | -28.1 | -177.7 | -61.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 34 | R | 61 | Low | 58.8 | Low | 173 Ų | 173 | 92.1 Ų | 92.1 | 65% | 0.653 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.2 | -37.4 | 176.9 | -83.1 | -172 | 173.8 | 161.2 | 3.6 | 112.9 | R32 A36 | R32-R34 PolarHBondContact O-N 2.96Å; R34-A36 VanDerWaalsContact C-N 3.31Å; R34-A36 PolarHBondContact O-N 3.47Å |
| 35 | L | 68.9 | Low | 62.1 | Low | 16 Ų | 16 | 88.6 Ų | 88.6 | 8% | 0.084 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -75.9 | -18.5 | -176.3 | -68.1 | 169.5 | 0 | 0 | 0 | 113.4 | R32 E46 L144 I147 T148 | R32-L35 PolarHBondContact O-N 3.4Å; L35-E46 HydrophobicContact CD2-CB 4.3Å; L35-E46 HydrophobicContact CD2-CG 3.82Å; L35-L144 HydrophobicContact CD1-CD2 3.96Å; L35-L144 HydrophobicContact CD2-CD2 4.05Å; L35-L144 HydrophobicContact CG-CD2 4.41Å; L35-I147 HydrophobicContact CB-CG2 3.84Å; L35-I147 HydrophobicContact CD1-CD1 4.48Å; L35-T148 WeakPolarHBondContact O-CG2 3.14Å |
| 36 | A | 68.6 | Low | 65.3 | Low | 21 Ų | 21 | 85.7 Ų | 85.7 | 17% | 0.174 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -66.6 | -34.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | R34 S151 | R34-A36 VanDerWaalsContact C-N 3.31Å; R34-A36 PolarHBondContact O-N 3.47Å; A36-S151 VanDerWaalsContact CB-OG 3.27Å; A36-S151 WeakPolarHBondContact CB-OG 3.49Å |
| 37 | N | 68.3 | Low | 68.5 | Low | 150 Ų | 150 | 81.3 Ų | 81.3 | 80% | 0.802 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | 13.9 | -175.9 | -65 | -13.1 | 0 | 0 | 0 | 112.9 | ||
| 38 | A | 76.7 | Confident | 71.6 | Confident | 26 Ų | 26 | 75.7 Ų | 75.7 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | trans | -72.3 | 144.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D42 L43 | A38-D42 HydrophobicContact CB-CB 3.97Å; A38-L43 HydrophobicContact CB-CG 4.21Å | ||
| 39 | S | 86.8 | Confident | 74.3 | Confident | 58 Ų | 58 | 73.5 Ų | 73.5 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | trans | -70.3 | 164.9 | 174.9 | 76.7 | 0 | 0 | 0 | 0 | 111.5 | L41 D42 L43 | S39-L41 PolarHBondContact O-N 3.46Å; S39-L41 PolarHBondContact OG-N 3.27Å; S39-D42 WeakPolarHBondContact CB-OD2 3.21Å; S39-D42 PolarHBondContact N-OD2 2.91Å; S39-D42 PolarHBondContact O-N 2.77Å; S39-D42 VanDerWaalsContact O-N 3.14Å; S39-D42 PolarHBondContact OG-N 3.16Å; S39-D42 PolarHBondContact OG-OD2 2.88Å; S39-L43 WeakPolarHBondContact O-CB 3.09Å; S39-L43 WeakPolarHBondContact O-CG 3.34Å; S39-L43 PolarHBondContact O-N 3.27Å | ||
| 40 | Q | 88.1 | Confident | 77.1 | Confident | 89 Ų | 89 | 71.4 Ų | 71.4 | 42% | 0.416 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.1 | -32.8 | 173.6 | -76.7 | -69.8 | -35.3 | 0 | 0 | 112.7 | C44 E100 S101 | Q40-C44 PolarHBondContact O-N 3.43Å; Q40-C44 PolarHBondContact O-SG 2.78Å; Q40-E100 WeakPolarHBondContact CB-O 3.24Å; Q40-S101 VanDerWaalsContact OE1-CA 3.31Å |
| 41 | L | 88.6 | Confident | 79.7 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -75.2 | -38.5 | 177.7 | -169.5 | 67.4 | 0 | 0 | 0 | 112 | S39 L43 C44 Q45 I94 C97 | S39-L41 PolarHBondContact O-N 3.46Å; S39-L41 PolarHBondContact OG-N 3.27Å; L41-L43 VanDerWaalsContact C-N 3.34Å; L41-C44 WeakPolarHBondContact O-CB 3.34Å; L41-C44 PolarHBondContact O-N 2.88Å; L41-Q45 PolarHBondContact O-N 2.88Å; L41-I94 HydrophobicContact CD1-CG2 4.08Å; L41-C97 HydrophobicContact CD2-CB 4.16Å; L41-C97 VanDerWaalsContact CD2-SG 3.6Å |
| 42 | D | 88.4 | Confident | 81.8 | Confident | 90 Ų | 90 | 60.6 Ų | 60.6 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 173.4 | -58.9 | -54.9 | 0 | 0 | 0 | 111.2 | A38 S39 C44 Q45 E46 | A38-D42 HydrophobicContact CB-CB 3.97Å; S39-D42 WeakPolarHBondContact CB-OD2 3.21Å; S39-D42 PolarHBondContact N-OD2 2.91Å; S39-D42 PolarHBondContact O-N 2.77Å; S39-D42 VanDerWaalsContact O-N 3.14Å; S39-D42 PolarHBondContact OG-N 3.16Å; S39-D42 PolarHBondContact OG-OD2 2.88Å; D42-C44 VanDerWaalsContact C-N 3.34Å; D42-Q45 PolarHBondContact O-N 2.9Å; D42-E46 PolarHBondContact O-N 3.13Å |
| 43 | L | 90.8 | Very high | 83.4 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 172.8 | -77.3 | 161.9 | 0 | 0 | 0 | 111.3 | A38 S39 L41 L47 V102 L144 T148 | A38-L43 HydrophobicContact CB-CG 4.21Å; S39-L43 WeakPolarHBondContact O-CB 3.09Å; S39-L43 WeakPolarHBondContact O-CG 3.34Å; S39-L43 PolarHBondContact O-N 3.27Å; L41-L43 VanDerWaalsContact C-N 3.34Å; L43-L47 WeakPolarHBondContact O-CB 3.4Å; L43-L47 PolarHBondContact O-N 2.65Å; L43-V102 HydrophobicContact CB-CG2 3.79Å; L43-L144 HydrophobicContact CD2-CB 4.34Å; L43-L144 HydrophobicContact CD2-CD2 4.13Å; L43-T148 HydrophobicContact CD1-CG2 4.28Å; L43-T148 HydrophobicContact CD2-CG2 4.07Å |
| 44 | C | 93.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 173 | -68.6 | 0 | 0 | 0 | 0 | 112.3 | Q40 L41 D42 F48 I94 M105 | Q40-C44 PolarHBondContact O-N 3.43Å; Q40-C44 PolarHBondContact O-SG 2.78Å; L41-C44 WeakPolarHBondContact O-CB 3.34Å; L41-C44 PolarHBondContact O-N 2.88Å; D42-C44 VanDerWaalsContact C-N 3.34Å; C44-F48 WeakPolarHBondContact O-CB 3.48Å; C44-F48 PolarHBondContact O-N 2.73Å; C44-I94 HydrophobicContact CB-CG1 4.41Å; C44-M105 HydrophobicContact CB-CE 3.98Å; C44-M105 HydrophobicContact CB-SD 3.89Å |
| 45 | Q | 93.4 | Very high | 86.4 | Confident | 48 Ų | 48 | 54 Ų | 54 | 22% | 0.224 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.2 | -43.3 | -179.9 | -174.4 | 57 | 66.6 | 0 | 0 | 112.3 | L41 D42 F48 D49 I94 | L41-Q45 PolarHBondContact O-N 2.88Å; D42-Q45 PolarHBondContact O-N 2.9Å; Q45-F48 PolarHBondContact O-N 2.92Å; Q45-D49 PolarHBondContact NE2-OD1 2.96Å; Q45-D49 PolarHBondContact NE2-OD2 2.86Å; Q45-D49 WeakPolarHBondContact O-CB 3.37Å; Q45-D49 PolarHBondContact O-N 3.28Å; Q45-I94 HydrophobicContact CB-CG2 4.09Å |
| 46 | E | 92.8 | Very high | 86.5 | Confident | 38 Ų | 38 | 53.6 Ų | 53.6 | 18% | 0.178 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 174.5 | 173.6 | 88.5 | 173.9 | 0 | 0 | 111.2 | K31 L35 D42 F48 D49 R50 L144 | K31-E46 VanDerWaalsContact NZ-CD 3.27Å; K31-E46 IonicContact NZ-OE1 2.78Å; K31-E46 PolarHBondContact NZ-OE1 3.02Å; K31-E46 IonicContact NZ-OE2 2.69Å; K31-E46 PolarHBondContact NZ-OE2 2.83Å; L35-E46 HydrophobicContact CD2-CB 4.3Å; L35-E46 HydrophobicContact CD2-CG 3.82Å; D42-E46 PolarHBondContact O-N 3.13Å; E46-F48 PolarHBondContact O-N 2.93Å; E46-D49 PolarHBondContact O-N 2.79Å; E46-R50 WeakPolarHBondContact O-CB 3.46Å; E46-R50 VanDerWaalsContact O-CG 3.31Å; E46-R50 WeakPolarHBondContact O-CG 3.09Å; E46-R50 PolarHBondContact O-N 2.85Å; E46-R50 IonicContact OE1-CZ 3.22Å; E46-R50 IonicContact OE1-NE 2.79Å; E46-R50 PolarHBondContact OE1-NE 3.04Å; E46-R50 VanDerWaalsContact OE1-NE 3.09Å; E46-R50 IonicContact OE1-NH2 3.75Å; E46-R50 PolarHBondContact OE1-NH2 2.77Å; E46-L144 HydrophobicContact CG-CD1 4.22Å; E46-L144 HydrophobicContact CG-CD2 4.24Å |
| 47 | L | 93.2 | Very high | 86.2 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -48.2 | 172.4 | -118.8 | 149 | 0 | 0 | 0 | 111.2 | L43 D49 R50 I51 V102 M105 F137 E140 R141 L144 | L43-L47 WeakPolarHBondContact O-CB 3.4Å; L43-L47 PolarHBondContact O-N 2.65Å; L47-D49 PolarHBondContact O-N 3.36Å; L47-R50 PolarHBondContact O-N 2.85Å; L47-I51 HydrophobicContact CD2-CD1 3.89Å; L47-I51 WeakPolarHBondContact O-CD1 3.26Å; L47-I51 VanDerWaalsContact O-CG1 3.29Å; L47-I51 WeakPolarHBondContact O-CG1 3.5Å; L47-I51 PolarHBondContact O-N 2.74Å; L47-V102 HydrophobicContact CD1-CG1 3.62Å; L47-V102 HydrophobicContact CD1-CG2 4.44Å; L47-M105 HydrophobicContact CB-CE 3.73Å; L47-M105 HydrophobicContact CD1-CE 4.31Å; L47-M105 HydrophobicContact CG-CE 4.46Å; L47-F137 HydrophobicContact CD2-CD2 4Å; L47-F137 HydrophobicContact CD2-CE2 4.01Å; L47-E140 HydrophobicContact CD2-CB 4.16Å; L47-R141 HydrophobicContact CD1-CB 4.22Å; L47-R141 HydrophobicContact CD2-CB 4.36Å; L47-L144 HydrophobicContact CB-CD1 4.32Å; L47-L144 HydrophobicContact CD1-CD1 4.18Å; L47-L144 HydrophobicContact CG-CD1 3.81Å |
| 48 | F | 95 | Very high | 85.6 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 178.3 | 178.9 | -87.9 | 0 | 0 | 0 | 112 | C44 Q45 E46 I51 R52 M66 L87 I90 Q91 I94 | C44-F48 WeakPolarHBondContact O-CB 3.48Å; C44-F48 PolarHBondContact O-N 2.73Å; Q45-F48 PolarHBondContact O-N 2.92Å; E46-F48 PolarHBondContact O-N 2.93Å; F48-I51 PolarHBondContact O-N 2.64Å; F48-R52 HydrophobicContact CE1-CB 4.36Å; F48-R52 VanDerWaalsContact O-CB 3.28Å; F48-R52 WeakPolarHBondContact O-CB 3.5Å; F48-R52 PolarHBondContact O-N 3.24Å; F48-M66 HydrophobicContact CZ-SD 4.38Å; F48-L87 HydrophobicContact CE2-CB 4.16Å; F48-L87 HydrophobicContact CE2-CD2 4.48Å; F48-L87 VanDerWaalsContact CE2-O 3.32Å; F48-L87 WeakPolarHBondContact CE2-O 3.19Å; F48-I90 HydrophobicContact CD2-CG2 4.18Å; F48-Q91 HydrophobicContact CD1-CG 4.23Å; F48-Q91 HydrophobicContact CE1-CB 4Å; F48-Q91 VanDerWaalsContact CE1-CD 3.41Å; F48-Q91 HydrophobicContact CE1-CG 3.59Å; F48-Q91 HydrophobicContact CE2-CB 3.83Å; F48-Q91 HydrophobicContact CE2-CG 4.34Å; F48-Q91 HydrophobicContact CZ-CB 3.52Å; F48-Q91 HydrophobicContact CZ-CG 3.67Å; F48-I94 HydrophobicContact CB-CD1 3.53Å; F48-I94 HydrophobicContact CD2-CD1 4.09Å; F48-I94 HydrophobicContact CG-CD1 3.81Å |
| 49 | D | 93.2 | Very high | 85.2 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 35% | 0.353 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -71.8 | -28 | 179.7 | -74.1 | -31.5 | 0 | 0 | 0 | 112.6 | Q45 E46 L47 R52 A53 | Q45-D49 PolarHBondContact NE2-OD1 2.96Å; Q45-D49 PolarHBondContact NE2-OD2 2.86Å; Q45-D49 WeakPolarHBondContact O-CB 3.37Å; Q45-D49 PolarHBondContact O-N 3.28Å; E46-D49 PolarHBondContact O-N 2.79Å; L47-D49 PolarHBondContact O-N 3.36Å; D49-R52 PolarHBondContact O-N 3.34Å; D49-A53 WeakPolarHBondContact O-CB 3.45Å; D49-A53 PolarHBondContact O-N 3.16Å |
| 50 | R | 92.8 | Very high | 84.8 | Confident | 47 Ų | 47 | 49.9 Ų | 49.9 | 18% | 0.177 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.3 | -48.3 | 167.7 | -71.9 | -174.2 | -164.8 | -168.7 | 1.6 | 112.1 | E46 L47 R52 A53 Y54 E140 | E46-R50 WeakPolarHBondContact O-CB 3.46Å; E46-R50 VanDerWaalsContact O-CG 3.31Å; E46-R50 WeakPolarHBondContact O-CG 3.09Å; E46-R50 PolarHBondContact O-N 2.85Å; E46-R50 IonicContact OE1-CZ 3.22Å; E46-R50 IonicContact OE1-NE 2.79Å; E46-R50 PolarHBondContact OE1-NE 3.04Å; E46-R50 VanDerWaalsContact OE1-NE 3.09Å; E46-R50 IonicContact OE1-NH2 3.75Å; E46-R50 PolarHBondContact OE1-NH2 2.77Å; L47-R50 PolarHBondContact O-N 2.85Å; R50-R52 PolarHBondContact O-N 3.3Å; R50-A53 CarbonylContact O-C 3.59Å; R50-A53 PolarHBondContact O-N 3.09Å; R50-A53 VanDerWaalsContact O-N 3.17Å; R50-Y54 WeakPolarHBondContact O-CB 3.32Å; R50-Y54 PolarHBondContact O-N 3.32Å; R50-E140 HydrophobicContact CB-CG 4.28Å; R50-E140 WeakPolarHBondContact CD-OE2 3.21Å; R50-E140 IonicContact CZ-OE2 2.81Å; R50-E140 IonicContact NE-OE2 3.96Å; R50-E140 IonicContact NH1-OE2 2.75Å; R50-E140 PolarHBondContact NH1-OE2 2.91Å |
| 51 | I | 92 | Very high | 84.7 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.6 | -33.2 | 175.2 | -65 | 158.9 | 0 | 0 | 0 | 111.4 | L47 F48 S62 L87 L133 F137 | L47-I51 HydrophobicContact CD2-CD1 3.89Å; L47-I51 WeakPolarHBondContact O-CD1 3.26Å; L47-I51 VanDerWaalsContact O-CG1 3.29Å; L47-I51 WeakPolarHBondContact O-CG1 3.5Å; L47-I51 PolarHBondContact O-N 2.74Å; F48-I51 PolarHBondContact O-N 2.64Å; I51-S62 WeakPolarHBondContact O-CB 3.49Å; I51-L87 HydrophobicContact CG2-CD1 4.38Å; I51-L133 HydrophobicContact CG2-CD1 3.75Å; I51-F137 HydrophobicContact CD1-CB 4.41Å; I51-F137 HydrophobicContact CD1-CD2 3.66Å; I51-F137 HydrophobicContact CD1-CE2 4.46Å |
| 52 | R | 90.6 | Very high | 84.4 | Confident | 99 Ų | 99 | 43.7 Ų | 43.7 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -74.6 | -39.4 | 175.6 | -168.5 | -171.3 | -173.5 | 103.1 | -0.8 | 113 | F48 D49 R50 Y54 R55 S62 | F48-R52 HydrophobicContact CE1-CB 4.36Å; F48-R52 VanDerWaalsContact O-CB 3.28Å; F48-R52 WeakPolarHBondContact O-CB 3.5Å; F48-R52 PolarHBondContact O-N 3.24Å; D49-R52 PolarHBondContact O-N 3.34Å; R50-R52 PolarHBondContact O-N 3.3Å; R52-Y54 VanDerWaalsContact C-N 3.33Å; R52-R55 PolarHBondContact O-NH1 3.28Å; R52-S62 PolarHBondContact O-OG 2.87Å |
| 53 | A | 85.1 | Confident | 84.1 | Confident | 72 Ų | 72 | 46.4 Ų | 46.4 | 60% | 0.595 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -72.8 | -27.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D49 R50 R55 | D49-A53 WeakPolarHBondContact O-CB 3.45Å; D49-A53 PolarHBondContact O-N 3.16Å; R50-A53 CarbonylContact O-C 3.59Å; R50-A53 PolarHBondContact O-N 3.09Å; R50-A53 VanDerWaalsContact O-N 3.17Å; A53-R55 PolarHBondContact O-N 2.82Å; A53-R55 VanDerWaalsContact O-N 3.13Å; A53-R55 PolarHBondContact O-NH1 3.37Å; A53-R55 VanDerWaalsContact O-NH1 3.17Å |
| 54 | Y | 88 | Confident | 83.9 | Confident | 92 Ų | 92 | 48.3 Ų | 48.3 | 36% | 0.361 | 24% | 0.237 | S | C | . | . | trans | -50.6 | 120.1 | 178.5 | -165.7 | -100.5 | 0 | 0 | 0 | 110.4 | R50 R52 L61 V136 | R50-Y54 WeakPolarHBondContact O-CB 3.32Å; R50-Y54 PolarHBondContact O-N 3.32Å; R52-Y54 VanDerWaalsContact C-N 3.33Å; Y54-L61 HydrophobicContact CD1-CB 3.99Å; Y54-L61 HydrophobicContact CD1-CD2 3.77Å; Y54-L61 HydrophobicContact CE1-CD2 3.97Å; Y54-V136 HydrophobicContact CD1-CG1 4.19Å; Y54-V136 HydrophobicContact CD1-CG2 4.06Å; Y54-V136 HydrophobicContact CD2-CG1 3.9Å; Y54-V136 HydrophobicContact CD2-CG2 4.38Å; Y54-V136 HydrophobicContact CE1-CG1 4.46Å; Y54-V136 HydrophobicContact CE1-CG2 3.56Å; Y54-V136 HydrophobicContact CE2-CG1 4.22Å; Y54-V136 HydrophobicContact CE2-CG2 3.94Å; Y54-V136 HydrophobicContact CG-CG1 3.9Å; Y54-V136 HydrophobicContact CG-CG2 4.45Å | ||
| 55 | R | 79.9 | Confident | 83.7 | Confident | 151 Ų | 151 | 49 Ų | 49 | 57% | 0.57 | 24% | 0.24 | S | C | * | . | trans | -109.7 | 88.4 | 169.6 | -68.2 | -65.4 | 168.9 | -83.4 | 8.6 | 105.7 | R52 A53 G59 S60 | R52-R55 PolarHBondContact O-NH1 3.28Å; A53-R55 PolarHBondContact O-N 2.82Å; A53-R55 VanDerWaalsContact O-N 3.13Å; A53-R55 PolarHBondContact O-NH1 3.37Å; A53-R55 VanDerWaalsContact O-NH1 3.17Å; R55-G59 CarbonylContact C-O 3.36Å; R55-G59 VanDerWaalsContact CA-O 3.25Å; R55-G59 WeakPolarHBondContact CA-O 3.4Å; R55-S60 VanDerWaalsContact CZ-OG 3.3Å; R55-S60 PolarHBondContact NH1-OG 2.88Å; R55-S60 VanDerWaalsContact NH1-OG 3.15Å; R55-S60 PolarHBondContact NH2-OG 3.01Å | ||
| 56 | G | 69.9 | Low | 83.5 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 6% | 0.062 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -76.9 | -168.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | D58 G59 | G56-D58 PolarHBondContact O-N 2.95Å; G56-G59 PolarHBondContact N-O 3.46Å; G56-G59 WeakPolarHBondContact O-CA 3.43Å; G56-G59 PolarHBondContact O-N 2.89Å |
| 57 | E | 63.1 | Low | 83 | Confident | 85 Ų | 85 | 56.3 Ų | 56.3 | 40% | 0.397 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.5 | -58.6 | -174.2 | -69.5 | -105.7 | 114.3 | 0 | 0 | 111.6 | G59 S274 G275 K276 | E57-G59 PolarHBondContact O-N 2.63Å; E57-S274 CarbonylContact C-O 3.42Å; E57-S274 VanDerWaalsContact CA-O 3.29Å; E57-S274 WeakPolarHBondContact CA-O 3.45Å; E57-G275 WeakPolarHBondContact CB-O 3.43Å; E57-G275 VanDerWaalsContact CD-CA 3.4Å; E57-G275 VanDerWaalsContact CD-O 3.32Å; E57-G275 CarbonylContact O-C 3.58Å; E57-G275 VanDerWaalsContact O-C 3.28Å; E57-G275 WeakPolarHBondContact OE1-CA 3.33Å; E57-K276 WeakPolarHBondContact O-CA 3.46Å; E57-K276 WeakPolarHBondContact O-CG 3.4Å; E57-K276 PolarHBondContact O-N 3.35Å |
| 58 | D | 56.1 | Low | 82.6 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 32% | 0.321 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 11.2 | -178.6 | -105.2 | 23.8 | 0 | 0 | 0 | 115.7 | G56 K129 N278 | G56-D58 PolarHBondContact O-N 2.95Å; D58-K129 WeakPolarHBondContact OD2-CE 3.3Å; D58-K129 IonicContact OD2-NZ 2.78Å; D58-K129 PolarHBondContact OD2-NZ 3.36Å; D58-N278 PolarHBondContact OD1-ND2 3.46Å; D58-N278 PolarHBondContact OD2-ND2 3.41Å; D58-N278 VanDerWaalsContact OD2-ND2 3.14Å |
| 59 | G | 67.2 | Low | 81.7 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | 91.5 | -125.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R55 G56 E57 L61 | R55-G59 CarbonylContact C-O 3.36Å; R55-G59 VanDerWaalsContact CA-O 3.25Å; R55-G59 WeakPolarHBondContact CA-O 3.4Å; G56-G59 PolarHBondContact N-O 3.46Å; G56-G59 WeakPolarHBondContact O-CA 3.43Å; G56-G59 PolarHBondContact O-N 2.89Å; E57-G59 PolarHBondContact O-N 2.63Å; G59-L61 PolarHBondContact O-N 2.94Å |
| 60 | S | 79.6 | Confident | 81 | Confident | 22 Ų | 22 | 59 Ų | 59 | 15% | 0.154 | 29% | 0.285 | C | S | . | . | trans | -75.8 | 90.3 | -173.8 | -163.7 | 0 | 0 | 0 | 0 | 110.7 | R55 S62 E63 | R55-S60 VanDerWaalsContact CZ-OG 3.3Å; R55-S60 PolarHBondContact NH1-OG 2.88Å; R55-S60 VanDerWaalsContact NH1-OG 3.15Å; R55-S60 PolarHBondContact NH2-OG 3.01Å; S60-S62 PolarHBondContact O-N 2.79Å; S60-S62 VanDerWaalsContact O-N 3.14Å; S60-S62 PolarHBondContact OG-OG 2.96Å; S60-E63 WeakPolarHBondContact O-CB 3.23Å; S60-E63 PolarHBondContact O-N 2.79Å | ||
| 61 | L | 84.8 | Confident | 80.3 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -45.8 | -46.5 | 177.1 | 175.7 | 58.2 | 0 | 0 | 0 | 112 | Y54 G59 E63 T64 F65 K129 E132 L133 V136 | Y54-L61 HydrophobicContact CD1-CB 3.99Å; Y54-L61 HydrophobicContact CD1-CD2 3.77Å; Y54-L61 HydrophobicContact CE1-CD2 3.97Å; G59-L61 PolarHBondContact O-N 2.94Å; L61-E63 PolarHBondContact O-N 2.68Å; L61-T64 PolarHBondContact O-N 3.37Å; L61-T64 PolarHBondContact O-OG1 3.03Å; L61-F65 HydrophobicContact CD1-CE2 4.2Å; L61-K129 HydrophobicContact CD1-CB 3.91Å; L61-K129 HydrophobicContact CD1-CG 4.22Å; L61-E132 HydrophobicContact CD1-CB 4.19Å; L61-E132 HydrophobicContact CD1-CG 4.16Å; L61-E132 WeakPolarHBondContact CD1-OE2 3.18Å; L61-E132 HydrophobicContact CD2-CB 4.37Å; L61-E132 HydrophobicContact CD2-CG 3.85Å; L61-L133 HydrophobicContact CD2-CD1 4.48Å; L61-V136 HydrophobicContact CD2-CB 4.34Å; L61-V136 HydrophobicContact CD2-CG2 4.02Å |
| 62 | S | 83.4 | Confident | 79.2 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.8 | -23.8 | 176.1 | 53.5 | 0 | 0 | 0 | 0 | 115 | I51 R52 S60 T64 F65 M66 | I51-S62 WeakPolarHBondContact O-CB 3.49Å; R52-S62 PolarHBondContact O-OG 2.87Å; S60-S62 PolarHBondContact O-N 2.79Å; S60-S62 VanDerWaalsContact O-N 3.14Å; S60-S62 PolarHBondContact OG-OG 2.96Å; S62-T64 PolarHBondContact O-N 3.46Å; S62-F65 CarbonylContact O-C 3.57Å; S62-F65 PolarHBondContact O-N 3.4Å; S62-M66 VanDerWaalsContact O-CB 3.27Å; S62-M66 WeakPolarHBondContact O-CB 3.31Å; S62-M66 WeakPolarHBondContact O-CG 3.48Å; S62-M66 PolarHBondContact O-N 3.37Å |
| 63 | E | 82.6 | Confident | 78.4 | Confident | 148 Ų | 148 | 60.6 Ų | 60.6 | 69% | 0.692 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68.8 | -34.8 | -177.5 | -170 | 157.4 | -147.3 | 0 | 0 | 112 | S60 L61 F65 M66 | S60-E63 WeakPolarHBondContact O-CB 3.23Å; S60-E63 PolarHBondContact O-N 2.79Å; L61-E63 PolarHBondContact O-N 2.68Å; E63-F65 VanDerWaalsContact C-N 3.34Å; E63-F65 PolarHBondContact O-N 2.98Å; E63-M66 PolarHBondContact O-N 2.99Å |
| 64 | T | 84.8 | Confident | 78 | Confident | 52 Ų | 52 | 59.4 Ų | 59.4 | 32% | 0.319 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 172.4 | -43.7 | 0 | 0 | 0 | 0 | 111.4 | L61 S62 K129 | L61-T64 PolarHBondContact O-N 3.37Å; L61-T64 PolarHBondContact O-OG1 3.03Å; S62-T64 PolarHBondContact O-N 3.46Å; T64-K129 HydrophobicContact CG2-CD 4.13Å |
| 65 | F | 90.7 | Very high | 77.5 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -97.4 | 2.9 | -176.3 | -55.7 | -68.9 | 0 | 0 | 0 | 114.1 | L61 S62 E63 R67 D86 L87 I112 T116 K129 A130 L133 | L61-F65 HydrophobicContact CD1-CE2 4.2Å; S62-F65 CarbonylContact O-C 3.57Å; S62-F65 PolarHBondContact O-N 3.4Å; E63-F65 VanDerWaalsContact C-N 3.34Å; E63-F65 PolarHBondContact O-N 2.98Å; F65-R67 PolarHBondContact O-N 2.75Å; F65-D86 VanDerWaalsContact O-CB 3.31Å; F65-D86 WeakPolarHBondContact O-CB 3.36Å; F65-L87 HydrophobicContact CB-CD1 3.82Å; F65-L87 HydrophobicContact CB-CG 3.94Å; F65-L87 WeakPolarHBondContact O-CB 3.24Å; F65-L87 PolarHBondContact O-N 3.22Å; F65-I112 HydrophobicContact CB-CG2 4.21Å; F65-I112 HydrophobicContact CD1-CG2 3.61Å; F65-I112 HydrophobicContact CE1-CG2 4.33Å; F65-I112 HydrophobicContact CG-CG2 4.07Å; F65-T116 HydrophobicContact CE1-CG2 4.29Å; F65-K129 HydrophobicContact CE2-CB 3.66Å; F65-K129 VanDerWaalsContact CE2-O 3.27Å; F65-K129 WeakPolarHBondContact CE2-O 3.42Å; F65-K129 VanDerWaalsContact CZ-C 3.46Å; F65-K129 HydrophobicContact CZ-CB 3.69Å; F65-A130 HydrophobicContact CE1-CB 4.13Å; F65-A130 HydrophobicContact CZ-CB 3.89Å; F65-L133 HydrophobicContact CB-CD2 4.24Å; F65-L133 HydrophobicContact CD2-CB 4.28Å; F65-L133 HydrophobicContact CD2-CD1 4.36Å; F65-L133 HydrophobicContact CD2-CD2 3.73Å; F65-L133 HydrophobicContact CD2-CG 4.35Å; F65-L133 HydrophobicContact CE2-CB 4.13Å; F65-L133 HydrophobicContact CE2-CD2 4.24Å; F65-L133 HydrophobicContact CG-CD2 3.88Å |
| 66 | M | 89.2 | Confident | 77.5 | Confident | 42 Ų | 42 | 55.6 Ų | 55.6 | 21% | 0.207 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -72.3 | -15.4 | 178.2 | -98.1 | -64.9 | -62.2 | 0 | 0 | 113 | F48 S62 E63 L87 A88 | F48-M66 HydrophobicContact CZ-SD 4.38Å; S62-M66 VanDerWaalsContact O-CB 3.27Å; S62-M66 WeakPolarHBondContact O-CB 3.31Å; S62-M66 WeakPolarHBondContact O-CG 3.48Å; S62-M66 PolarHBondContact O-N 3.37Å; E63-M66 PolarHBondContact O-N 2.99Å; M66-L87 HydrophobicContact CG-CB 4.31Å; M66-L87 HydrophobicContact SD-CB 3.89Å; M66-A88 HydrophobicContact CE-CB 3.85Å; M66-A88 WeakPolarHBondContact O-CB 3.35Å; M66-A88 HydrophobicContact SD-CB 4.31Å |
| 67 | R | 81.6 | Confident | 78.2 | Confident | 198 Ų | 198 | 55.6 Ų | 55.6 | 75% | 0.747 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -149.5 | 132.9 | 171 | -70.2 | -171.7 | 171.6 | 144.7 | 2.2 | 111.6 | F65 D86 | F65-R67 PolarHBondContact O-N 2.75Å; R67-D86 WeakPolarHBondContact CA-OD2 3.48Å |
| 68 | L | 85.5 | Confident | 79.4 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -51.9 | 143 | 168.1 | -78.4 | 157.3 | 0 | 0 | 0 | 112.5 | T70 Y77 P84 M85 D86 | L68-T70 PolarHBondContact O-N 3.32Å; L68-Y77 HydrophobicContact CD2-CE1 3.79Å; L68-Y77 WeakPolarHBondContact CD2-OH 3.43Å; L68-P84 HydrophobicContact CD1-CB 3.8Å; L68-P84 HydrophobicContact CD2-CB 3.65Å; L68-P84 HydrophobicContact CG-CB 4.37Å; L68-M85 WeakPolarHBondContact CD2-O 3.36Å; L68-D86 HydrophobicContact CG-CB 4.03Å; L68-D86 WeakPolarHBondContact CG-OD2 3.34Å; L68-D86 PolarHBondContact N-OD2 3.22Å |
| 69 | P | 76.2 | Confident | 80.5 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 21% | 0.214 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -50.5 | 139.5 | 165.1 | -22.6 | 32.4 | 0 | 0 | 0 | 109.5 | N74 Y77 Y78 Y120 | P69-N74 HydrophobicContact CB-CB 4.33Å; P69-Y77 HydrophobicContact CG-CD2 4.2Å; P69-Y77 HydrophobicContact CG-CE2 4.25Å; P69-Y78 VanDerWaalsContact O-CE2 3.29Å; P69-Y78 WeakPolarHBondContact O-CE2 3.16Å; P69-Y78 PolarHBondContact O-OH 2.78Å; P69-Y120 HydrophobicContact CG-CE2 4.44Å; P69-Y120 VanDerWaalsContact CG-OH 3.26Å; P69-Y120 WeakPolarHBondContact CG-OH 2.98Å |
| 70 | T | 77.5 | Confident | 81.2 | Confident | 67 Ų | 67 | 60.9 Ų | 60.9 | 41% | 0.411 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 139.6 | -177.7 | 64.4 | 0 | 0 | 0 | 0 | 110.9 | L68 R72 S73 N74 | L68-T70 PolarHBondContact O-N 3.32Å; T70-R72 PolarHBondContact O-N 3.25Å; T70-S73 PolarHBondContact N-OG 2.66Å; T70-S73 PolarHBondContact O-N 3.08Å; T70-S73 PolarHBondContact O-OG 2.84Å; T70-S73 VanDerWaalsContact O-OG 3.06Å; T70-S73 PolarHBondContact OG1-N 2.86Å; T70-S73 PolarHBondContact OG1-OG 2.73Å; T70-S73 VanDerWaalsContact OG1-OG 3.06Å; T70-N74 PolarHBondContact O-N 2.73Å; T70-N74 VanDerWaalsContact O-N 3.11Å |
| 71 | R | 78.9 | Confident | 81.5 | Confident | 79 Ų | 79 | 60 Ų | 60 | 30% | 0.298 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 7.2 | 168.3 | -123 | -149.3 | -175.5 | -148.1 | -9.4 | 116.6 | Y78 Q467 D471 | R71-Y78 VanDerWaalsContact CA-CE2 3.44Å; R71-Y78 HydrophobicContact CB-CD2 3.91Å; R71-Y78 HydrophobicContact CB-CE2 3.74Å; R71-Y78 HydrophobicContact CB-CG 4.41Å; R71-Y78 HydrophobicContact CG-CD1 3.74Å; R71-Y78 HydrophobicContact CG-CD2 3.19Å; R71-Y78 HydrophobicContact CG-CE1 4.01Å; R71-Y78 HydrophobicContact CG-CE2 3.5Å; R71-Y78 HydrophobicContact CG-CG 3.29Å; R71-Y78 VanDerWaalsContact N-CE2 3.29Å; R71-Q467 VanDerWaalsContact CD-NE2 3.28Å; R71-D471 IonicContact NH1-OD1 2.7Å; R71-D471 IonicContact NH1-OD2 2.63Å; R71-D471 PolarHBondContact NH1-OD2 3.46Å |
| 72 | R | 68.9 | Low | 81.3 | Confident | 32 Ų | 32 | 71.1 Ų | 71.1 | 12% | 0.121 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | -12.8 | -170 | -87.1 | -162.9 | 179.7 | -163.8 | 17.2 | 112.7 | T70 L470 F485 L506 | T70-R72 PolarHBondContact O-N 3.25Å; R72-L470 HydrophobicContact CG-CD1 4.09Å; R72-L470 HydrophobicContact CG-CD2 4.29Å; R72-L470 VanDerWaalsContact CZ-CD2 3.4Å; R72-F485 HydrophobicContact CB-CE1 3.59Å; R72-F485 HydrophobicContact CB-CE2 4.41Å; R72-F485 HydrophobicContact CB-CZ 3.37Å; R72-F485 HydrophobicContact CG-CE1 3.89Å; R72-F485 HydrophobicContact CG-CE2 3.87Å; R72-F485 HydrophobicContact CG-CZ 3.28Å; R72-F485 VanDerWaalsContact O-CE1 3.26Å; R72-F485 WeakPolarHBondContact O-CE1 3.27Å; R72-F485 WeakPolarHBondContact O-CZ 3.3Å; R72-L506 VanDerWaalsContact NH1-C 3.25Å; R72-L506 PolarHBondContact NH1-O 2.7Å; R72-L506 PolarHBondContact NH2-O 2.73Å |
| 73 | S | 72.8 | Confident | 81.6 | Confident | 74 Ų | 74 | 77.2 Ų | 77.2 | 52% | 0.517 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -38.3 | 170.7 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | T70 | T70-S73 PolarHBondContact N-OG 2.66Å; T70-S73 PolarHBondContact O-N 3.08Å; T70-S73 PolarHBondContact O-OG 2.84Å; T70-S73 VanDerWaalsContact O-OG 3.06Å; T70-S73 PolarHBondContact OG1-N 2.86Å; T70-S73 PolarHBondContact OG1-OG 2.73Å; T70-S73 VanDerWaalsContact OG1-OG 3.06Å |
| 74 | N | 77.5 | Confident | 81.8 | Confident | 46 Ų | 46 | 71.4 Ų | 71.4 | 25% | 0.246 | 35% | 0.351 | C | S | . | . | trans | -128.8 | 84.3 | 178.1 | -50.7 | 49.3 | 0 | 0 | 0 | 106.2 | P69 T70 | P69-N74 HydrophobicContact CB-CB 4.33Å; T70-N74 PolarHBondContact O-N 2.73Å; T70-N74 VanDerWaalsContact O-N 3.11Å | ||
| 75 | P | 78 | Confident | 82.2 | Confident | 69 Ų | 69 | 69.9 Ų | 69.9 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -66.7 | -45.3 | 176.3 | 21.3 | -21.6 | 0 | 0 | 0 | 110.3 | Y77 Y78 | P75-Y77 PolarHBondContact O-N 2.75Å; P75-Y77 VanDerWaalsContact O-N 3.08Å; P75-Y78 PolarHBondContact O-N 3.37Å |
| 76 | D | 80.1 | Confident | 82.3 | Confident | 95 Ų | 95 | 70.2 Ų | 70.2 | 51% | 0.508 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -37.4 | 177.6 | -39.6 | 3.7 | 0 | 0 | 0 | 112.9 | Y78 E79 A80 F119 | D76-Y78 PolarHBondContact O-N 2.88Å; D76-E79 PolarHBondContact O-N 2.88Å; D76-A80 PolarHBondContact O-N 3.02Å; D76-A80 VanDerWaalsContact O-N 3.1Å; D76-F119 HydrophobicContact CB-CE2 3.52Å; D76-F119 HydrophobicContact CB-CZ 3.92Å |
| 77 | Y | 84.4 | Confident | 82.6 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 2% | 0.02 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -52.3 | -40.1 | 175.8 | 179.3 | -83.4 | 0 | 0 | 0 | 111.2 | L68 P69 P75 V81 P84 F119 Y120 | L68-Y77 HydrophobicContact CD2-CE1 3.79Å; L68-Y77 WeakPolarHBondContact CD2-OH 3.43Å; P69-Y77 HydrophobicContact CG-CD2 4.2Å; P69-Y77 HydrophobicContact CG-CE2 4.25Å; P75-Y77 PolarHBondContact O-N 2.75Å; P75-Y77 VanDerWaalsContact O-N 3.08Å; Y77-V81 HydrophobicContact CD1-CB 4.21Å; Y77-V81 HydrophobicContact CD1-CG2 4.32Å; Y77-V81 HydrophobicContact CD2-CG2 4.38Å; Y77-V81 HydrophobicContact CE1-CB 3.89Å; Y77-V81 HydrophobicContact CE1-CG1 4Å; Y77-V81 HydrophobicContact CE1-CG2 3.98Å; Y77-V81 HydrophobicContact CE2-CG2 4.02Å; Y77-V81 WeakPolarHBondContact O-CA 3.44Å; Y77-V81 WeakPolarHBondContact O-CB 2.94Å; Y77-V81 WeakPolarHBondContact O-CG2 3.5Å; Y77-V81 PolarHBondContact O-N 2.69Å; Y77-P84 HydrophobicContact CE1-CB 4.12Å; Y77-F119 HydrophobicContact CD2-CB 3.9Å; Y77-F119 AromaticContact CD2-CD1 3.49Å; Y77-F119 HydrophobicContact CD2-CD1 3.49Å; Y77-F119 VanDerWaalsContact CD2-CD1 3.49Å; Y77-F119 HydrophobicContact CD2-CE1 4.21Å; Y77-F119 AromaticContact CD2-CG 3.76Å; Y77-F119 HydrophobicContact CD2-CG 3.76Å; Y77-F119 HydrophobicContact CE2-CB 4.29Å; Y77-F119 HydrophobicContact CE2-CD1 4.4Å; Y77-F119 HydrophobicContact CG-CD1 4.23Å; Y77-F119 HydrophobicContact CG-CG 4.31Å; Y77-Y120 HydrophobicContact CD2-CD2 4.45Å; Y77-Y120 AromaticContact CD2-CE2 3.75Å; Y77-Y120 HydrophobicContact CD2-CE2 3.75Å; Y77-Y120 HydrophobicContact CE2-CD2 4.3Å; Y77-Y120 AromaticContact CE2-CE2 3.7Å; Y77-Y120 HydrophobicContact CE2-CE2 3.7Å |
| 78 | Y | 86.9 | Confident | 83.1 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -91.2 | 5.1 | -177 | -67.4 | -97.3 | 0 | 0 | 0 | 114.2 | P69 R71 P75 D76 P84 | P69-Y78 VanDerWaalsContact O-CE2 3.29Å; P69-Y78 WeakPolarHBondContact O-CE2 3.16Å; P69-Y78 PolarHBondContact O-OH 2.78Å; R71-Y78 VanDerWaalsContact CA-CE2 3.44Å; R71-Y78 HydrophobicContact CB-CD2 3.91Å; R71-Y78 HydrophobicContact CB-CE2 3.74Å; R71-Y78 HydrophobicContact CB-CG 4.41Å; R71-Y78 HydrophobicContact CG-CD1 3.74Å; R71-Y78 HydrophobicContact CG-CD2 3.19Å; R71-Y78 HydrophobicContact CG-CE1 4.01Å; R71-Y78 HydrophobicContact CG-CE2 3.5Å; R71-Y78 HydrophobicContact CG-CG 3.29Å; R71-Y78 VanDerWaalsContact N-CE2 3.29Å; P75-Y78 PolarHBondContact O-N 3.37Å; D76-Y78 PolarHBondContact O-N 2.88Å; Y78-P84 HydrophobicContact CD1-CB 4.4Å; Y78-P84 HydrophobicContact CD1-CG 3.96Å; Y78-P84 HydrophobicContact CE1-CB 4.02Å; Y78-P84 HydrophobicContact CE1-CG 3.75Å |
| 79 | E | 80.6 | Confident | 83.5 | Confident | 165 Ų | 165 | 65.5 Ų | 65.5 | 77% | 0.771 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -96.2 | -41 | 165.3 | -57.3 | -160.8 | 135.8 | 0 | 0 | 110.1 | D76 | D76-E79 PolarHBondContact O-N 2.88Å |
| 80 | A | 81.1 | Confident | 84.3 | Confident | 54 Ų | 54 | 64 Ų | 64 | 45% | 0.446 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.7 | -43.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D76 F119 | D76-A80 PolarHBondContact O-N 3.02Å; D76-A80 VanDerWaalsContact O-N 3.1Å; A80-F119 HydrophobicContact CB-CB 4.18Å; A80-F119 HydrophobicContact CB-CD2 3.86Å |
| 81 | V | 85.3 | Confident | 85.2 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | trans | -96.4 | 106.9 | -175.8 | 177 | 0 | 0 | 0 | 0 | 111.4 | Y77 P84 N115 F119 | Y77-V81 HydrophobicContact CD1-CB 4.21Å; Y77-V81 HydrophobicContact CD1-CG2 4.32Å; Y77-V81 HydrophobicContact CD2-CG2 4.38Å; Y77-V81 HydrophobicContact CE1-CB 3.89Å; Y77-V81 HydrophobicContact CE1-CG1 4Å; Y77-V81 HydrophobicContact CE1-CG2 3.98Å; Y77-V81 HydrophobicContact CE2-CG2 4.02Å; Y77-V81 WeakPolarHBondContact O-CA 3.44Å; Y77-V81 WeakPolarHBondContact O-CB 2.94Å; Y77-V81 WeakPolarHBondContact O-CG2 3.5Å; Y77-V81 PolarHBondContact O-N 2.69Å; V81-P84 HydrophobicContact CG1-CB 3.93Å; V81-N115 HydrophobicContact CG1-CB 3.68Å; V81-N115 WeakPolarHBondContact CG1-OD1 3.39Å; V81-N115 HydrophobicContact CG2-CB 4Å; V81-N115 VanDerWaalsContact CG2-O 3.31Å; V81-N115 WeakPolarHBondContact CG2-O 3.38Å; V81-F119 HydrophobicContact CG2-CB 4.08Å | ||
| 82 | R | 81.9 | Confident | 85.8 | Confident | 236 Ų | 236 | 61.3 Ų | 61.3 | 89% | 0.891 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -70.8 | -40.8 | 175.6 | -75.9 | -175.1 | 171.1 | -176.1 | -2 | 114.2 | P84 | R82-P84 VanDerWaalsContact C-CD 3.43Å; R82-P84 VanDerWaalsContact O-CD 3.25Å; R82-P84 WeakPolarHBondContact O-CD 3.41Å |
| 83 | E | 88.5 | Confident | 87 | Confident | 132 Ų | 132 | 61.9 Ų | 61.9 | 62% | 0.617 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -123 | 67.8 | -169.8 | -60.6 | -159.2 | 142.4 | 0 | 0 | 113 | M85 L111 N115 | E83-M85 PolarHBondContact O-N 2.73Å; E83-L111 HydrophobicContact CB-CD1 4.46Å; E83-L111 HydrophobicContact CB-CD2 4.08Å; E83-L111 WeakPolarHBondContact O-CD2 3.35Å; E83-N115 PolarHBondContact O-ND2 2.99Å |
| 84 | P | 87.1 | Confident | 88 | Confident | 26 Ų | 26 | 58.7 Ų | 58.7 | 17% | 0.169 | 29% | 0.294 | C | S | . | . | trans | -69.6 | 128.8 | -170.6 | 29 | -37.2 | 0 | 0 | 0 | 113.7 | L68 Y77 Y78 V81 R82 | L68-P84 HydrophobicContact CD1-CB 3.8Å; L68-P84 HydrophobicContact CD2-CB 3.65Å; L68-P84 HydrophobicContact CG-CB 4.37Å; Y77-P84 HydrophobicContact CE1-CB 4.12Å; Y78-P84 HydrophobicContact CD1-CB 4.4Å; Y78-P84 HydrophobicContact CD1-CG 3.96Å; Y78-P84 HydrophobicContact CE1-CB 4.02Å; Y78-P84 HydrophobicContact CE1-CG 3.75Å; V81-P84 HydrophobicContact CG1-CB 3.93Å; R82-P84 VanDerWaalsContact C-CD 3.43Å; R82-P84 VanDerWaalsContact O-CD 3.25Å; R82-P84 WeakPolarHBondContact O-CD 3.41Å | ||
| 85 | M | 92.8 | Very high | 88.6 | Confident | 20 Ų | 20 | 63.8 Ų | 63.8 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | trans | -126.6 | 151.8 | -175.6 | -169 | 61.5 | 68.6 | 0 | 0 | 111.6 | L68 E83 R89 I90 D108 L111 I112 | L68-M85 WeakPolarHBondContact CD2-O 3.36Å; E83-M85 PolarHBondContact O-N 2.73Å; M85-R89 HydrophobicContact SD-CB 3.9Å; M85-R89 HydrophobicContact SD-CG 3.83Å; M85-I90 HydrophobicContact CG-CG1 4.43Å; M85-I90 HydrophobicContact SD-CG1 4.4Å; M85-D108 HydrophobicContact CE-CB 4.19Å; M85-D108 VanDerWaalsContact CE-OD1 3.28Å; M85-D108 WeakPolarHBondContact CE-OD1 3.41Å; M85-D108 HydrophobicContact CG-CB 4.25Å; M85-D108 HydrophobicContact SD-CB 4.33Å; M85-L111 HydrophobicContact CB-CD2 4.34Å; M85-L111 HydrophobicContact CE-CD2 4.08Å; M85-I112 HydrophobicContact CB-CG1 3.79Å; M85-I112 HydrophobicContact CG-CD1 4.25Å; M85-I112 HydrophobicContact CG-CG1 3.68Å | ||
| 86 | D | 94 | Very high | 89.1 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | trans | -145.1 | 162.2 | 170.4 | 55.4 | 42.6 | 0 | 0 | 0 | 112.2 | F65 R67 L68 A88 R89 I90 | F65-D86 VanDerWaalsContact O-CB 3.31Å; F65-D86 WeakPolarHBondContact O-CB 3.36Å; R67-D86 WeakPolarHBondContact CA-OD2 3.48Å; L68-D86 HydrophobicContact CG-CB 4.03Å; L68-D86 WeakPolarHBondContact CG-OD2 3.34Å; L68-D86 PolarHBondContact N-OD2 3.22Å; D86-A88 PolarHBondContact O-N 2.87Å; D86-A88 PolarHBondContact OD1-N 2.87Å; D86-R89 WeakPolarHBondContact O-CA 3.49Å; D86-R89 VanDerWaalsContact O-CB 3.28Å; D86-R89 WeakPolarHBondContact O-CB 3.31Å; D86-R89 PolarHBondContact O-N 3.45Å; D86-R89 VanDerWaalsContact OD1-CB 3.31Å; D86-R89 WeakPolarHBondContact OD1-CB 3.41Å; D86-R89 PolarHBondContact OD1-N 3.37Å; D86-I90 PolarHBondContact O-N 2.8Å | ||
| 87 | L | 94.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -26.3 | 179.2 | -68.5 | 175.4 | 0 | 0 | 0 | 112.5 | F48 I51 F65 M66 R89 I90 Q91 I112 L133 | F48-L87 HydrophobicContact CE2-CB 4.16Å; F48-L87 HydrophobicContact CE2-CD2 4.48Å; F48-L87 VanDerWaalsContact CE2-O 3.32Å; F48-L87 WeakPolarHBondContact CE2-O 3.19Å; I51-L87 HydrophobicContact CG2-CD1 4.38Å; F65-L87 HydrophobicContact CB-CD1 3.82Å; F65-L87 HydrophobicContact CB-CG 3.94Å; F65-L87 WeakPolarHBondContact O-CB 3.24Å; F65-L87 PolarHBondContact O-N 3.22Å; M66-L87 HydrophobicContact CG-CB 4.31Å; M66-L87 HydrophobicContact SD-CB 3.89Å; L87-R89 VanDerWaalsContact C-N 3.32Å; L87-I90 HydrophobicContact CD2-CD1 4.34Å; L87-I90 PolarHBondContact O-N 3.34Å; L87-Q91 WeakPolarHBondContact O-CB 3.49Å; L87-Q91 PolarHBondContact O-N 3.06Å; L87-I112 HydrophobicContact CD2-CD1 3.98Å; L87-I112 HydrophobicContact CG-CD1 4.13Å; L87-L133 HydrophobicContact CD1-CD1 4.33Å |
| 88 | A | 92.8 | Very high | 89.7 | Confident | 33 Ų | 33 | 65.5 Ų | 65.5 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68 | -33.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M66 D86 A92 | M66-A88 HydrophobicContact CE-CB 3.85Å; M66-A88 WeakPolarHBondContact O-CB 3.35Å; M66-A88 HydrophobicContact SD-CB 4.31Å; D86-A88 PolarHBondContact O-N 2.87Å; D86-A88 PolarHBondContact OD1-N 2.87Å; A88-A92 WeakPolarHBondContact O-CB 3.24Å; A88-A92 PolarHBondContact O-N 2.85Å |
| 89 | R | 93.4 | Very high | 90 | Very high | 133 Ų | 133 | 63.6 Ų | 63.6 | 50% | 0.502 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -71.1 | -39.1 | 173.9 | -160.6 | 166.3 | -167.2 | 152.9 | -1.2 | 111.8 | M85 D86 L87 A92 K93 | M85-R89 HydrophobicContact SD-CB 3.9Å; M85-R89 HydrophobicContact SD-CG 3.83Å; D86-R89 WeakPolarHBondContact O-CA 3.49Å; D86-R89 VanDerWaalsContact O-CB 3.28Å; D86-R89 WeakPolarHBondContact O-CB 3.31Å; D86-R89 PolarHBondContact O-N 3.45Å; D86-R89 VanDerWaalsContact OD1-CB 3.31Å; D86-R89 WeakPolarHBondContact OD1-CB 3.41Å; D86-R89 PolarHBondContact OD1-N 3.37Å; L87-R89 VanDerWaalsContact C-N 3.32Å; R89-A92 WeakPolarHBondContact O-CB 3.16Å; R89-A92 PolarHBondContact O-N 2.84Å; R89-K93 PolarHBondContact O-N 2.92Å |
| 90 | I | 94.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 170.2 | -62.2 | -171.3 | 0 | 0 | 0 | 110.4 | F48 M85 D86 L87 A92 K93 I94 Y99 M105 D108 V109 I112 | F48-I90 HydrophobicContact CD2-CG2 4.18Å; M85-I90 HydrophobicContact CG-CG1 4.43Å; M85-I90 HydrophobicContact SD-CG1 4.4Å; D86-I90 PolarHBondContact O-N 2.8Å; L87-I90 HydrophobicContact CD2-CD1 4.34Å; L87-I90 PolarHBondContact O-N 3.34Å; I90-A92 PolarHBondContact O-N 2.81Å; I90-K93 PolarHBondContact O-N 2.78Å; I90-I94 HydrophobicContact CG2-CD1 4.29Å; I90-I94 WeakPolarHBondContact O-CG1 3.49Å; I90-I94 PolarHBondContact O-N 2.97Å; I90-Y99 HydrophobicContact CG2-CE2 4.04Å; I90-M105 HydrophobicContact CG2-CG 3.88Å; I90-M105 HydrophobicContact CG2-SD 3.84Å; I90-D108 HydrophobicContact CD1-CB 3.78Å; I90-D108 HydrophobicContact CG1-CB 3.99Å; I90-V109 HydrophobicContact CD1-CB 4.44Å; I90-V109 HydrophobicContact CD1-CG2 3.52Å; I90-I112 HydrophobicContact CD1-CD1 3.72Å; I90-I112 HydrophobicContact CG1-CD1 4.48Å |
| 91 | Q | 95.5 | Very high | 90.5 | Very high | 35 Ų | 35 | 62.1 Ų | 62.1 | 16% | 0.164 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.3 | -33.2 | 175.2 | -159.4 | 175.7 | 25.5 | 0 | 0 | 112.7 | F48 L87 K95 | F48-Q91 HydrophobicContact CD1-CG 4.23Å; F48-Q91 HydrophobicContact CE1-CB 4Å; F48-Q91 VanDerWaalsContact CE1-CD 3.41Å; F48-Q91 HydrophobicContact CE1-CG 3.59Å; F48-Q91 HydrophobicContact CE2-CB 3.83Å; F48-Q91 HydrophobicContact CE2-CG 4.34Å; F48-Q91 HydrophobicContact CZ-CB 3.52Å; F48-Q91 HydrophobicContact CZ-CG 3.67Å; L87-Q91 WeakPolarHBondContact O-CB 3.49Å; L87-Q91 PolarHBondContact O-N 3.06Å; Q91-K95 WeakPolarHBondContact O-CB 3.37Å; Q91-K95 WeakPolarHBondContact O-CG 3.3Å; Q91-K95 PolarHBondContact O-N 3.46Å |
| 92 | A | 91.2 | Very high | 90.8 | Very high | 56 Ų | 56 | 62.5 Ų | 62.5 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.9 | -36.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A88 R89 I90 A96 | A88-A92 WeakPolarHBondContact O-CB 3.24Å; A88-A92 PolarHBondContact O-N 2.85Å; R89-A92 WeakPolarHBondContact O-CB 3.16Å; R89-A92 PolarHBondContact O-N 2.84Å; I90-A92 PolarHBondContact O-N 2.81Å; A92-A96 VanDerWaalsContact O-CB 3.3Å; A92-A96 WeakPolarHBondContact O-CB 3.42Å; A92-A96 PolarHBondContact O-N 3.09Å |
| 93 | K | 95.2 | Very high | 91.2 | Very high | 43 Ų | 43 | 55 Ų | 55 | 19% | 0.187 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.8 | -43.8 | 174.7 | -77.2 | -173 | 63.4 | -177.2 | 0 | 112.3 | R89 I90 K95 A96 C97 E98 Y99 D108 | R89-K93 PolarHBondContact O-N 2.92Å; I90-K93 PolarHBondContact O-N 2.78Å; K93-K95 VanDerWaalsContact C-N 3.34Å; K93-K95 PolarHBondContact O-N 2.89Å; K93-A96 CarbonylContact O-C 3.5Å; K93-A96 PolarHBondContact O-N 2.89Å; K93-A96 VanDerWaalsContact O-N 3.1Å; K93-C97 PolarHBondContact O-N 2.96Å; K93-C97 VanDerWaalsContact O-N 3.16Å; K93-E98 HydrophobicContact CB-CB 4.02Å; K93-E98 WeakPolarHBondContact CE-O 3.35Å; K93-E98 HydrophobicContact CG-CB 4.09Å; K93-E98 PolarHBondContact O-N 3.44Å; K93-Y99 HydrophobicContact CB-CD2 4.01Å; K93-Y99 HydrophobicContact CB-CE1 4.36Å; K93-Y99 HydrophobicContact CB-CE2 3.4Å; K93-Y99 HydrophobicContact CD-CE1 4.13Å; K93-Y99 VanDerWaalsContact CE-CE1 3.4Å; K93-Y99 VanDerWaalsContact NZ-CE1 3.29Å; K93-D108 WeakPolarHBondContact CD-OD2 3.28Å; K93-D108 WeakPolarHBondContact CE-OD2 3.42Å; K93-D108 IonicContact NZ-OD1 3.35Å; K93-D108 IonicContact NZ-OD2 3.15Å; K93-D108 PolarHBondContact NZ-OD2 2.85Å |
| 94 | I | 93.6 | Very high | 91.4 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.7 | -49.9 | 172.9 | -57.2 | 167.7 | 0 | 0 | 0 | 109.9 | L41 C44 Q45 F48 I90 A96 C97 Y99 M105 | L41-I94 HydrophobicContact CD1-CG2 4.08Å; C44-I94 HydrophobicContact CB-CG1 4.41Å; Q45-I94 HydrophobicContact CB-CG2 4.09Å; F48-I94 HydrophobicContact CB-CD1 3.53Å; F48-I94 HydrophobicContact CD2-CD1 4.09Å; F48-I94 HydrophobicContact CG-CD1 3.81Å; I90-I94 HydrophobicContact CG2-CD1 4.29Å; I90-I94 WeakPolarHBondContact O-CG1 3.49Å; I90-I94 PolarHBondContact O-N 2.97Å; I94-A96 PolarHBondContact O-N 3.06Å; I94-A96 VanDerWaalsContact O-N 3.16Å; I94-C97 PolarHBondContact O-N 2.98Å; I94-Y99 HydrophobicContact CG1-CD2 3.73Å; I94-Y99 HydrophobicContact CG1-CE2 3.75Å; I94-M105 HydrophobicContact CD1-SD 3.88Å; I94-M105 HydrophobicContact CG1-SD 4.24Å |
| 95 | K | 89.5 | Confident | 91.7 | Very high | 153 Ų | 153 | 50.8 Ų | 50.8 | 67% | 0.665 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -10.7 | 179 | -73.2 | -176 | 175.6 | -173.9 | 0 | 115.4 | Q91 K93 | Q91-K95 WeakPolarHBondContact O-CB 3.37Å; Q91-K95 WeakPolarHBondContact O-CG 3.3Å; Q91-K95 PolarHBondContact O-N 3.46Å; K93-K95 VanDerWaalsContact C-N 3.34Å; K93-K95 PolarHBondContact O-N 2.89Å |
| 96 | A | 89.1 | Confident | 91.8 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 33% | 0.331 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A92 K93 I94 E98 | A92-A96 VanDerWaalsContact O-CB 3.3Å; A92-A96 WeakPolarHBondContact O-CB 3.42Å; A92-A96 PolarHBondContact O-N 3.09Å; K93-A96 CarbonylContact O-C 3.5Å; K93-A96 PolarHBondContact O-N 2.89Å; K93-A96 VanDerWaalsContact O-N 3.1Å; I94-A96 PolarHBondContact O-N 3.06Å; I94-A96 VanDerWaalsContact O-N 3.16Å; A96-E98 HydrophobicContact CB-CG 3.73Å; A96-E98 WeakPolarHBondContact CB-OE1 3.49Å; A96-E98 PolarHBondContact O-N 2.61Å |
| 97 | C | 89.5 | Confident | 91.8 | Very high | 89 Ų | 89 | 53.3 Ų | 53.3 | 60% | 0.601 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 32.8 | -171 | -49.7 | 0 | 0 | 0 | 0 | 112.9 | L41 K93 I94 Y99 | L41-C97 HydrophobicContact CD2-CB 4.16Å; L41-C97 VanDerWaalsContact CD2-SG 3.6Å; K93-C97 PolarHBondContact O-N 2.96Å; K93-C97 VanDerWaalsContact O-N 3.16Å; I94-C97 PolarHBondContact O-N 2.98Å; C97-Y99 PolarHBondContact O-N 3.08Å |
| 98 | E | 88.6 | Confident | 91.8 | Very high | 77 Ų | 77 | 54 Ų | 54 | 36% | 0.36 | 29% | 0.29 | S | S | . | . | trans | -86.8 | 21.4 | -179.8 | -67.9 | 176.8 | -153.6 | 0 | 0 | 112.8 | K93 A96 R456 | K93-E98 HydrophobicContact CB-CB 4.02Å; K93-E98 WeakPolarHBondContact CE-O 3.35Å; K93-E98 HydrophobicContact CG-CB 4.09Å; K93-E98 PolarHBondContact O-N 3.44Å; A96-E98 HydrophobicContact CB-CG 3.73Å; A96-E98 WeakPolarHBondContact CB-OE1 3.49Å; A96-E98 PolarHBondContact O-N 2.61Å; E98-R456 IonicContact OE1-CZ 3.92Å; E98-R456 VanDerWaalsContact OE1-CZ 3.23Å; E98-R456 IonicContact OE1-NH1 2.68Å; E98-R456 PolarHBondContact OE1-NH1 2.97Å; E98-R456 IonicContact OE1-NH2 2.99Å; E98-R456 PolarHBondContact OE1-NH2 3.41Å; E98-R456 IonicContact OE2-NH1 3.13Å | ||
| 99 | Y | 91.5 | Very high | 91.9 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | trans | -132.5 | 122.3 | 171.4 | -65.4 | -58 | 0 | 0 | 0 | 110.6 | I90 K93 I94 C97 Q104 M105 D108 | I90-Y99 HydrophobicContact CG2-CE2 4.04Å; K93-Y99 HydrophobicContact CB-CD2 4.01Å; K93-Y99 HydrophobicContact CB-CE1 4.36Å; K93-Y99 HydrophobicContact CB-CE2 3.4Å; K93-Y99 HydrophobicContact CD-CE1 4.13Å; K93-Y99 VanDerWaalsContact CE-CE1 3.4Å; K93-Y99 VanDerWaalsContact NZ-CE1 3.29Å; I94-Y99 HydrophobicContact CG1-CD2 3.73Å; I94-Y99 HydrophobicContact CG1-CE2 3.75Å; C97-Y99 PolarHBondContact O-N 3.08Å; Y99-Q104 HydrophobicContact CD1-CB 4.27Å; Y99-Q104 WeakPolarHBondContact CD1-O 3.36Å; Y99-Q104 WeakPolarHBondContact CE1-O 3.43Å; Y99-M105 HydrophobicContact CD1-CB 4.1Å; Y99-M105 HydrophobicContact CD2-CB 4.28Å; Y99-M105 HydrophobicContact CD2-CG 4.45Å; Y99-M105 HydrophobicContact CE1-CB 4.03Å; Y99-M105 HydrophobicContact CE1-CG 4.42Å; Y99-M105 HydrophobicContact CE2-CB 4.21Å; Y99-M105 HydrophobicContact CE2-CG 4Å; Y99-M105 HydrophobicContact CE2-SD 4.31Å; Y99-M105 HydrophobicContact CG-CB 4.24Å; Y99-D108 WeakPolarHBondContact CE1-OD2 3.23Å; Y99-D108 VanDerWaalsContact CZ-OD2 3.28Å; Y99-D108 PolarHBondContact OH-OD2 3.44Å | ||
| 100 | E | 82.7 | Confident | 91.9 | Very high | 154 Ų | 154 | 49 Ų | 49 | 72% | 0.72 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -89.5 | -25 | 175.9 | -62.7 | 169.8 | 135.2 | 0 | 0 | 112.2 | Q40 Q104 | Q40-E100 WeakPolarHBondContact CB-O 3.24Å; E100-Q104 PolarHBondContact OE2-NE2 3.09Å |
| 101 | S | 90.3 | Very high | 92 | Very high | 34 Ų | 34 | 51 Ų | 51 | 24% | 0.238 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -146.6 | 159.8 | 176.7 | 78.4 | 0 | 0 | 0 | 0 | 113.3 | Q40 D103 Q104 M105 | Q40-S101 VanDerWaalsContact OE1-CA 3.31Å; S101-D103 PolarHBondContact O-N 3.02Å; S101-D103 PolarHBondContact OG-N 2.97Å; S101-Q104 WeakPolarHBondContact O-CB 3.18Å; S101-Q104 PolarHBondContact O-N 3.44Å; S101-Q104 PolarHBondContact OG-N 3Å; S101-M105 PolarHBondContact O-N 2.83Å |
| 102 | V | 90.5 | Very high | 91.9 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.2 | -33.1 | 172.8 | 171.9 | 0 | 0 | 0 | 0 | 112.2 | L43 L47 Q104 M105 A106 R141 | L43-V102 HydrophobicContact CB-CG2 3.79Å; L47-V102 HydrophobicContact CD1-CG1 3.62Å; L47-V102 HydrophobicContact CD1-CG2 4.44Å; V102-Q104 VanDerWaalsContact C-N 3.31Å; V102-Q104 PolarHBondContact O-N 3Å; V102-M105 WeakPolarHBondContact O-CB 3.33Å; V102-M105 PolarHBondContact O-N 3.02Å; V102-M105 VanDerWaalsContact O-N 3.17Å; V102-A106 PolarHBondContact O-N 3.13Å; V102-R141 HydrophobicContact CG1-CG 4.18Å |
| 103 | D | 91.4 | Very high | 92 | Very high | 78 Ų | 78 | 47 Ų | 47 | 42% | 0.417 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -71 | -28.6 | 178 | -55.9 | -56.6 | 0 | 0 | 0 | 112.3 | S101 M105 A106 T107 R141 | S101-D103 PolarHBondContact O-N 3.02Å; S101-D103 PolarHBondContact OG-N 2.97Å; D103-M105 VanDerWaalsContact C-N 3.28Å; D103-M105 PolarHBondContact O-N 3.39Å; D103-A106 WeakPolarHBondContact O-CB 3.42Å; D103-A106 PolarHBondContact O-N 2.88Å; D103-T107 PolarHBondContact O-N 2.53Å; D103-T107 VanDerWaalsContact O-N 3.13Å; D103-T107 PolarHBondContact O-OG1 2.68Å; D103-R141 IonicContact OD1-CZ 3.22Å; D103-R141 IonicContact OD1-NE 2.82Å; D103-R141 PolarHBondContact OD1-NE 2.95Å; D103-R141 IonicContact OD1-NH2 2.71Å; D103-R141 PolarHBondContact OD1-NH2 2.83Å |
| 104 | Q | 91.9 | Very high | 91.9 | Very high | 68 Ų | 68 | 47.4 Ų | 47.4 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -72.7 | -21.5 | 173 | -148.1 | 179.6 | 61.5 | 0 | 0 | 112.1 | Y99 E100 S101 V102 T107 | Y99-Q104 HydrophobicContact CD1-CB 4.27Å; Y99-Q104 WeakPolarHBondContact CD1-O 3.36Å; Y99-Q104 WeakPolarHBondContact CE1-O 3.43Å; E100-Q104 PolarHBondContact OE2-NE2 3.09Å; S101-Q104 WeakPolarHBondContact O-CB 3.18Å; S101-Q104 PolarHBondContact O-N 3.44Å; S101-Q104 PolarHBondContact OG-N 3Å; V102-Q104 VanDerWaalsContact C-N 3.31Å; V102-Q104 PolarHBondContact O-N 3Å; Q104-T107 PolarHBondContact O-OG1 2.96Å |
| 105 | M | 94.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -82.7 | -35.3 | 165.9 | -174.1 | 172.4 | 71.6 | 0 | 0 | 111.8 | C44 L47 I90 I94 Y99 S101 V102 D103 T107 D108 V109 F137 | C44-M105 HydrophobicContact CB-CE 3.98Å; C44-M105 HydrophobicContact CB-SD 3.89Å; L47-M105 HydrophobicContact CB-CE 3.73Å; L47-M105 HydrophobicContact CD1-CE 4.31Å; L47-M105 HydrophobicContact CG-CE 4.46Å; I90-M105 HydrophobicContact CG2-CG 3.88Å; I90-M105 HydrophobicContact CG2-SD 3.84Å; I94-M105 HydrophobicContact CD1-SD 3.88Å; I94-M105 HydrophobicContact CG1-SD 4.24Å; Y99-M105 HydrophobicContact CD1-CB 4.1Å; Y99-M105 HydrophobicContact CD2-CB 4.28Å; Y99-M105 HydrophobicContact CD2-CG 4.45Å; Y99-M105 HydrophobicContact CE1-CB 4.03Å; Y99-M105 HydrophobicContact CE1-CG 4.42Å; Y99-M105 HydrophobicContact CE2-CB 4.21Å; Y99-M105 HydrophobicContact CE2-CG 4Å; Y99-M105 HydrophobicContact CE2-SD 4.31Å; Y99-M105 HydrophobicContact CG-CB 4.24Å; S101-M105 PolarHBondContact O-N 2.83Å; V102-M105 WeakPolarHBondContact O-CB 3.33Å; V102-M105 PolarHBondContact O-N 3.02Å; V102-M105 VanDerWaalsContact O-N 3.17Å; D103-M105 VanDerWaalsContact C-N 3.28Å; D103-M105 PolarHBondContact O-N 3.39Å; M105-T107 VanDerWaalsContact C-N 3.27Å; M105-T107 PolarHBondContact O-N 2.91Å; M105-D108 PolarHBondContact O-N 2.7Å; M105-D108 VanDerWaalsContact O-N 3.14Å; M105-V109 PolarHBondContact O-N 3.22Å; M105-F137 HydrophobicContact CE-CE2 4.14Å |
| 106 | A | 93.9 | Very high | 91.9 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -35.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V102 D103 V109 N110 F137 | V102-A106 PolarHBondContact O-N 3.13Å; D103-A106 WeakPolarHBondContact O-CB 3.42Å; D103-A106 PolarHBondContact O-N 2.88Å; A106-V109 PolarHBondContact O-N 3.12Å; A106-N110 VanDerWaalsContact O-CB 3.31Å; A106-N110 WeakPolarHBondContact O-CB 3.3Å; A106-N110 PolarHBondContact O-N 3.15Å; A106-N110 PolarHBondContact O-ND2 2.83Å; A106-F137 VanDerWaalsContact CA-CZ 3.46Å; A106-F137 HydrophobicContact CB-CE1 3.56Å; A106-F137 HydrophobicContact CB-CZ 3.51Å |
| 107 | T | 94.4 | Very high | 91.9 | Very high | 88 Ų | 88 | 42.1 Ų | 42.1 | 54% | 0.54 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.1 | -42.6 | 173.6 | 36.6 | 0 | 0 | 0 | 0 | 112.7 | D103 Q104 M105 L111 | D103-T107 PolarHBondContact O-N 2.53Å; D103-T107 VanDerWaalsContact O-N 3.13Å; D103-T107 PolarHBondContact O-OG1 2.68Å; Q104-T107 PolarHBondContact O-OG1 2.96Å; M105-T107 VanDerWaalsContact C-N 3.27Å; M105-T107 PolarHBondContact O-N 2.91Å; T107-L111 WeakPolarHBondContact O-CB 3.02Å; T107-L111 PolarHBondContact O-N 2.84Å |
| 108 | D | 95.2 | Very high | 91.8 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 10% | 0.096 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.8 | -35.9 | 177.2 | -75.1 | -22.8 | 0 | 0 | 0 | 112.4 | M85 I90 K93 Y99 M105 L111 I112 | M85-D108 HydrophobicContact CE-CB 4.19Å; M85-D108 VanDerWaalsContact CE-OD1 3.28Å; M85-D108 WeakPolarHBondContact CE-OD1 3.41Å; M85-D108 HydrophobicContact CG-CB 4.25Å; M85-D108 HydrophobicContact SD-CB 4.33Å; I90-D108 HydrophobicContact CD1-CB 3.78Å; I90-D108 HydrophobicContact CG1-CB 3.99Å; K93-D108 WeakPolarHBondContact CD-OD2 3.28Å; K93-D108 WeakPolarHBondContact CE-OD2 3.42Å; K93-D108 IonicContact NZ-OD1 3.35Å; K93-D108 IonicContact NZ-OD2 3.15Å; K93-D108 PolarHBondContact NZ-OD2 2.85Å; Y99-D108 WeakPolarHBondContact CE1-OD2 3.23Å; Y99-D108 VanDerWaalsContact CZ-OD2 3.28Å; Y99-D108 PolarHBondContact OH-OD2 3.44Å; M105-D108 PolarHBondContact O-N 2.7Å; M105-D108 VanDerWaalsContact O-N 3.14Å; D108-L111 WeakPolarHBondContact O-CB 3.38Å; D108-L111 PolarHBondContact O-N 3.34Å; D108-I112 PolarHBondContact O-N 2.88Å; D108-I112 VanDerWaalsContact O-N 3.08Å |
| 109 | V | 94.5 | Very high | 91.8 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.5 | -47.2 | 174.3 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | I90 M105 A106 L111 I112 V113 L133 F137 | I90-V109 HydrophobicContact CD1-CB 4.44Å; I90-V109 HydrophobicContact CD1-CG2 3.52Å; M105-V109 PolarHBondContact O-N 3.22Å; A106-V109 PolarHBondContact O-N 3.12Å; V109-L111 PolarHBondContact O-N 3.42Å; V109-I112 WeakPolarHBondContact O-CB 3.38Å; V109-I112 PolarHBondContact O-N 2.91Å; V109-V113 WeakPolarHBondContact O-CG2 3.44Å; V109-V113 PolarHBondContact O-N 3.1Å; V109-V113 VanDerWaalsContact O-N 3.12Å; V109-L133 HydrophobicContact CG1-CD2 4.47Å; V109-L133 HydrophobicContact CG1-CG 4.49Å; V109-F137 HydrophobicContact CB-CD2 4.04Å; V109-F137 HydrophobicContact CB-CE2 4.16Å; V109-F137 HydrophobicContact CB-CG 4.42Å; V109-F137 HydrophobicContact CG1-CB 4.11Å; V109-F137 HydrophobicContact CG1-CD2 3.83Å; V109-F137 HydrophobicContact CG1-CE2 4.46Å; V109-F137 HydrophobicContact CG1-CG 3.9Å; V109-F137 HydrophobicContact CG2-CD2 3.73Å; V109-F137 HydrophobicContact CG2-CE2 3.71Å |
| 110 | N | 94.2 | Very high | 91.5 | Very high | 58 Ų | 58 | 40.7 Ų | 40.7 | 31% | 0.31 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59 | -30.5 | 173.7 | -78.9 | -61.7 | 0 | 0 | 0 | 112.1 | A106 V113 A114 Q134 | A106-N110 VanDerWaalsContact O-CB 3.31Å; A106-N110 WeakPolarHBondContact O-CB 3.3Å; A106-N110 PolarHBondContact O-N 3.15Å; A106-N110 PolarHBondContact O-ND2 2.83Å; N110-V113 PolarHBondContact O-N 2.77Å; N110-A114 VanDerWaalsContact O-CB 3.3Å; N110-A114 WeakPolarHBondContact O-CB 3.2Å; N110-A114 PolarHBondContact O-N 3.23Å; N110-Q134 PolarHBondContact OD1-NE2 2.79Å |
| 111 | L | 94.7 | Very high | 91.4 | Very high | 43 Ų | 43 | 37.3 Ų | 37.3 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.9 | -41.3 | 174 | -160.7 | 66.1 | 0 | 0 | 0 | 112.1 | E83 M85 T107 D108 V109 V113 N115 | E83-L111 HydrophobicContact CB-CD1 4.46Å; E83-L111 HydrophobicContact CB-CD2 4.08Å; E83-L111 WeakPolarHBondContact O-CD2 3.35Å; M85-L111 HydrophobicContact CB-CD2 4.34Å; M85-L111 HydrophobicContact CE-CD2 4.08Å; T107-L111 WeakPolarHBondContact O-CB 3.02Å; T107-L111 PolarHBondContact O-N 2.84Å; D108-L111 WeakPolarHBondContact O-CB 3.38Å; D108-L111 PolarHBondContact O-N 3.34Å; V109-L111 PolarHBondContact O-N 3.42Å; L111-V113 VanDerWaalsContact C-N 3.25Å; L111-V113 PolarHBondContact O-N 3.34Å; L111-N115 WeakPolarHBondContact O-CB 3.21Å; L111-N115 PolarHBondContact O-N 3.34Å; L111-N115 PolarHBondContact O-ND2 3.21Å |
| 112 | I | 94.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54 | -47.9 | 170.2 | -62.6 | 171.9 | 0 | 0 | 0 | 109.7 | F65 M85 L87 I90 D108 V109 T116 L133 | F65-I112 HydrophobicContact CB-CG2 4.21Å; F65-I112 HydrophobicContact CD1-CG2 3.61Å; F65-I112 HydrophobicContact CE1-CG2 4.33Å; F65-I112 HydrophobicContact CG-CG2 4.07Å; M85-I112 HydrophobicContact CB-CG1 3.79Å; M85-I112 HydrophobicContact CG-CD1 4.25Å; M85-I112 HydrophobicContact CG-CG1 3.68Å; L87-I112 HydrophobicContact CD2-CD1 3.98Å; L87-I112 HydrophobicContact CG-CD1 4.13Å; I90-I112 HydrophobicContact CD1-CD1 3.72Å; I90-I112 HydrophobicContact CG1-CD1 4.48Å; D108-I112 PolarHBondContact O-N 2.88Å; D108-I112 VanDerWaalsContact O-N 3.08Å; V109-I112 WeakPolarHBondContact O-CB 3.38Å; V109-I112 PolarHBondContact O-N 2.91Å; I112-T116 WeakPolarHBondContact O-CB 3.35Å; I112-T116 PolarHBondContact O-N 2.86Å; I112-T116 PolarHBondContact O-OG1 2.86Å; I112-L133 HydrophobicContact CG2-CD2 3.99Å |
| 113 | V | 93.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.7 | -48.7 | -176.2 | 178.9 | 0 | 0 | 0 | 0 | 112 | V109 N110 L111 N115 T116 K117 A130 L133 Q134 | V109-V113 WeakPolarHBondContact O-CG2 3.44Å; V109-V113 PolarHBondContact O-N 3.1Å; V109-V113 VanDerWaalsContact O-N 3.12Å; N110-V113 PolarHBondContact O-N 2.77Å; L111-V113 VanDerWaalsContact C-N 3.25Å; L111-V113 PolarHBondContact O-N 3.34Å; V113-N115 PolarHBondContact O-N 2.95Å; V113-T116 PolarHBondContact O-N 2.89Å; V113-K117 HydrophobicContact CG1-CD 3.75Å; V113-K117 HydrophobicContact CG1-CG 4.36Å; V113-K117 WeakPolarHBondContact O-CB 3.29Å; V113-K117 VanDerWaalsContact O-CG 3.29Å; V113-K117 WeakPolarHBondContact O-CG 3.16Å; V113-K117 PolarHBondContact O-N 2.89Å; V113-A130 HydrophobicContact CG1-CB 4.29Å; V113-A130 WeakPolarHBondContact CG1-O 3.21Å; V113-A130 WeakPolarHBondContact CG2-O 3.49Å; V113-L133 HydrophobicContact CG2-CD2 4.39Å; V113-Q134 HydrophobicContact CG1-CB 4.31Å; V113-Q134 HydrophobicContact CG2-CB 4.12Å |
| 114 | A | 92.6 | Very high | 90.1 | Very high | 53 Ų | 53 | 42.2 Ų | 42.2 | 44% | 0.438 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N110 T116 K117 A118 | N110-A114 VanDerWaalsContact O-CB 3.3Å; N110-A114 WeakPolarHBondContact O-CB 3.2Å; N110-A114 PolarHBondContact O-N 3.23Å; A114-T116 VanDerWaalsContact C-N 3.31Å; A114-T116 PolarHBondContact O-N 3.49Å; A114-K117 PolarHBondContact O-N 2.98Å; A114-A118 VanDerWaalsContact O-CB 3.27Å; A114-A118 WeakPolarHBondContact O-CB 3.07Å; A114-A118 PolarHBondContact O-N 2.83Å |
| 115 | N | 91.6 | Very high | 89.7 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 8% | 0.08 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 175.8 | -71.6 | -23.1 | 0 | 0 | 0 | 112 | V81 E83 L111 V113 A118 F119 | V81-N115 HydrophobicContact CG1-CB 3.68Å; V81-N115 WeakPolarHBondContact CG1-OD1 3.39Å; V81-N115 HydrophobicContact CG2-CB 4Å; V81-N115 VanDerWaalsContact CG2-O 3.31Å; V81-N115 WeakPolarHBondContact CG2-O 3.38Å; E83-N115 PolarHBondContact O-ND2 2.99Å; L111-N115 WeakPolarHBondContact O-CB 3.21Å; L111-N115 PolarHBondContact O-N 3.34Å; L111-N115 PolarHBondContact O-ND2 3.21Å; V113-N115 PolarHBondContact O-N 2.95Å; N115-A118 PolarHBondContact O-N 3.2Å; N115-F119 PolarHBondContact O-N 3.46Å |
| 116 | T | 90.6 | Very high | 89.3 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.6 | -43.8 | 179.7 | -51.6 | 0 | 0 | 0 | 0 | 110.2 | F65 I112 V113 A114 A118 F119 Y120 E126 A130 | F65-T116 HydrophobicContact CE1-CG2 4.29Å; I112-T116 WeakPolarHBondContact O-CB 3.35Å; I112-T116 PolarHBondContact O-N 2.86Å; I112-T116 PolarHBondContact O-OG1 2.86Å; V113-T116 PolarHBondContact O-N 2.89Å; A114-T116 VanDerWaalsContact C-N 3.31Å; A114-T116 PolarHBondContact O-N 3.49Å; T116-A118 PolarHBondContact O-N 3.38Å; T116-F119 PolarHBondContact O-N 2.75Å; T116-Y120 HydrophobicContact CG2-CD2 3.74Å; T116-Y120 HydrophobicContact CG2-CE2 4.41Å; T116-Y120 HydrophobicContact CG2-CG 4.43Å; T116-Y120 WeakPolarHBondContact O-CB 3.1Å; T116-Y120 PolarHBondContact O-N 2.67Å; T116-E126 HydrophobicContact CG2-CB 3.81Å; T116-E126 VanDerWaalsContact CG2-O 3.27Å; T116-E126 WeakPolarHBondContact CG2-O 3.29Å; T116-A130 HydrophobicContact CG2-CB 3.77Å |
| 117 | K | 89.9 | Confident | 89.2 | Confident | 70 Ų | 70 | 46 Ų | 46 | 30% | 0.304 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.2 | -19.6 | 174.5 | -68.4 | 175.6 | 177.9 | 170.8 | 0 | 114.3 | V113 A114 F127 | V113-K117 HydrophobicContact CG1-CD 3.75Å; V113-K117 HydrophobicContact CG1-CG 4.36Å; V113-K117 WeakPolarHBondContact O-CB 3.29Å; V113-K117 VanDerWaalsContact O-CG 3.29Å; V113-K117 WeakPolarHBondContact O-CG 3.16Å; V113-K117 PolarHBondContact O-N 2.89Å; A114-K117 PolarHBondContact O-N 2.98Å; K117-F127 HydrophobicContact CB-CD2 4.08Å; K117-F127 HydrophobicContact CB-CE2 3.69Å; K117-F127 HydrophobicContact CB-CZ 4.32Å; K117-F127 HydrophobicContact CD-CZ 4.39Å; K117-F127 HydrophobicContact CG-CD2 3.88Å; K117-F127 HydrophobicContact CG-CE1 4.36Å; K117-F127 HydrophobicContact CG-CE2 3.6Å; K117-F127 HydrophobicContact CG-CG 4.4Å; K117-F127 HydrophobicContact CG-CZ 3.86Å |
| 118 | A | 87.8 | Confident | 88.9 | Confident | 68 Ų | 68 | 44.1 Ų | 44.1 | 56% | 0.562 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -89.3 | -30 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A114 N115 T116 | A114-A118 VanDerWaalsContact O-CB 3.27Å; A114-A118 WeakPolarHBondContact O-CB 3.07Å; A114-A118 PolarHBondContact O-N 2.83Å; N115-A118 PolarHBondContact O-N 3.2Å; T116-A118 PolarHBondContact O-N 3.38Å |
| 119 | F | 87.8 | Confident | 88.7 | Confident | 53 Ų | 53 | 44.2 Ų | 44.2 | 23% | 0.232 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -100.8 | -49.2 | 177.4 | 176.5 | -102.8 | 0 | 0 | 0 | 113.2 | D76 Y77 A80 V81 N115 T116 | D76-F119 HydrophobicContact CB-CE2 3.52Å; D76-F119 HydrophobicContact CB-CZ 3.92Å; Y77-F119 HydrophobicContact CD2-CB 3.9Å; Y77-F119 AromaticContact CD2-CD1 3.49Å; Y77-F119 HydrophobicContact CD2-CD1 3.49Å; Y77-F119 VanDerWaalsContact CD2-CD1 3.49Å; Y77-F119 HydrophobicContact CD2-CE1 4.21Å; Y77-F119 AromaticContact CD2-CG 3.76Å; Y77-F119 HydrophobicContact CD2-CG 3.76Å; Y77-F119 HydrophobicContact CE2-CB 4.29Å; Y77-F119 HydrophobicContact CE2-CD1 4.4Å; Y77-F119 HydrophobicContact CG-CD1 4.23Å; Y77-F119 HydrophobicContact CG-CG 4.31Å; A80-F119 HydrophobicContact CB-CB 4.18Å; A80-F119 HydrophobicContact CB-CD2 3.86Å; V81-F119 HydrophobicContact CG2-CB 4.08Å; N115-F119 PolarHBondContact O-N 3.46Å; T116-F119 PolarHBondContact O-N 2.75Å |
| 120 | Y | 85.1 | Confident | 88.6 | Confident | 22 Ų | 22 | 44.1 Ų | 44.1 | 9% | 0.086 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -78.9 | 127.8 | -178.9 | -68.2 | -84.8 | 0 | 0 | 0 | 108.5 | P69 Y77 T116 T124 E126 F127 | P69-Y120 HydrophobicContact CG-CE2 4.44Å; P69-Y120 VanDerWaalsContact CG-OH 3.26Å; P69-Y120 WeakPolarHBondContact CG-OH 2.98Å; Y77-Y120 HydrophobicContact CD2-CD2 4.45Å; Y77-Y120 AromaticContact CD2-CE2 3.75Å; Y77-Y120 HydrophobicContact CD2-CE2 3.75Å; Y77-Y120 HydrophobicContact CE2-CD2 4.3Å; Y77-Y120 AromaticContact CE2-CE2 3.7Å; Y77-Y120 HydrophobicContact CE2-CE2 3.7Å; T116-Y120 HydrophobicContact CG2-CD2 3.74Å; T116-Y120 HydrophobicContact CG2-CE2 4.41Å; T116-Y120 HydrophobicContact CG2-CG 4.43Å; T116-Y120 WeakPolarHBondContact O-CB 3.1Å; T116-Y120 PolarHBondContact O-N 2.67Å; Y120-T124 HydrophobicContact CD1-CG2 4.08Å; Y120-E126 HydrophobicContact CD1-CB 3.97Å; Y120-E126 HydrophobicContact CD1-CG 4.08Å; Y120-E126 HydrophobicContact CD2-CB 3.9Å; Y120-E126 HydrophobicContact CD2-CG 4.45Å; Y120-E126 HydrophobicContact CE1-CB 4.13Å; Y120-E126 HydrophobicContact CE1-CG 3.76Å; Y120-E126 VanDerWaalsContact CE1-OE1 3.26Å; Y120-E126 WeakPolarHBondContact CE1-OE1 2.92Å; Y120-E126 HydrophobicContact CE2-CB 4.07Å; Y120-E126 HydrophobicContact CE2-CG 4.17Å; Y120-E126 HydrophobicContact CG-CB 3.84Å; Y120-E126 HydrophobicContact CG-CG 4.4Å; Y120-F127 VanDerWaalsContact O-CD2 3.3Å; Y120-F127 WeakPolarHBondContact O-CD2 3.26Å |
| 121 | P | 80.4 | Confident | 88.4 | Confident | 82 Ų | 82 | 43.7 Ų | 43.7 | 53% | 0.532 | 28% | 0.275 | S | S | . | . | trans | -63.3 | 160 | 172.1 | 25 | -32.9 | 0 | 0 | 0 | 111.1 | S123 T124 F127 | P121-S123 PolarHBondContact O-N 2.81Å; P121-T124 WeakPolarHBondContact CD-OG1 3.39Å; P121-T124 WeakPolarHBondContact CG-OG1 3.28Å; P121-T124 PolarHBondContact O-N 2.83Å; P121-T124 PolarHBondContact O-OG1 2.76Å; P121-F127 WeakPolarHBondContact O-CB 3.24Å | ||
| 122 | A | 83.6 | Confident | 88.3 | Confident | 76 Ų | 76 | 43.5 Ų | 43.5 | 63% | 0.628 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -10.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | F127 | A122-F127 HydrophobicContact CB-CD1 4.26Å; A122-F127 HydrophobicContact CB-CD2 4.41Å; A122-F127 HydrophobicContact CB-CE1 3.97Å; A122-F127 HydrophobicContact CB-CE2 4.11Å; A122-F127 HydrophobicContact CB-CG 4.5Å; A122-F127 HydrophobicContact CB-CZ 3.88Å |
| 123 | S | 76.5 | Confident | 88.3 | Confident | 111 Ų | 111 | 43.4 Ų | 43.4 | 78% | 0.776 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -3.3 | 175.5 | 56.6 | 0 | 0 | 0 | 0 | 114.9 | P121 | P121-S123 PolarHBondContact O-N 2.81Š|
| 124 | T | 84.4 | Confident | 88.3 | Confident | 40 Ų | 40 | 45.6 Ų | 45.6 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -98.6 | 144.4 | -174.9 | -6.1 | 0 | 0 | 0 | 0 | 111.8 | Y120 P121 E126 F127 A128 | Y120-T124 HydrophobicContact CD1-CG2 4.08Å; P121-T124 WeakPolarHBondContact CD-OG1 3.39Å; P121-T124 WeakPolarHBondContact CG-OG1 3.28Å; P121-T124 PolarHBondContact O-N 2.83Å; P121-T124 PolarHBondContact O-OG1 2.76Å; T124-E126 WeakPolarHBondContact CB-OE2 3.33Å; T124-E126 WeakPolarHBondContact CG2-OE2 3.14Å; T124-E126 PolarHBondContact O-N 3Å; T124-F127 WeakPolarHBondContact O-CB 3.32Å; T124-F127 PolarHBondContact O-N 3.12Å; T124-A128 PolarHBondContact O-N 3.44Å |
| 125 | T | 83.5 | Confident | 88.2 | Confident | 57 Ų | 57 | 48 Ų | 48 | 35% | 0.35 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.9 | -26.1 | -175 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | A128 K129 N278 | T125-A128 PolarHBondContact O-N 2.8Å; T125-K129 WeakPolarHBondContact O-CB 3.41Å; T125-K129 VanDerWaalsContact O-CG 3.3Å; T125-K129 WeakPolarHBondContact O-CG 3.29Å; T125-K129 PolarHBondContact O-N 3.23Å; T125-N278 HydrophobicContact CG2-CB 4.46Å |
| 126 | E | 86.6 | Confident | 88.3 | Confident | 53 Ų | 53 | 47.9 Ų | 47.9 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 170.2 | -59.2 | 91.2 | 155.6 | 0 | 0 | 111.9 | T116 Y120 T124 A130 | T116-E126 HydrophobicContact CG2-CB 3.81Å; T116-E126 VanDerWaalsContact CG2-O 3.27Å; T116-E126 WeakPolarHBondContact CG2-O 3.29Å; Y120-E126 HydrophobicContact CD1-CB 3.97Å; Y120-E126 HydrophobicContact CD1-CG 4.08Å; Y120-E126 HydrophobicContact CD2-CB 3.9Å; Y120-E126 HydrophobicContact CD2-CG 4.45Å; Y120-E126 HydrophobicContact CE1-CB 4.13Å; Y120-E126 HydrophobicContact CE1-CG 3.76Å; Y120-E126 VanDerWaalsContact CE1-OE1 3.26Å; Y120-E126 WeakPolarHBondContact CE1-OE1 2.92Å; Y120-E126 HydrophobicContact CE2-CB 4.07Å; Y120-E126 HydrophobicContact CE2-CG 4.17Å; Y120-E126 HydrophobicContact CG-CB 3.84Å; Y120-E126 HydrophobicContact CG-CG 4.4Å; T124-E126 WeakPolarHBondContact CB-OE2 3.33Å; T124-E126 WeakPolarHBondContact CG2-OE2 3.14Å; T124-E126 PolarHBondContact O-N 3Å; E126-A130 VanDerWaalsContact O-CB 3.25Å; E126-A130 WeakPolarHBondContact O-CB 3.44Å; E126-A130 PolarHBondContact O-N 3.26Å |
| 127 | F | 91.5 | Very high | 88.5 | Confident | 46 Ų | 46 | 47.8 Ų | 47.8 | 20% | 0.202 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 176.7 | -172.9 | -73.5 | 0 | 0 | 0 | 111.1 | K117 Y120 P121 A122 T124 A130 V131 | K117-F127 HydrophobicContact CB-CD2 4.08Å; K117-F127 HydrophobicContact CB-CE2 3.69Å; K117-F127 HydrophobicContact CB-CZ 4.32Å; K117-F127 HydrophobicContact CD-CZ 4.39Å; K117-F127 HydrophobicContact CG-CD2 3.88Å; K117-F127 HydrophobicContact CG-CE1 4.36Å; K117-F127 HydrophobicContact CG-CE2 3.6Å; K117-F127 HydrophobicContact CG-CG 4.4Å; K117-F127 HydrophobicContact CG-CZ 3.86Å; Y120-F127 VanDerWaalsContact O-CD2 3.3Å; Y120-F127 WeakPolarHBondContact O-CD2 3.26Å; P121-F127 WeakPolarHBondContact O-CB 3.24Å; A122-F127 HydrophobicContact CB-CD1 4.26Å; A122-F127 HydrophobicContact CB-CD2 4.41Å; A122-F127 HydrophobicContact CB-CE1 3.97Å; A122-F127 HydrophobicContact CB-CE2 4.11Å; A122-F127 HydrophobicContact CB-CG 4.5Å; A122-F127 HydrophobicContact CB-CZ 3.88Å; T124-F127 WeakPolarHBondContact O-CB 3.32Å; T124-F127 PolarHBondContact O-N 3.12Å; F127-A130 WeakPolarHBondContact O-CB 3.5Å; F127-A130 PolarHBondContact O-N 3.39Å; F127-V131 HydrophobicContact CD1-CG2 4.28Å; F127-V131 HydrophobicContact CE1-CG2 4.14Å; F127-V131 PolarHBondContact O-N 3.12Å; F127-V131 VanDerWaalsContact O-N 3.12Å |
| 128 | A | 88.9 | Confident | 88.6 | Confident | 50 Ų | 50 | 47 Ų | 47 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.4 | -51.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T124 T125 A130 V131 E132 | T124-A128 PolarHBondContact O-N 3.44Å; T125-A128 PolarHBondContact O-N 2.8Å; A128-A130 PolarHBondContact O-N 2.92Å; A128-V131 WeakPolarHBondContact O-CA 3.39Å; A128-V131 WeakPolarHBondContact O-CB 3.25Å; A128-V131 PolarHBondContact O-N 3.2Å; A128-E132 PolarHBondContact O-N 3.42Å |
| 129 | K | 91.2 | Very high | 88.9 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 9% | 0.087 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -23.9 | 177 | -69.1 | 172.9 | -179.4 | 174.6 | 0 | 113.2 | D58 L61 T64 F65 T125 L133 | D58-K129 WeakPolarHBondContact OD2-CE 3.3Å; D58-K129 IonicContact OD2-NZ 2.78Å; D58-K129 PolarHBondContact OD2-NZ 3.36Å; L61-K129 HydrophobicContact CD1-CB 3.91Å; L61-K129 HydrophobicContact CD1-CG 4.22Å; T64-K129 HydrophobicContact CG2-CD 4.13Å; F65-K129 HydrophobicContact CE2-CB 3.66Å; F65-K129 VanDerWaalsContact CE2-O 3.27Å; F65-K129 WeakPolarHBondContact CE2-O 3.42Å; F65-K129 VanDerWaalsContact CZ-C 3.46Å; F65-K129 HydrophobicContact CZ-CB 3.69Å; T125-K129 WeakPolarHBondContact O-CB 3.41Å; T125-K129 VanDerWaalsContact O-CG 3.3Å; T125-K129 WeakPolarHBondContact O-CG 3.29Å; T125-K129 PolarHBondContact O-N 3.23Å; K129-L133 VanDerWaalsContact O-CB 3.29Å; K129-L133 WeakPolarHBondContact O-CB 3.47Å; K129-L133 PolarHBondContact O-N 2.96Å |
| 130 | A | 91.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -76.4 | -26.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F65 V113 T116 E126 F127 A128 Q134 | F65-A130 HydrophobicContact CE1-CB 4.13Å; F65-A130 HydrophobicContact CZ-CB 3.89Å; V113-A130 HydrophobicContact CG1-CB 4.29Å; V113-A130 WeakPolarHBondContact CG1-O 3.21Å; V113-A130 WeakPolarHBondContact CG2-O 3.49Å; T116-A130 HydrophobicContact CG2-CB 3.77Å; E126-A130 VanDerWaalsContact O-CB 3.25Å; E126-A130 WeakPolarHBondContact O-CB 3.44Å; E126-A130 PolarHBondContact O-N 3.26Å; F127-A130 WeakPolarHBondContact O-CB 3.5Å; F127-A130 PolarHBondContact O-N 3.39Å; A128-A130 PolarHBondContact O-N 2.92Å; A130-Q134 PolarHBondContact O-N 3.34Å |
| 131 | V | 91.4 | Very high | 89.5 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 30% | 0.303 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.5 | -50.5 | 165.3 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | F127 A128 L133 Q134 D135 | F127-V131 HydrophobicContact CD1-CG2 4.28Å; F127-V131 HydrophobicContact CE1-CG2 4.14Å; F127-V131 PolarHBondContact O-N 3.12Å; F127-V131 VanDerWaalsContact O-N 3.12Å; A128-V131 WeakPolarHBondContact O-CA 3.39Å; A128-V131 WeakPolarHBondContact O-CB 3.25Å; A128-V131 PolarHBondContact O-N 3.2Å; V131-L133 VanDerWaalsContact C-N 3.31Å; V131-L133 PolarHBondContact O-N 3.12Å; V131-Q134 WeakPolarHBondContact O-CA 3.04Å; V131-Q134 VanDerWaalsContact O-CB 3.24Å; V131-Q134 WeakPolarHBondContact O-CB 3.41Å; V131-Q134 PolarHBondContact O-N 3.3Å; V131-D135 PolarHBondContact O-N 3.47Å |
| 132 | E | 92 | Very high | 89.9 | Confident | 39 Ų | 39 | 53.1 Ų | 53.1 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.4 | -42.5 | 178 | -167.8 | -166.7 | 159.1 | 0 | 0 | 112.4 | L61 A128 Q134 D135 V136 | L61-E132 HydrophobicContact CD1-CB 4.19Å; L61-E132 HydrophobicContact CD1-CG 4.16Å; L61-E132 WeakPolarHBondContact CD1-OE2 3.18Å; L61-E132 HydrophobicContact CD2-CB 4.37Å; L61-E132 HydrophobicContact CD2-CG 3.85Å; A128-E132 PolarHBondContact O-N 3.42Å; E132-Q134 VanDerWaalsContact C-N 3.27Å; E132-Q134 PolarHBondContact O-N 2.96Å; E132-D135 PolarHBondContact O-N 3.3Å; E132-V136 HydrophobicContact CG-CG2 4.44Å; E132-V136 WeakPolarHBondContact O-CB 3.37Å; E132-V136 VanDerWaalsContact O-CG2 3.26Å; E132-V136 WeakPolarHBondContact O-CG2 3.46Å; E132-V136 PolarHBondContact O-N 3.48Å |
| 133 | L | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -34.7 | 174.8 | -175.3 | 71.9 | 0 | 0 | 0 | 112.4 | I51 L61 F65 L87 V109 I112 V113 K129 V131 F137 | I51-L133 HydrophobicContact CG2-CD1 3.75Å; L61-L133 HydrophobicContact CD2-CD1 4.48Å; F65-L133 HydrophobicContact CB-CD2 4.24Å; F65-L133 HydrophobicContact CD2-CB 4.28Å; F65-L133 HydrophobicContact CD2-CD1 4.36Å; F65-L133 HydrophobicContact CD2-CD2 3.73Å; F65-L133 HydrophobicContact CD2-CG 4.35Å; F65-L133 HydrophobicContact CE2-CB 4.13Å; F65-L133 HydrophobicContact CE2-CD2 4.24Å; F65-L133 HydrophobicContact CG-CD2 3.88Å; L87-L133 HydrophobicContact CD1-CD1 4.33Å; V109-L133 HydrophobicContact CG1-CD2 4.47Å; V109-L133 HydrophobicContact CG1-CG 4.49Å; I112-L133 HydrophobicContact CG2-CD2 3.99Å; V113-L133 HydrophobicContact CG2-CD2 4.39Å; K129-L133 VanDerWaalsContact O-CB 3.29Å; K129-L133 WeakPolarHBondContact O-CB 3.47Å; K129-L133 PolarHBondContact O-N 2.96Å; V131-L133 VanDerWaalsContact C-N 3.31Å; V131-L133 PolarHBondContact O-N 3.12Å; L133-F137 WeakPolarHBondContact O-CB 3.46Å; L133-F137 PolarHBondContact O-N 3.29Å |
| 134 | Q | 93 | Very high | 90.4 | Very high | 49 Ų | 49 | 46.7 Ų | 46.7 | 23% | 0.229 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.4 | -48.1 | 177.2 | -157.8 | 165.6 | 20.3 | 0 | 0 | 110.4 | N110 V113 A130 V131 E132 F137 D138 | N110-Q134 PolarHBondContact OD1-NE2 2.79Å; V113-Q134 HydrophobicContact CG1-CB 4.31Å; V113-Q134 HydrophobicContact CG2-CB 4.12Å; A130-Q134 PolarHBondContact O-N 3.34Å; V131-Q134 WeakPolarHBondContact O-CA 3.04Å; V131-Q134 VanDerWaalsContact O-CB 3.24Å; V131-Q134 WeakPolarHBondContact O-CB 3.41Å; V131-Q134 PolarHBondContact O-N 3.3Å; E132-Q134 VanDerWaalsContact C-N 3.27Å; E132-Q134 PolarHBondContact O-N 2.96Å; Q134-F137 PolarHBondContact O-N 2.75Å; Q134-D138 PolarHBondContact O-N 3.1Å |
| 135 | D | 91.7 | Very high | 90.3 | Very high | 103 Ų | 103 | 48.7 Ų | 48.7 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.6 | -42.7 | -179.3 | -63.7 | -32.6 | 0 | 0 | 0 | 112 | V131 E132 H139 | V131-D135 PolarHBondContact O-N 3.47Å; E132-D135 PolarHBondContact O-N 3.3Å; D135-H139 VanDerWaalsContact O-CB 3.22Å; D135-H139 WeakPolarHBondContact O-CB 3.35Å; D135-H139 PolarHBondContact O-N 3.06Å |
| 136 | V | 92.7 | Very high | 90 | Very high | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.5 | -40.2 | 175.2 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | Y54 L61 E132 E140 | Y54-V136 HydrophobicContact CD1-CG1 4.19Å; Y54-V136 HydrophobicContact CD1-CG2 4.06Å; Y54-V136 HydrophobicContact CD2-CG1 3.9Å; Y54-V136 HydrophobicContact CD2-CG2 4.38Å; Y54-V136 HydrophobicContact CE1-CG1 4.46Å; Y54-V136 HydrophobicContact CE1-CG2 3.56Å; Y54-V136 HydrophobicContact CE2-CG1 4.22Å; Y54-V136 HydrophobicContact CE2-CG2 3.94Å; Y54-V136 HydrophobicContact CG-CG1 3.9Å; Y54-V136 HydrophobicContact CG-CG2 4.45Å; L61-V136 HydrophobicContact CD2-CB 4.34Å; L61-V136 HydrophobicContact CD2-CG2 4.02Å; E132-V136 HydrophobicContact CG-CG2 4.44Å; E132-V136 WeakPolarHBondContact O-CB 3.37Å; E132-V136 VanDerWaalsContact O-CG2 3.26Å; E132-V136 WeakPolarHBondContact O-CG2 3.46Å; E132-V136 PolarHBondContact O-N 3.48Å; V136-E140 WeakPolarHBondContact O-CB 3.44Å; V136-E140 PolarHBondContact O-N 3.22Å |
| 137 | F | 94.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -51.8 | 175.9 | 175.7 | -87.6 | 0 | 0 | 0 | 111.4 | L47 I51 M105 A106 V109 L133 Q134 E140 R141 | L47-F137 HydrophobicContact CD2-CD2 4Å; L47-F137 HydrophobicContact CD2-CE2 4.01Å; I51-F137 HydrophobicContact CD1-CB 4.41Å; I51-F137 HydrophobicContact CD1-CD2 3.66Å; I51-F137 HydrophobicContact CD1-CE2 4.46Å; M105-F137 HydrophobicContact CE-CE2 4.14Å; A106-F137 VanDerWaalsContact CA-CZ 3.46Å; A106-F137 HydrophobicContact CB-CE1 3.56Å; A106-F137 HydrophobicContact CB-CZ 3.51Å; V109-F137 HydrophobicContact CB-CD2 4.04Å; V109-F137 HydrophobicContact CB-CE2 4.16Å; V109-F137 HydrophobicContact CB-CG 4.42Å; V109-F137 HydrophobicContact CG1-CB 4.11Å; V109-F137 HydrophobicContact CG1-CD2 3.83Å; V109-F137 HydrophobicContact CG1-CE2 4.46Å; V109-F137 HydrophobicContact CG1-CG 3.9Å; V109-F137 HydrophobicContact CG2-CD2 3.73Å; V109-F137 HydrophobicContact CG2-CE2 3.71Å; L133-F137 WeakPolarHBondContact O-CB 3.46Å; L133-F137 PolarHBondContact O-N 3.29Å; Q134-F137 PolarHBondContact O-N 2.75Å; F137-E140 PolarHBondContact O-N 3.14Å; F137-R141 HydrophobicContact CE1-CB 4.44Å; F137-R141 VanDerWaalsContact CE1-CD 3.41Å; F137-R141 WeakPolarHBondContact O-CB 3.28Å; F137-R141 PolarHBondContact O-N 3.19Å |
| 138 | D | 92.4 | Very high | 88.5 | Confident | 53 Ų | 53 | 46.1 Ų | 46.1 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -72.1 | -29.7 | -176.9 | -85.6 | -40.6 | 0 | 0 | 0 | 112.6 | Q134 R141 Q142 | Q134-D138 PolarHBondContact O-N 3.1Å; D138-R141 IonicContact OD1-CZ 3.54Å; D138-R141 IonicContact OD1-NH1 2.82Å; D138-R141 PolarHBondContact OD1-NH1 2.83Å; D138-Q142 WeakPolarHBondContact O-CB 3.43Å; D138-Q142 WeakPolarHBondContact O-CG 3.47Å; D138-Q142 PolarHBondContact O-N 3.46Å |
| 139 | H | 93.6 | Very high | 87.5 | Confident | 122 Ų | 122 | 47.2 Ų | 47.2 | 57% | 0.565 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63.7 | -53.4 | 170.1 | -173.4 | 82.7 | 0 | 0 | 0 | 111.8 | D135 R141 Q142 V143 | D135-H139 VanDerWaalsContact O-CB 3.22Å; D135-H139 WeakPolarHBondContact O-CB 3.35Å; D135-H139 PolarHBondContact O-N 3.06Å; H139-R141 VanDerWaalsContact C-N 3.3Å; H139-R141 PolarHBondContact O-N 3.41Å; H139-Q142 PolarHBondContact O-N 2.92Å; H139-Q142 VanDerWaalsContact O-N 3.15Å; H139-V143 WeakPolarHBondContact O-CG2 3.28Å; H139-V143 PolarHBondContact O-N 3.37Å |
| 140 | E | 93.6 | Very high | 85.7 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.3 | -31.4 | -179.8 | -77.1 | -71 | -169.7 | 0 | 0 | 112.6 | L47 R50 V136 F137 V143 L144 | L47-E140 HydrophobicContact CD2-CB 4.16Å; R50-E140 HydrophobicContact CB-CG 4.28Å; R50-E140 WeakPolarHBondContact CD-OE2 3.21Å; R50-E140 IonicContact CZ-OE2 2.81Å; R50-E140 IonicContact NE-OE2 3.96Å; R50-E140 IonicContact NH1-OE2 2.75Å; R50-E140 PolarHBondContact NH1-OE2 2.91Å; V136-E140 WeakPolarHBondContact O-CB 3.44Å; V136-E140 PolarHBondContact O-N 3.22Å; F137-E140 PolarHBondContact O-N 3.14Å; E140-V143 PolarHBondContact O-N 2.95Å; E140-L144 WeakPolarHBondContact O-CB 3.49Å; E140-L144 PolarHBondContact O-N 3.32Å |
| 141 | R | 92.3 | Very high | 83.3 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 21% | 0.211 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 170 | 178.7 | 169.9 | 164.7 | -105.6 | -2.1 | 111.7 | L47 V102 D103 F137 D138 H139 L144 Q145 | L47-R141 HydrophobicContact CD1-CB 4.22Å; L47-R141 HydrophobicContact CD2-CB 4.36Å; V102-R141 HydrophobicContact CG1-CG 4.18Å; D103-R141 IonicContact OD1-CZ 3.22Å; D103-R141 IonicContact OD1-NE 2.82Å; D103-R141 PolarHBondContact OD1-NE 2.95Å; D103-R141 IonicContact OD1-NH2 2.71Å; D103-R141 PolarHBondContact OD1-NH2 2.83Å; F137-R141 HydrophobicContact CE1-CB 4.44Å; F137-R141 VanDerWaalsContact CE1-CD 3.41Å; F137-R141 WeakPolarHBondContact O-CB 3.28Å; F137-R141 PolarHBondContact O-N 3.19Å; D138-R141 IonicContact OD1-CZ 3.54Å; D138-R141 IonicContact OD1-NH1 2.82Å; D138-R141 PolarHBondContact OD1-NH1 2.83Å; H139-R141 VanDerWaalsContact C-N 3.3Å; H139-R141 PolarHBondContact O-N 3.41Å; R141-L144 PolarHBondContact O-N 3.44Å; R141-Q145 VanDerWaalsContact O-CB 3.3Å; R141-Q145 WeakPolarHBondContact O-CB 3.27Å; R141-Q145 VanDerWaalsContact O-CG 3.3Å; R141-Q145 WeakPolarHBondContact O-CG 3.27Å; R141-Q145 PolarHBondContact O-N 3.29Å |
| 142 | Q | 89.4 | Confident | 80.7 | Confident | 135 Ų | 135 | 58.7 Ų | 58.7 | 63% | 0.631 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64 | -40.9 | 171.9 | -79.6 | -170.2 | 13.1 | 0 | 0 | 112.4 | D138 H139 L144 Q145 A146 | D138-Q142 WeakPolarHBondContact O-CB 3.43Å; D138-Q142 WeakPolarHBondContact O-CG 3.47Å; D138-Q142 PolarHBondContact O-N 3.46Å; H139-Q142 PolarHBondContact O-N 2.92Å; H139-Q142 VanDerWaalsContact O-N 3.15Å; Q142-L144 PolarHBondContact O-N 3Å; Q142-Q145 PolarHBondContact O-N 2.97Å; Q142-A146 WeakPolarHBondContact O-CB 3.36Å; Q142-A146 PolarHBondContact O-N 2.85Å |
| 143 | V | 86.5 | Confident | 77.8 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 29% | 0.291 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 111 | H139 E140 A146 I147 | H139-V143 WeakPolarHBondContact O-CG2 3.28Å; H139-V143 PolarHBondContact O-N 3.37Å; E140-V143 PolarHBondContact O-N 2.95Å; V143-A146 PolarHBondContact O-N 2.87Å; V143-I147 HydrophobicContact CG1-CD1 3.99Å; V143-I147 WeakPolarHBondContact O-CD1 3.42Å; V143-I147 VanDerWaalsContact O-CG1 3.26Å; V143-I147 WeakPolarHBondContact O-CG1 3.34Å; V143-I147 PolarHBondContact O-N 2.76Å |
| 144 | L | 83.9 | Confident | 74.8 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.4 | -38.8 | 177.8 | -80.1 | 161.8 | 0 | 0 | 0 | 112.9 | L35 L43 E46 L47 E140 R141 Q142 A146 I147 T148 | L35-L144 HydrophobicContact CD1-CD2 3.96Å; L35-L144 HydrophobicContact CD2-CD2 4.05Å; L35-L144 HydrophobicContact CG-CD2 4.41Å; L43-L144 HydrophobicContact CD2-CB 4.34Å; L43-L144 HydrophobicContact CD2-CD2 4.13Å; E46-L144 HydrophobicContact CG-CD1 4.22Å; E46-L144 HydrophobicContact CG-CD2 4.24Å; L47-L144 HydrophobicContact CB-CD1 4.32Å; L47-L144 HydrophobicContact CD1-CD1 4.18Å; L47-L144 HydrophobicContact CG-CD1 3.81Å; E140-L144 WeakPolarHBondContact O-CB 3.49Å; E140-L144 PolarHBondContact O-N 3.32Å; R141-L144 PolarHBondContact O-N 3.44Å; Q142-L144 PolarHBondContact O-N 3Å; L144-A146 VanDerWaalsContact C-N 3.33Å; L144-A146 PolarHBondContact O-N 3.05Å; L144-I147 PolarHBondContact O-N 3Å; L144-T148 PolarHBondContact O-N 3.13Å; L144-T148 PolarHBondContact O-OG1 2.68Å; L144-T148 VanDerWaalsContact O-OG1 3.07Å |
| 145 | Q | 81.9 | Confident | 71.6 | Confident | 82 Ų | 82 | 72.4 Ų | 72.4 | 38% | 0.383 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 170.6 | -76.5 | 179.9 | -15.7 | 0 | 0 | 111.8 | R141 Q142 I147 T148 T149 | R141-Q145 VanDerWaalsContact O-CB 3.3Å; R141-Q145 WeakPolarHBondContact O-CB 3.27Å; R141-Q145 VanDerWaalsContact O-CG 3.3Å; R141-Q145 WeakPolarHBondContact O-CG 3.27Å; R141-Q145 PolarHBondContact O-N 3.29Å; Q142-Q145 PolarHBondContact O-N 2.97Å; Q145-I147 VanDerWaalsContact C-N 3.3Å; Q145-I147 PolarHBondContact O-N 2.85Å; Q145-T148 PolarHBondContact O-N 3.05Å; Q145-T148 PolarHBondContact O-OG1 2.65Å; Q145-T149 WeakPolarHBondContact O-CB 3.36Å; Q145-T149 VanDerWaalsContact O-CG2 3.29Å; Q145-T149 WeakPolarHBondContact O-CG2 3.43Å; Q145-T149 PolarHBondContact O-N 3.11Å; Q145-T149 PolarHBondContact O-OG1 3.35Å |
| 146 | A | 77.6 | Confident | 68.5 | Low | 41 Ų | 41 | 74.2 Ų | 74.2 | 34% | 0.339 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -71.5 | -21.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q142 V143 L144 K150 | Q142-A146 WeakPolarHBondContact O-CB 3.36Å; Q142-A146 PolarHBondContact O-N 2.85Å; V143-A146 PolarHBondContact O-N 2.87Å; L144-A146 VanDerWaalsContact C-N 3.33Å; L144-A146 PolarHBondContact O-N 3.05Å; A146-K150 WeakPolarHBondContact O-CB 3.34Å; A146-K150 WeakPolarHBondContact O-CD 3.32Å; A146-K150 WeakPolarHBondContact O-CG 3.46Å |
| 147 | I | 76.8 | Confident | 65.2 | Low | 30 Ų | 30 | 79.1 Ų | 79.1 | 15% | 0.154 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -79.4 | -43.6 | 172.8 | -71.8 | 163.2 | 0 | 0 | 0 | 110.8 | L35 V143 L144 Q145 | L35-I147 HydrophobicContact CB-CG2 3.84Å; L35-I147 HydrophobicContact CD1-CD1 4.48Å; V143-I147 HydrophobicContact CG1-CD1 3.99Å; V143-I147 WeakPolarHBondContact O-CD1 3.42Å; V143-I147 VanDerWaalsContact O-CG1 3.26Å; V143-I147 WeakPolarHBondContact O-CG1 3.34Å; V143-I147 PolarHBondContact O-N 2.76Å; L144-I147 PolarHBondContact O-N 3Å; Q145-I147 VanDerWaalsContact C-N 3.3Å; Q145-I147 PolarHBondContact O-N 2.85Å |
| 148 | T | 70.6 | Confident | 61.9 | Low | 30 Ų | 30 | 83.8 Ų | 83.8 | 18% | 0.184 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -72.4 | -46.2 | 179.2 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | L35 L43 L144 Q145 K150 S151 T152 | L35-T148 WeakPolarHBondContact O-CG2 3.14Å; L43-T148 HydrophobicContact CD1-CG2 4.28Å; L43-T148 HydrophobicContact CD2-CG2 4.07Å; L144-T148 PolarHBondContact O-N 3.13Å; L144-T148 PolarHBondContact O-OG1 2.68Å; L144-T148 VanDerWaalsContact O-OG1 3.07Å; Q145-T148 PolarHBondContact O-N 3.05Å; Q145-T148 PolarHBondContact O-OG1 2.65Å; T148-K150 VanDerWaalsContact C-N 3.31Å; T148-K150 PolarHBondContact O-N 3.25Å; T148-S151 PolarHBondContact O-N 3.02Å; T148-T152 PolarHBondContact O-N 3.48Å |
| 149 | T | 67.8 | Low | 58.6 | Low | 73 Ų | 73 | 88.4 Ų | 88.4 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 178.8 | 52 | 0 | 0 | 0 | 0 | 113.2 | Q145 S151 T152 D153 | Q145-T149 WeakPolarHBondContact O-CB 3.36Å; Q145-T149 VanDerWaalsContact O-CG2 3.29Å; Q145-T149 WeakPolarHBondContact O-CG2 3.43Å; Q145-T149 PolarHBondContact O-N 3.11Å; Q145-T149 PolarHBondContact O-OG1 3.35Å; T149-S151 PolarHBondContact O-N 3.22Å; T149-S151 VanDerWaalsContact O-N 3.1Å; T149-T152 WeakPolarHBondContact CA-OG1 3.4Å; T149-T152 PolarHBondContact O-N 3.36Å; T149-T152 PolarHBondContact O-OG1 3.44Å; T149-D153 PolarHBondContact O-N 3.46Å |
| 150 | K | 52.1 | Low | 55.4 | Low | 165 Ų | 165 | 86.8 Ų | 86.8 | 72% | 0.717 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70 | -1 | 173.8 | -73.7 | -178.4 | 179.6 | 178.2 | 0 | 114.6 | A146 T148 | A146-K150 WeakPolarHBondContact O-CB 3.34Å; A146-K150 WeakPolarHBondContact O-CD 3.32Å; A146-K150 WeakPolarHBondContact O-CG 3.46Å; T148-K150 VanDerWaalsContact C-N 3.31Å; T148-K150 PolarHBondContact O-N 3.25Å |
| 151 | S | 42.2 | Very low | 52.3 | Low | 55 Ų | 55 | 90.4 Ų | 90.4 | 39% | 0.385 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -108.8 | -13.4 | 168 | -61.6 | 0 | 0 | 0 | 0 | 113.5 | A36 T148 T149 | A36-S151 VanDerWaalsContact CB-OG 3.27Å; A36-S151 WeakPolarHBondContact CB-OG 3.49Å; T148-S151 PolarHBondContact O-N 3.02Å; T149-S151 PolarHBondContact O-N 3.22Å; T149-S151 VanDerWaalsContact O-N 3.1Å |
| 152 | T | 35.3 | Very low | 49.1 | Very low | 91 Ų | 91 | 92.8 Ų | 92.8 | 56% | 0.558 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -81.2 | -22.3 | 173.7 | 50.7 | 0 | 0 | 0 | 0 | 113.3 | T148 T149 S154 | T148-T152 PolarHBondContact O-N 3.48Å; T149-T152 WeakPolarHBondContact CA-OG1 3.4Å; T149-T152 PolarHBondContact O-N 3.36Å; T149-T152 PolarHBondContact O-OG1 3.44Å; T152-S154 PolarHBondContact O-N 3.41Å |
| 153 | D | 31.8 | Very low | 46.1 | Very low | 142 Ų | 142 | 92.3 Ų | 92.3 | 76% | 0.759 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 28.9 | 173.4 | -72.6 | -19 | 0 | 0 | 0 | 113.7 | T149 | T149-D153 PolarHBondContact O-N 3.46Š|
| 154 | S | 30.7 | Very low | 43.3 | Very low | 103 Ų | 103 | 96.1 Ų | 96.1 | 72% | 0.72 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.8 | -11.2 | -177.5 | -71.4 | 0 | 0 | 0 | 0 | 116.2 | T152 | T152-S154 PolarHBondContact O-N 3.41Š|
| 155 | I | 26.5 | Very low | 40.7 | Very low | 132 Ų | 132 | 102.3 Ų | 102.3 | 68% | 0.677 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -140.6 | 141.3 | 174.1 | -50.1 | -179.9 | 0 | 0 | 0 | 108.1 | ||
| 156 | T | 25.1 | Very low | 38.3 | Very low | 140 Ų | 140 | 108.7 Ų | 108.7 | 86% | 0.859 | 64% | 0.642 | S | S | * | * | trans | 76.2 | 32.6 | -176.8 | 75 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 157 | S | 24.4 | Very low | 35.9 | Very low | 116 Ų | 116 | 117.4 Ų | 117.4 | 81% | 0.811 | 67% | 0.666 | S | S | * | * | trans | -91.4 | 136.1 | 145.7 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 158 | S | 24.9 | Very low | 33.9 | Very low | 99 Ų | 99 | 120.9 Ų | 120.9 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | trans | -42.7 | 140.8 | -170.5 | 48 | 0 | 0 | 0 | 0 | 118.1 | S160 | S158-S160 PolarHBondContact O-N 2.99Š| ||
| 159 | T | 24.3 | Very low | 32 | Very low | 151 Ų | 151 | 124.2 Ų | 124.2 | 93% | 0.926 | 72% | 0.72 | S | S | * | * | trans | -57.5 | 96.4 | 157.9 | 46 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 160 | S | 25.3 | Very low | 30.2 | Very low | 87 Ų | 87 | 130.8 Ų | 130.8 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | trans | -156.5 | 111.1 | 162.1 | 58 | 0 | 0 | 0 | 0 | 112 | S158 | S158-S160 PolarHBondContact O-N 2.99Š| ||
| 161 | S | 28.5 | Very low | 29.1 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | trans | 31.5 | 117.6 | 155 | 57.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 162 | S | 25.6 | Very low | 28.4 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | -61.2 | 148.5 | 168.9 | 58.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 163 | V | 25.8 | Very low | 27.9 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | 47.8 | 114 | 129.9 | 177.5 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 164 | T | 27.4 | Very low | 27.4 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | cis | -165.4 | 154.6 | 12.2 | 11.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 165 | D | 29.1 | Very low | 27.1 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | -139.4 | -177.4 | 149.4 | -146.3 | -23.8 | 0 | 0 | 0 | 111.7 | ||||
| 166 | R | 31.8 | Very low | 27 | Very low | 215 Ų | 215 | 142.5 Ų | 142.5 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | -101.5 | 120.5 | -141.2 | -70.9 | 154.9 | 177.6 | 145.2 | -8.6 | 117.1 | ||||
| 167 | R | 28.5 | Very low | 27 | Very low | 224 Ų | 224 | 144.3 Ų | 144.3 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | 37.5 | 96.5 | 108.2 | -171.8 | -164.9 | -162.3 | 178.7 | 8.6 | 117.5 | T169 | R167-T169 WeakPolarHBondContact CG-OG1 3.49Š| |||
| 168 | A | 34.1 | Very low | 27.1 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -142.7 | 131.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 169 | T | 31.2 | Very low | 27.3 | Very low | 99 Ų | 99 | 151.4 Ų | 151.4 | 61% | 0.607 | 76% | 0.757 | S | S | * | * | -147.2 | 138.1 | -118.2 | -73.8 | 0 | 0 | 0 | 0 | 116.9 | R167 | R167-T169 WeakPolarHBondContact CG-OG1 3.49Š| |||
| 170 | R | 29.7 | Very low | 27.5 | Very low | 211 Ų | 211 | 149.7 Ų | 149.7 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | trans | 12 | 137.2 | 151.4 | -59.1 | 175.2 | 173.8 | 174 | -4 | 120.2 | ||||
| 171 | R | 28.9 | Very low | 27.6 | Very low | 216 Ų | 216 | 154.3 Ų | 154.3 | 82% | 0.815 | 75% | 0.754 | S | S | * | * | -135.9 | 148.6 | 120.9 | -68.9 | -172.4 | 177.1 | -176.6 | 0.5 | 108.9 | |||||
| 172 | R | 28 | Very low | 27.8 | Very low | 187 Ų | 187 | 157.9 Ų | 157.9 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | cis | -153.1 | 146.1 | -21.6 | -102.5 | -177.1 | -176.3 | 166.4 | -2.1 | 105.5 | ||||
| 173 | L | 23.6 | Very low | 28.1 | Very low | 104 Ų | 104 | 162 Ų | 162 | 55% | 0.545 | 77% | 0.766 | S | S | . | * | 49.8 | 134.6 | 84.3 | -48.4 | -178.7 | 0 | 0 | 0 | 112 | |||||
| 174 | F | 23 | Very low | 28.5 | Very low | 176 Ų | 176 | 160.5 Ų | 160.5 | 77% | 0.772 | 77% | 0.766 | S | S | * | * | cis | -164.5 | -178.1 | 24.1 | -95.9 | -44 | 0 | 0 | 0 | 107 | ||||
| 175 | V | 23.9 | Very low | 28.6 | Very low | 104 Ų | 104 | 162.5 Ų | 162.5 | 63% | 0.63 | 77% | 0.766 | S | S | * | * | cis | 172.6 | 148.6 | -25.6 | 85.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 176 | N | 23.4 | Very low | 28.6 | Very low | 147 Ų | 147 | 161.5 Ų | 161.5 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | 58.4 | 163.3 | 158.2 | -63.9 | 5.4 | 0 | 0 | 0 | 123.5 | ||||
| 177 | E | 26.4 | Very low | 28.5 | Very low | 179 Ų | 179 | 157.7 Ų | 157.7 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -80.2 | 165.4 | 173.1 | -60.4 | 152.3 | 118.5 | 0 | 0 | 112.8 | ||||
| 178 | E | 25.4 | Very low | 28.4 | Very low | 167 Ų | 167 | 150.9 Ų | 150.9 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | trans | 44.2 | 126.2 | 171 | -48.9 | -164.8 | 153.1 | 0 | 0 | 118.2 | ||||
| 179 | R | 30.2 | Very low | 28.2 | Very low | 197 Ų | 197 | 152.9 Ų | 152.9 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | -173.7 | 161.8 | 70.5 | -103.4 | -161.9 | -177.8 | -159.1 | -4.1 | 116.5 | |||||
| 180 | D | 28 | Very low | 28 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | trans | 76.7 | 123.4 | 148.2 | -55.7 | -18.9 | 0 | 0 | 0 | 122.8 | ||||
| 181 | E | 27.9 | Very low | 27.9 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 86% | 0.855 | 72% | 0.723 | S | S | * | * | trans | 70.8 | 119.1 | 146.7 | -65.5 | 169.2 | -168.1 | 0 | 0 | 119.2 | ||||
| 182 | E | 32 | Very low | 27.9 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 91% | 0.907 | 72% | 0.72 | S | S | * | * | cis | -157 | -179.6 | 43.3 | -98.7 | -174.8 | 148.4 | 0 | 0 | 114 | ||||
| 183 | E | 31.2 | Very low | 28.2 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 90% | 0.902 | 73% | 0.726 | S | S | * | * | trans | -120.3 | 167.6 | -172.6 | -66.8 | -174.8 | 99.2 | 0 | 0 | 116.4 | ||||
| 184 | A | 34.6 | Very low | 29.3 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | 71.5 | 149.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 185 | E | 29.4 | Very low | 29.7 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | cis | -159.3 | 134 | -15.8 | -116.7 | -175 | 161.5 | 0 | 0 | 111.8 | ||||
| 186 | T | 30.5 | Very low | 29.9 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | trans | 70.6 | 146.7 | 157.9 | 71.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 187 | L | 29 | Very low | 30.2 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 70% | 0.702 | 73% | 0.726 | S | S | * | * | trans | 74.9 | 99.2 | 157.4 | -66.9 | 172.9 | 0 | 0 | 0 | 124.5 | T205 | L187-T205 CarbonylContact C-O 3.58Å; L187-T205 VanDerWaalsContact C-O 3.3Å; L187-T205 WeakPolarHBondContact O-CB 3.19Å; L187-T205 PolarHBondContact O-OG1 3.07Å | ||
| 188 | S | 26 | Very low | 30.2 | Very low | 82 Ų | 82 | 132.7 Ų | 132.7 | 57% | 0.573 | 71% | 0.71 | S | S | * | * | trans | 53 | 96.4 | 134.3 | 68.3 | 0 | 0 | 0 | 0 | 125.9 | T204 T205 | S188-T204 CarbonylContact C-O 3.07Å; S188-T205 CarbonylContact C-O 3.47Å; S188-T205 WeakPolarHBondContact CA-O 3.4Å; S188-T205 PolarHBondContact N-O 2.98Å | ||
| 189 | I | 31.3 | Very low | 30.5 | Very low | 145 Ų | 145 | 130 Ų | 130 | 74% | 0.744 | 71% | 0.707 | S | S | * | * | trans | 48.4 | 109.9 | 142.8 | -46.6 | 175.7 | 0 | 0 | 0 | 120.9 | T204 T205 | I189-T204 CarbonylContact C-O 3.44Å; I189-T204 PolarHBondContact N-O 2.97Å; I189-T205 VanDerWaalsContact N-C 3.27Å; I189-T205 PolarHBondContact N-O 3.19Å | ||
| 190 | A | 26.7 | Very low | 30.5 | Very low | 44 Ų | 44 | 125.1 Ų | 125.1 | 36% | 0.364 | 70% | 0.703 | S | S | . | * | 174 | 131.9 | 128.7 | 0 | 0 | 0 | 0 | 0 | 117 | S203 T204 | A190-S203 CarbonylContact O-C 3.59Å; A190-S203 WeakPolarHBondContact O-CA 3.36Å; A190-T204 VanDerWaalsContact N-C 3.31Å; A190-T204 PolarHBondContact N-O 3.2Å; A190-T204 VanDerWaalsContact O-CA 3.32Å; A190-T204 WeakPolarHBondContact O-CA 3.45Å; A190-T204 PolarHBondContact O-N 3.18Å | |||
| 191 | A | 27.2 | Very low | 30.5 | Very low | 78 Ų | 78 | 127.9 Ų | 127.9 | 65% | 0.645 | 71% | 0.712 | S | S | * | * | trans | 42.9 | 113.8 | 135.8 | 0 | 0 | 0 | 0 | 0 | 125.6 | S203 | A191-S203 PolarHBondContact O-N 3.07Š| ||
| 192 | S | 28.8 | Very low | 30.8 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | 64.3 | 122.6 | 114.3 | -109.5 | 0 | 0 | 0 | 0 | 126.2 | |||||
| 193 | D | 34.1 | Very low | 30.7 | Very low | 154 Ų | 154 | 118.4 Ų | 118.4 | 82% | 0.824 | 68% | 0.682 | S | S | * | * | 95.5 | 156.3 | 117.8 | -111.1 | -45.5 | 0 | 0 | 0 | 126.3 | |||||
| 194 | D | 46.5 | Very low | 30.8 | Very low | 105 Ų | 105 | 113 Ų | 113 | 56% | 0.561 | 66% | 0.663 | S | S | * | * | trans | 68.5 | 149.7 | 157 | -166 | 44.9 | 0 | 0 | 0 | 122.2 | R196 A198 | D194-R196 VanDerWaalsContact CG-N 3.28Å; D194-R196 PolarHBondContact OD1-N 2.96Å; D194-R196 PolarHBondContact OD2-N 3.36Å; D194-A198 PolarHBondContact OD2-N 3.27Å | ||
| 195 | S | 31.1 | Very low | 30.6 | Very low | 81 Ų | 81 | 111.1 Ų | 111.1 | 57% | 0.566 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -143.6 | 77.3 | 154.6 | 169.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 196 | R | 29.3 | Very low | 30.8 | Very low | 205 Ų | 205 | 108.1 Ų | 108.1 | 77% | 0.774 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 110.1 | 79.2 | 136.1 | -58.3 | 162.3 | -140.9 | -144.2 | -0.7 | 116.7 | D194 | D194-R196 VanDerWaalsContact CG-N 3.28Å; D194-R196 PolarHBondContact OD1-N 2.96Å; D194-R196 PolarHBondContact OD2-N 3.36Å |
| 197 | I | 27.8 | Very low | 30.8 | Very low | 165 Ų | 165 | 109.7 Ų | 109.7 | 85% | 0.846 | 64% | 0.635 | S | S | * | * | S | Bend | -136.5 | 84.8 | 80.7 | -61.5 | -173.6 | 0 | 0 | 0 | 105.9 | |||
| 198 | A | 27.9 | Very low | 30.9 | Very low | 59 Ų | 59 | 108.7 Ų | 108.7 | 49% | 0.488 | 63% | 0.634 | S | S | . | * | 46.2 | 135.2 | 86 | 0 | 0 | 0 | 0 | 0 | 115.5 | D194 | D194-A198 PolarHBondContact OD2-N 3.27Š| |||
| 199 | P | 31.3 | Very low | 31.1 | Very low | 111 Ų | 111 | 109.4 Ų | 109.4 | 72% | 0.721 | 64% | 0.639 | S | S | * | * | cis | -122.5 | 166 | 12.4 | 41 | -28.6 | 0 | 0 | 0 | 115.6 | ||||
| 200 | S | 29.1 | Very low | 31 | Very low | 94 Ų | 94 | 107.5 Ų | 107.5 | 66% | 0.657 | 64% | 0.639 | S | S | * | * | trans | 58.5 | 137.8 | 142.9 | 61.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 201 | E | 29.9 | Very low | 31.4 | Very low | 174 Ų | 174 | 113.4 Ų | 113.4 | 81% | 0.813 | 66% | 0.659 | S | S | * | * | cis | -169.9 | 152.7 | -2.1 | -118.5 | 160.5 | -143.4 | 0 | 0 | 110.5 | ||||
| 202 | V | 33.1 | Very low | 31.8 | Very low | 112 Ų | 112 | 115.8 Ų | 115.8 | 68% | 0.679 | 67% | 0.668 | S | S | * | * | trans | 66 | 110.8 | 154.8 | 174.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 203 | S | 30 | Very low | 31.7 | Very low | 65 Ų | 65 | 113.6 Ų | 113.6 | 46% | 0.455 | 66% | 0.663 | S | S | . | * | 69.4 | 145.5 | 63.4 | -55.1 | 0 | 0 | 0 | 0 | 114.6 | A190 A191 | A190-S203 CarbonylContact O-C 3.59Å; A190-S203 WeakPolarHBondContact O-CA 3.36Å; A191-S203 PolarHBondContact O-N 3.07Å | |||
| 204 | T | 32.8 | Very low | 31.5 | Very low | 80 Ų | 80 | 112.2 Ų | 112.2 | 49% | 0.491 | 67% | 0.665 | S | S | . | * | cis | -160.8 | 173 | 11.3 | -8.9 | 0 | 0 | 0 | 0 | 114.5 | S188 I189 A190 | S188-T204 CarbonylContact C-O 3.07Å; I189-T204 CarbonylContact C-O 3.44Å; I189-T204 PolarHBondContact N-O 2.97Å; A190-T204 VanDerWaalsContact N-C 3.31Å; A190-T204 PolarHBondContact N-O 3.2Å; A190-T204 VanDerWaalsContact O-CA 3.32Å; A190-T204 WeakPolarHBondContact O-CA 3.45Å; A190-T204 PolarHBondContact O-N 3.18Å | ||
| 205 | T | 31.7 | Very low | 30.8 | Very low | 54 Ų | 54 | 113.8 Ų | 113.8 | 33% | 0.331 | 68% | 0.679 | S | S | . | * | trans | 76.1 | 82.6 | 147.9 | 47 | 0 | 0 | 0 | 0 | 123.5 | L187 S188 I189 | L187-T205 CarbonylContact C-O 3.58Å; L187-T205 VanDerWaalsContact C-O 3.3Å; L187-T205 WeakPolarHBondContact O-CB 3.19Å; L187-T205 PolarHBondContact O-OG1 3.07Å; S188-T205 CarbonylContact C-O 3.47Å; S188-T205 WeakPolarHBondContact CA-O 3.4Å; S188-T205 PolarHBondContact N-O 2.98Å; I189-T205 VanDerWaalsContact N-C 3.27Å; I189-T205 PolarHBondContact N-O 3.19Å | ||
| 206 | N | 33.6 | Very low | 31 | Very low | 106 Ų | 106 | 118.4 Ų | 118.4 | 57% | 0.567 | 69% | 0.691 | S | S | * | * | 72.8 | 135.9 | 119.9 | -59 | -2.6 | 0 | 0 | 0 | 119.6 | |||||
| 207 | L | 29.7 | Very low | 31.5 | Very low | 148 Ų | 148 | 116.4 Ų | 116.4 | 78% | 0.775 | 70% | 0.695 | S | S | * | * | cis | 78.9 | 146.9 | 48.2 | -62.3 | 169.7 | 0 | 0 | 0 | 112.5 | ||||
| 208 | T | 31 | Very low | 32.8 | Very low | 112 Ų | 112 | 114.6 Ų | 114.6 | 69% | 0.687 | 69% | 0.687 | S | S | * | * | cis | -150.6 | 146.6 | 16.8 | -21 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 209 | S | 31.1 | Very low | 35.3 | Very low | 98 Ų | 98 | 114 Ų | 114 | 69% | 0.685 | 68% | 0.675 | S | S | * | * | trans | 45.8 | 152.7 | 135.2 | 63.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 210 | S | 27.9 | Very low | 37.8 | Very low | 105 Ų | 105 | 111.2 Ų | 111.2 | 73% | 0.734 | 66% | 0.657 | S | S | * | * | cis | -151.5 | 144.4 | 12 | -7.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 211 | Q | 34.8 | Very low | 40.8 | Very low | 168 Ų | 168 | 108.9 Ų | 108.9 | 79% | 0.785 | 63% | 0.634 | S | S | * | * | cis | 63.1 | 151.8 | 27.7 | -69.9 | -77.8 | -42.9 | 0 | 0 | 114.6 | ||||
| 212 | P | 35.7 | Very low | 43.8 | Very low | 127 Ų | 127 | 101.6 Ų | 101.6 | 83% | 0.825 | 60% | 0.601 | S | S | * | * | cis | -115 | -172.9 | 4.5 | 41.7 | -28.3 | 0 | 0 | 0 | 112.4 | ||||
| 213 | G | 27.3 | Very low | 46.4 | Very low | 63 Ų | 63 | 98.2 Ų | 98.2 | 65% | 0.649 | 58% | 0.578 | S | S | * | * | cis | 166.9 | 153.8 | -1.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 214 | S | 30 | Very low | 49.3 | Very low | 125 Ų | 125 | 95.1 Ų | 95.1 | 87% | 0.874 | 56% | 0.557 | S | S | * | * | cis | -157.9 | 163.3 | 33.7 | 54.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 215 | T | 31.6 | Very low | 52.3 | Low | 138 Ų | 138 | 91.3 Ų | 91.3 | 85% | 0.847 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -91.6 | 122.7 | -171 | 51.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 216 | Q | 35.4 | Very low | 55.1 | Low | 178 Ų | 178 | 88.8 Ų | 88.8 | 83% | 0.832 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 159.5 | 153 | -72.1 | -178.7 | -23.6 | 0 | 0 | 110.1 | ||
| 217 | L | 39.9 | Very low | 57.7 | Low | 162 Ų | 162 | 84.1 Ų | 84.1 | 85% | 0.848 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -80.1 | 153.9 | 179.1 | -81 | 84.9 | 0 | 0 | 0 | 111.9 | N219 | L217-N219 PolarHBondContact O-N 2.64Å; L217-N219 VanDerWaalsContact O-N 3.15Å |
| 218 | D | 55.3 | Low | 60.6 | Low | 128 Ų | 128 | 77.3 Ų | 77.3 | 68% | 0.684 | 46% | 0.458 | S | S | * | . | trans | -50.4 | 109.4 | -168.8 | -56 | -80 | 0 | 0 | 0 | 114.8 | L223 | D218-L223 HydrophobicContact CB-CD1 4.18Š| ||
| 219 | N | 80.1 | Confident | 63.5 | Low | 45 Ų | 45 | 72.2 Ų | 72.2 | 24% | 0.241 | 43% | 0.427 | C | S | . | . | trans | -76.7 | 119.6 | 172.4 | -179.6 | -12.6 | 0 | 0 | 0 | 110.3 | L217 Y221 E222 L223 | L217-N219 PolarHBondContact O-N 2.64Å; L217-N219 VanDerWaalsContact O-N 3.15Å; N219-Y221 PolarHBondContact O-N 3.07Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.39Å; N219-Y221 VanDerWaalsContact OD1-CD2 3.31Å; N219-Y221 WeakPolarHBondContact OD1-CD2 3.14Å; N219-Y221 PolarHBondContact OD1-N 2.94Å; N219-E222 HydrophobicContact CB-CB 4.35Å; N219-E222 HydrophobicContact CB-CG 3.87Å; N219-E222 PolarHBondContact O-N 2.84Å; N219-L223 PolarHBondContact O-N 3.23Å; N219-L223 VanDerWaalsContact O-N 3.09Å | ||
| 220 | P | 84.9 | Confident | 66.2 | Low | 53 Ų | 53 | 71.2 Ų | 71.2 | 34% | 0.344 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.9 | -25.6 | -176 | 26.5 | -35.4 | 0 | 0 | 0 | 113.6 | L223 L224 M280 | P220-L223 PolarHBondContact O-N 3.22Å; P220-L224 PolarHBondContact O-N 2.95Å; P220-M280 HydrophobicContact CB-CE 4.07Å |
| 221 | Y | 91.6 | Very high | 69 | Low | 45 Ų | 45 | 69.6 Ų | 69.6 | 18% | 0.176 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68 | -44.2 | 176.8 | -57.3 | -46 | 0 | 0 | 0 | 111.9 | N219 L223 L224 F225 Y277 N278 S279 M280 L283 | N219-Y221 PolarHBondContact O-N 3.07Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.39Å; N219-Y221 VanDerWaalsContact OD1-CD2 3.31Å; N219-Y221 WeakPolarHBondContact OD1-CD2 3.14Å; N219-Y221 PolarHBondContact OD1-N 2.94Å; Y221-L223 VanDerWaalsContact C-N 3.31Å; Y221-L224 PolarHBondContact O-N 2.81Å; Y221-F225 WeakPolarHBondContact O-CB 3.43Å; Y221-F225 PolarHBondContact O-N 2.71Å; Y221-Y277 WeakPolarHBondContact CE2-O 3.45Å; Y221-Y277 PolarHBondContact OH-O 2.86Å; Y221-N278 PolarHBondContact OH-O 3.35Å; Y221-S279 WeakPolarHBondContact OH-CA 3.24Å; Y221-S279 PolarHBondContact OH-N 2.71Å; Y221-M280 HydrophobicContact CD1-SD 3.84Å; Y221-M280 HydrophobicContact CE1-CB 4.48Å; Y221-M280 HydrophobicContact CE1-SD 4.18Å; Y221-L283 HydrophobicContact CD1-CD2 3.99Å; Y221-L283 HydrophobicContact CG-CD2 4.41Å |
| 222 | E | 91.9 | Very high | 71.3 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 10% | 0.103 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 174.2 | -56.4 | 178.2 | 175.6 | 0 | 0 | 110.7 | N219 L224 F225 A226 I272 P344 H345 V348 | N219-E222 HydrophobicContact CB-CB 4.35Å; N219-E222 HydrophobicContact CB-CG 3.87Å; N219-E222 PolarHBondContact O-N 2.84Å; E222-L224 PolarHBondContact O-N 2.81Å; E222-F225 PolarHBondContact O-N 2.82Å; E222-A226 VanDerWaalsContact O-CB 3.23Å; E222-A226 WeakPolarHBondContact O-CB 3.44Å; E222-A226 PolarHBondContact O-N 2.82Å; E222-I272 HydrophobicContact CG-CG2 3.77Å; E222-P344 HydrophobicContact CB-CB 3.79Å; E222-H345 IonicContact OE1-CE1 3.12Å; E222-H345 IonicContact OE1-CG 2.91Å; E222-H345 IonicContact OE1-ND1 2.75Å; E222-H345 PolarHBondContact OE1-ND1 2.87Å; E222-H345 VanDerWaalsContact OE2-CA 3.22Å; E222-H345 WeakPolarHBondContact OE2-CA 3.18Å; E222-H345 VanDerWaalsContact OE2-CB 3.26Å; E222-H345 WeakPolarHBondContact OE2-CB 3.39Å; E222-H345 IonicContact OE2-CG 2.81Å; E222-H345 PolarHBondContact OE2-N 3.37Å; E222-H345 IonicContact OE2-ND1 3.28Å; E222-H345 PolarHBondContact OE2-ND1 2.58Å; E222-V348 HydrophobicContact CB-CG2 4.01Å; E222-V348 HydrophobicContact CG-CG2 4.03Å |
| 223 | L | 88.7 | Confident | 73.2 | Confident | 41 Ų | 41 | 59.4 Ų | 59.4 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 178.2 | -132.2 | 164.5 | 0 | 0 | 0 | 111.8 | D218 N219 P220 Y221 S227 L340 P344 | D218-L223 HydrophobicContact CB-CD1 4.18Å; N219-L223 PolarHBondContact O-N 3.23Å; N219-L223 VanDerWaalsContact O-N 3.09Å; P220-L223 PolarHBondContact O-N 3.22Å; Y221-L223 VanDerWaalsContact C-N 3.31Å; L223-S227 VanDerWaalsContact O-CB 3.22Å; L223-S227 WeakPolarHBondContact O-CB 3.24Å; L223-S227 PolarHBondContact O-N 2.95Å; L223-S227 PolarHBondContact O-OG 2.8Å; L223-L340 HydrophobicContact CD2-CD1 3.91Å; L223-L340 HydrophobicContact CG-CD1 4.48Å; L223-P344 HydrophobicContact CG-CG 4.38Å |
| 224 | L | 91 | Very high | 75.3 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.4 | -46.3 | 172.4 | -178.7 | 58 | 0 | 0 | 0 | 111.8 | P220 Y221 E222 S227 I228 M280 L283 L315 K318 R319 A322 | P220-L224 PolarHBondContact O-N 2.95Å; Y221-L224 PolarHBondContact O-N 2.81Å; E222-L224 PolarHBondContact O-N 2.81Å; L224-S227 WeakPolarHBondContact O-CB 3.49Å; L224-S227 PolarHBondContact O-N 2.86Å; L224-I228 HydrophobicContact CD1-CD1 3.78Å; L224-I228 HydrophobicContact CD1-CG1 4.37Å; L224-I228 HydrophobicContact CG-CD1 3.93Å; L224-I228 WeakPolarHBondContact O-CG1 3.49Å; L224-I228 PolarHBondContact O-N 3.37Å; L224-M280 HydrophobicContact CB-CE 4.15Å; L224-M280 HydrophobicContact CB-SD 4.15Å; L224-M280 HydrophobicContact CD2-CE 4.16Å; L224-M280 HydrophobicContact CD2-CG 4.08Å; L224-M280 HydrophobicContact CD2-SD 3.41Å; L224-M280 WeakPolarHBondContact CD2-SD 3.25Å; L224-M280 HydrophobicContact CG-SD 4.4Å; L224-L283 HydrophobicContact CB-CD2 4.3Å; L224-L283 HydrophobicContact CD2-CD2 4.03Å; L224-L283 HydrophobicContact CD2-CG 4.33Å; L224-L283 HydrophobicContact CG-CD2 4.43Å; L224-L315 HydrophobicContact CD2-CD1 4.42Å; L224-K318 HydrophobicContact CD1-CB 3.67Å; L224-R319 HydrophobicContact CD2-CB 4.47Å; L224-A322 HydrophobicContact CB-CB 4.06Å |
| 225 | F | 94.4 | Very high | 77.5 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.5 | -50.5 | -179.3 | 179.8 | -88.5 | 0 | 0 | 0 | 111.9 | Y221 E222 S227 I228 A229 L265 I268 A269 I272 F287 V347 V348 F351 | Y221-F225 WeakPolarHBondContact O-CB 3.43Å; Y221-F225 PolarHBondContact O-N 2.71Å; E222-F225 PolarHBondContact O-N 2.82Å; F225-S227 VanDerWaalsContact C-N 3.29Å; F225-S227 PolarHBondContact O-N 2.87Å; F225-I228 CarbonylContact O-C 3.6Å; F225-I228 PolarHBondContact O-N 3.23Å; F225-A229 HydrophobicContact CD1-CB 4.08Å; F225-A229 HydrophobicContact CE1-CB 3.72Å; F225-A229 HydrophobicContact CZ-CB 4.15Å; F225-A229 WeakPolarHBondContact O-CB 3.35Å; F225-A229 PolarHBondContact O-N 3.43Å; F225-L265 HydrophobicContact CE2-CD2 4.33Å; F225-I268 HydrophobicContact CD2-CG2 3.71Å; F225-I268 HydrophobicContact CE2-CB 4.2Å; F225-I268 HydrophobicContact CE2-CG2 3.85Å; F225-A269 HydrophobicContact CE1-CB 4.2Å; F225-A269 HydrophobicContact CE2-CB 4.05Å; F225-A269 HydrophobicContact CZ-CB 3.66Å; F225-I272 HydrophobicContact CB-CD1 3.33Å; F225-I272 HydrophobicContact CD2-CD1 3.71Å; F225-I272 HydrophobicContact CG-CD1 3.64Å; F225-F287 HydrophobicContact CD2-CE2 4.41Å; F225-F287 AromaticContact CD2-CZ 3.67Å; F225-F287 HydrophobicContact CD2-CZ 3.67Å; F225-F287 HydrophobicContact CE2-CZ 4.32Å; F225-F287 HydrophobicContact CG-CZ 4.45Å; F225-V347 HydrophobicContact CD1-CG1 4.45Å; F225-V347 HydrophobicContact CE1-CG1 4.32Å; F225-V348 HydrophobicContact CB-CG2 4.03Å; F225-V348 HydrophobicContact CD1-CB 4.47Å; F225-V348 HydrophobicContact CD1-CG2 3.46Å; F225-V348 VanDerWaalsContact CD1-CG2 3.46Å; F225-V348 HydrophobicContact CE1-CG2 4.2Å; F225-V348 HydrophobicContact CG-CG2 3.92Å; F225-F351 HydrophobicContact CE1-CB 4.07Å; F225-F351 HydrophobicContact CE1-CD2 4.15Å; F225-F351 HydrophobicContact CE1-CG 4.06Å; F225-F351 HydrophobicContact CZ-CB 3.93Å; F225-F351 HydrophobicContact CZ-CD1 4.15Å; F225-F351 HydrophobicContact CZ-CD2 4.41Å; F225-F351 AromaticContact CZ-CG 3.91Å; F225-F351 HydrophobicContact CZ-CG 3.91Å |
| 226 | A | 91.3 | Very high | 79.6 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | E222 I228 A229 K230 Y342 P344 V347 | E222-A226 VanDerWaalsContact O-CB 3.23Å; E222-A226 WeakPolarHBondContact O-CB 3.44Å; E222-A226 PolarHBondContact O-N 2.82Å; A226-I228 PolarHBondContact O-N 2.89Å; A226-A229 PolarHBondContact O-N 3.12Å; A226-K230 WeakPolarHBondContact O-CB 3.48Å; A226-K230 PolarHBondContact O-N 2.92Å; A226-Y342 HydrophobicContact CB-CD2 3.89Å; A226-Y342 HydrophobicContact CB-CE2 3.6Å; A226-P344 HydrophobicContact CB-CB 4.19Å; A226-V347 HydrophobicContact CB-CB 3.88Å; A226-V347 HydrophobicContact CB-CG1 3.98Å; A226-V347 HydrophobicContact CB-CG2 4.24Å |
| 227 | S | 89.1 | Confident | 81.7 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.3 | -24.7 | 172.5 | -69.5 | 0 | 0 | 0 | 0 | 114.3 | L223 L224 F225 | L223-S227 VanDerWaalsContact O-CB 3.22Å; L223-S227 WeakPolarHBondContact O-CB 3.24Å; L223-S227 PolarHBondContact O-N 2.95Å; L223-S227 PolarHBondContact O-OG 2.8Å; L224-S227 WeakPolarHBondContact O-CB 3.49Å; L224-S227 PolarHBondContact O-N 2.86Å; F225-S227 VanDerWaalsContact C-N 3.29Å; F225-S227 PolarHBondContact O-N 2.87Å |
| 228 | I | 90.3 | Very high | 83.8 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -96.6 | -44 | 177.8 | -64.6 | 163.1 | 0 | 0 | 0 | 110.7 | L224 F225 A226 K230 Y231 F287 L311 L315 | L224-I228 HydrophobicContact CD1-CD1 3.78Å; L224-I228 HydrophobicContact CD1-CG1 4.37Å; L224-I228 HydrophobicContact CG-CD1 3.93Å; L224-I228 WeakPolarHBondContact O-CG1 3.49Å; L224-I228 PolarHBondContact O-N 3.37Å; F225-I228 CarbonylContact O-C 3.6Å; F225-I228 PolarHBondContact O-N 3.23Å; A226-I228 PolarHBondContact O-N 2.89Å; I228-K230 VanDerWaalsContact C-N 3.32Å; I228-K230 PolarHBondContact O-N 3.01Å; I228-Y231 VanDerWaalsContact O-CB 3.24Å; I228-Y231 WeakPolarHBondContact O-CB 3.2Å; I228-Y231 PolarHBondContact O-N 2.89Å; I228-F287 HydrophobicContact CB-CE1 4.19Å; I228-F287 HydrophobicContact CB-CZ 4.13Å; I228-F287 HydrophobicContact CD1-CD1 4.28Å; I228-F287 HydrophobicContact CD1-CD2 3.95Å; I228-F287 HydrophobicContact CD1-CE1 3.96Å; I228-F287 HydrophobicContact CD1-CE2 3.6Å; I228-F287 HydrophobicContact CD1-CG 4.28Å; I228-F287 HydrophobicContact CD1-CZ 3.61Å; I228-F287 HydrophobicContact CG1-CZ 4.48Å; I228-F287 HydrophobicContact CG2-CD1 4.3Å; I228-F287 HydrophobicContact CG2-CE1 3.69Å; I228-F287 HydrophobicContact CG2-CZ 4.15Å; I228-L311 HydrophobicContact CG2-CD1 4.32Å; I228-L311 HydrophobicContact CG2-CG 4.3Å; I228-L315 HydrophobicContact CD1-CD1 3.59Å |
| 229 | A | 90.5 | Very high | 85.2 | Confident | 6 Ų | 6 | 53 Ų | 53 | 5% | 0.05 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.9 | -32 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F225 A226 A240 V347 F351 | F225-A229 HydrophobicContact CD1-CB 4.08Å; F225-A229 HydrophobicContact CE1-CB 3.72Å; F225-A229 HydrophobicContact CZ-CB 4.15Å; F225-A229 WeakPolarHBondContact O-CB 3.35Å; F225-A229 PolarHBondContact O-N 3.43Å; A226-A229 PolarHBondContact O-N 3.12Å; A229-A240 VanDerWaalsContact O-CB 3.22Å; A229-A240 WeakPolarHBondContact O-CB 3.29Å; A229-V347 HydrophobicContact CB-CG1 4.01Å; A229-F351 HydrophobicContact CB-CE2 3.98Å; A229-F351 HydrophobicContact CB-CZ 4.14Å |
| 230 | K | 88.3 | Confident | 85.5 | Confident | 76 Ų | 76 | 51 Ų | 51 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 14.8 | 172.3 | -55.3 | -72.2 | -175.7 | -177.2 | 0 | 112.5 | A226 I228 Y342 V347 | A226-K230 WeakPolarHBondContact O-CB 3.48Å; A226-K230 PolarHBondContact O-N 2.92Å; I228-K230 VanDerWaalsContact C-N 3.32Å; I228-K230 PolarHBondContact O-N 3.01Å; K230-Y342 HydrophobicContact CB-CD1 3.96Å; K230-Y342 HydrophobicContact CB-CE1 3.48Å; K230-Y342 VanDerWaalsContact CB-CE1 3.48Å; K230-Y342 HydrophobicContact CB-CE2 4.24Å; K230-Y342 HydrophobicContact CD-CD1 4.43Å; K230-Y342 HydrophobicContact CG-CD1 3.76Å; K230-Y342 HydrophobicContact CG-CD2 4.03Å; K230-Y342 HydrophobicContact CG-CE1 3.79Å; K230-Y342 HydrophobicContact CG-CE2 4.06Å; K230-Y342 HydrophobicContact CG-CG 3.88Å; K230-V347 HydrophobicContact CD-CG1 4.47Å; K230-V347 HydrophobicContact CD-CG2 4.37Å; K230-V347 HydrophobicContact CG-CG1 4.16Å; K230-V347 HydrophobicContact CG-CG2 4.18Å |
| 231 | Y | 87.6 | Confident | 85.5 | Confident | 71 Ų | 71 | 52.8 Ų | 52.8 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | trans | -73.4 | 129.8 | 174.9 | -172.3 | -83.5 | 0 | 0 | 0 | 111.4 | I228 L239 I314 | I228-Y231 VanDerWaalsContact O-CB 3.24Å; I228-Y231 WeakPolarHBondContact O-CB 3.2Å; I228-Y231 PolarHBondContact O-N 2.89Å; Y231-L239 HydrophobicContact CD1-CD1 4.21Å; Y231-L239 HydrophobicContact CE1-CD1 4.47Å; Y231-L239 PolarHBondContact O-N 3.32Å; Y231-L239 VanDerWaalsContact O-N 3.12Å; Y231-I314 HydrophobicContact CD1-CD1 3.33Å; Y231-I314 HydrophobicContact CD1-CG1 4.26Å; Y231-I314 HydrophobicContact CD2-CD1 3.94Å; Y231-I314 HydrophobicContact CD2-CG1 4.09Å; Y231-I314 HydrophobicContact CD2-CG2 3.68Å; Y231-I314 HydrophobicContact CE1-CD1 3.3Å; Y231-I314 HydrophobicContact CE1-CG1 3.94Å; Y231-I314 HydrophobicContact CE2-CD1 3.91Å; Y231-I314 HydrophobicContact CE2-CG1 3.76Å; Y231-I314 HydrophobicContact CE2-CG2 3.93Å; Y231-I314 HydrophobicContact CG-CD1 3.66Å; Y231-I314 HydrophobicContact CG-CG1 4.33Å; Y231-I314 HydrophobicContact CG-CG2 4.24Å | ||
| 232 | V | 82.5 | Confident | 85.2 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 39% | 0.394 | 28% | 0.276 | S | S | . | . | B | Isolated β-bridge | trans | -115.3 | 130.5 | 177 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | D236 | V232-D236 VanDerWaalsContact CG1-CA 3.45Å; V232-D236 HydrophobicContact CG1-CB 4.49Å; V232-D236 WeakPolarHBondContact CG1-O 3.31Å |
| 233 | G | 75 | Confident | 85.2 | Confident | 17 Ų | 17 | 52.1 Ų | 52.1 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | trans | -78 | 177.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N235 D236 R237 | G233-N235 PolarHBondContact O-N 3.33Å; G233-D236 PolarHBondContact O-N 3.45Å; G233-D236 VanDerWaalsContact O-N 3.1Å; G233-R237 PolarHBondContact N-O 2.89Å | ||
| 234 | E | 71.8 | Confident | 85.3 | Confident | 189 Ų | 189 | 50.9 Ų | 50.9 | 88% | 0.883 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -5.7 | -175.5 | -62.3 | 169.7 | 151.7 | 0 | 0 | 115.3 | ||
| 235 | N | 76.4 | Confident | 85.3 | Confident | 143 Ų | 143 | 53.4 Ų | 53.4 | 77% | 0.765 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | 25.1 | -178.4 | -57 | -14.9 | 0 | 0 | 0 | 112.5 | G233 R237 | G233-N235 PolarHBondContact O-N 3.33Å; N235-R237 PolarHBondContact O-N 3.37Å |
| 236 | D | 76.3 | Confident | 85.1 | Confident | 149 Ų | 149 | 55.6 Ų | 55.6 | 80% | 0.797 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 55 | 13.9 | -172.8 | -70.8 | -43.2 | 0 | 0 | 0 | 115.9 | V232 G233 | V232-D236 VanDerWaalsContact CG1-CA 3.45Å; V232-D236 HydrophobicContact CG1-CB 4.49Å; V232-D236 WeakPolarHBondContact CG1-O 3.31Å; G233-D236 PolarHBondContact O-N 3.45Å; G233-D236 VanDerWaalsContact O-N 3.1Å |
| 237 | R | 79.3 | Confident | 84.7 | Confident | 109 Ų | 109 | 57.6 Ų | 57.6 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | trans | -85.8 | 120.7 | 176.7 | 173.7 | 179.8 | 162.4 | 107.4 | 0.7 | 110.7 | G233 N235 T242 D307 | G233-R237 PolarHBondContact N-O 2.89Å; N235-R237 PolarHBondContact O-N 3.37Å; R237-T242 PolarHBondContact NH2-OG1 2.92Å; R237-D307 IonicContact CZ-OD2 2.84Å; R237-D307 IonicContact NE-OD1 3.51Å; R237-D307 IonicContact NE-OD2 3.58Å; R237-D307 IonicContact NH2-OD1 2.73Å; R237-D307 IonicContact NH2-OD2 3.68Å; R237-D307 PolarHBondContact NH2-OD2 2.93Å | ||
| 238 | P | 83.6 | Confident | 84.5 | Confident | 60 Ų | 60 | 59.1 Ų | 59.1 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -69.1 | 140.6 | 171.3 | 29.1 | -34.4 | 0 | 0 | 0 | 111.1 | P241 | P238-P241 HydrophobicContact CB-CG 4.48Å; P238-P241 HydrophobicContact CG-CG 4.12Å |
| 239 | L | 85.3 | Confident | 83.9 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -80.9 | -30.2 | -180 | -106.8 | 77.7 | 0 | 0 | 0 | 113.8 | Y231 F243 D307 T310 L311 I314 | Y231-L239 HydrophobicContact CD1-CD1 4.21Å; Y231-L239 HydrophobicContact CE1-CD1 4.47Å; Y231-L239 PolarHBondContact O-N 3.32Å; Y231-L239 VanDerWaalsContact O-N 3.12Å; L239-F243 WeakPolarHBondContact O-CD2 3.47Å; L239-D307 WeakPolarHBondContact CD2-O 3.45Å; L239-D307 HydrophobicContact CG-CB 4.31Å; L239-T310 HydrophobicContact CD1-CG2 4.45Å; L239-T310 HydrophobicContact CD2-CG2 4.09Å; L239-L311 HydrophobicContact CD2-CB 4.07Å; L239-I314 HydrophobicContact CD2-CD1 4Å |
| 240 | A | 85.9 | Confident | 83 | Confident | 4 Ų | 4 | 75.7 Ų | 75.7 | 3% | 0.033 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -62.5 | -40.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | A229 T242 F243 T244 L265 F351 | A229-A240 VanDerWaalsContact O-CB 3.22Å; A229-A240 WeakPolarHBondContact O-CB 3.29Å; A240-T242 PolarHBondContact O-N 3.44Å; A240-T242 VanDerWaalsContact O-N 3.1Å; A240-F243 CarbonylContact O-C 3.6Å; A240-F243 WeakPolarHBondContact O-CA 3.45Å; A240-F243 PolarHBondContact O-N 2.97Å; A240-T244 PolarHBondContact O-N 3.48Å; A240-T244 VanDerWaalsContact O-N 3.11Å; A240-T244 PolarHBondContact O-OG1 2.89Å; A240-L265 HydrophobicContact CB-CD1 3.71Å; A240-L265 WeakPolarHBondContact O-CD1 3.38Å; A240-F351 HydrophobicContact CB-CE1 4.31Å; A240-F351 HydrophobicContact CB-CZ 3.93Å |
| 241 | P | 85.8 | Confident | 82.1 | Confident | 89 Ų | 89 | 78.3 Ų | 78.3 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -57.8 | -28.9 | -176.5 | -28 | 37.1 | 0 | 0 | 0 | 114.7 | P238 F243 | P238-P241 HydrophobicContact CB-CG 4.48Å; P238-P241 HydrophobicContact CG-CG 4.12Å; P241-F243 PolarHBondContact O-N 3.18Å |
| 242 | T | 83.8 | Confident | 81.7 | Confident | 42 Ų | 42 | 81 Ų | 81 | 26% | 0.258 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -65.3 | -17.8 | 175.2 | -48.6 | 0 | 0 | 0 | 0 | 112.8 | R237 A240 I304 D307 | R237-T242 PolarHBondContact NH2-OG1 2.92Å; A240-T242 PolarHBondContact O-N 3.44Å; A240-T242 VanDerWaalsContact O-N 3.1Å; T242-I304 HydrophobicContact CG2-CB 4.19Å; T242-I304 HydrophobicContact CG2-CG1 3.79Å; T242-I304 HydrophobicContact CG2-CG2 3.97Å; T242-D307 PolarHBondContact OG1-OD2 2.89Å |
| 243 | F | 92.9 | Very high | 81.4 | Confident | 12 Ų | 12 | 81.2 Ų | 81.2 | 5% | 0.053 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | 4.6 | -170 | -56.6 | -59.3 | 0 | 0 | 0 | 114.5 | L239 A240 P241 H245 L265 L290 A294 I304 D307 A308 L311 | L239-F243 WeakPolarHBondContact O-CD2 3.47Å; A240-F243 CarbonylContact O-C 3.6Å; A240-F243 WeakPolarHBondContact O-CA 3.45Å; A240-F243 PolarHBondContact O-N 2.97Å; P241-F243 PolarHBondContact O-N 3.18Å; F243-H245 PolarHBondContact O-N 3.13Å; F243-L265 HydrophobicContact CB-CD1 3.84Å; F243-L265 HydrophobicContact CB-CG 3.89Å; F243-L265 WeakPolarHBondContact O-CG 3.12Å; F243-L265 PolarHBondContact O-N 3.32Å; F243-L290 HydrophobicContact CB-CD1 4.23Å; F243-L290 HydrophobicContact CB-CD2 4.11Å; F243-L290 HydrophobicContact CB-CG 4.47Å; F243-L290 HydrophobicContact CD1-CD1 4.45Å; F243-L290 HydrophobicContact CD1-CG 4.49Å; F243-L290 HydrophobicContact CG-CD2 4.38Å; F243-A294 HydrophobicContact CE1-CB 3.79Å; F243-I304 HydrophobicContact CE1-CG2 3.98Å; F243-I304 HydrophobicContact CZ-CG2 4.45Å; F243-D307 HydrophobicContact CE2-CB 3.76Å; F243-D307 HydrophobicContact CZ-CB 3.76Å; F243-A308 HydrophobicContact CE1-CB 4.42Å; F243-A308 HydrophobicContact CZ-CB 3.93Å; F243-L311 HydrophobicContact CD2-CD1 3.92Å; F243-L311 HydrophobicContact CE2-CD1 4.08Å |
| 244 | T | 91.4 | Very high | 81.5 | Confident | 14 Ų | 14 | 84.7 Ų | 84.7 | 9% | 0.086 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -60.2 | -42.2 | -178.1 | -54.4 | 0 | 0 | 0 | 0 | 113 | A240 R266 F351 M354 | A240-T244 PolarHBondContact O-N 3.48Å; A240-T244 VanDerWaalsContact O-N 3.11Å; A240-T244 PolarHBondContact O-OG1 2.89Å; T244-R266 WeakPolarHBondContact O-CB 3.47Å; T244-R266 PolarHBondContact O-N 3.01Å; T244-F351 HydrophobicContact CG2-CD1 4.11Å; T244-F351 HydrophobicContact CG2-CE1 3.97Å; T244-M354 HydrophobicContact CG2-CE 4.42Å; T244-M354 HydrophobicContact CG2-SD 3.49Å; T244-M354 WeakPolarHBondContact CG2-SD 3.33Å |
| 245 | H | 90.6 | Very high | 82.3 | Confident | 53 Ų | 53 | 76.5 Ų | 76.5 | 25% | 0.245 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -128.6 | 148.9 | -175.2 | -58.8 | -77.9 | 0 | 0 | 0 | 111.7 | F243 D264 A355 | F243-H245 PolarHBondContact O-N 3.13Å; H245-D264 VanDerWaalsContact CA-OD2 3.31Å; H245-D264 WeakPolarHBondContact CA-OD2 3.12Å; H245-A355 PolarHBondContact CE1-O 3.41Å |
| 246 | L | 90.4 | Very high | 82.9 | Confident | 46 Ų | 46 | 72.2 Ų | 72.2 | 24% | 0.241 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 145.5 | 168.6 | -74.6 | 175.2 | 0 | 0 | 0 | 112.5 | S248 Y255 P262 D264 M267 | L246-S248 PolarHBondContact O-N 3.35Å; L246-Y255 HydrophobicContact CD2-CE1 4.27Å; L246-P262 HydrophobicContact CD1-CB 3.97Å; L246-P262 HydrophobicContact CD2-CB 3.66Å; L246-P262 HydrophobicContact CG-CB 4.49Å; L246-D264 HydrophobicContact CD2-CB 4.3Å; L246-D264 HydrophobicContact CG-CB 4.03Å; L246-D264 PolarHBondContact N-OD2 2.78Å; L246-M267 HydrophobicContact CD1-SD 4.18Å |
| 247 | P | 82.6 | Confident | 83.2 | Confident | 43 Ų | 43 | 69.9 Ų | 69.9 | 28% | 0.279 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 136.2 | 173.7 | -22.7 | 33.6 | 0 | 0 | 0 | 111.6 | R249 Y252 Y255 Y256 | P247-R249 PolarHBondContact O-N 3.02Å; P247-Y252 HydrophobicContact CB-CD2 3.95Å; P247-Y252 HydrophobicContact CB-CG 4.26Å; P247-Y255 HydrophobicContact CB-CG 4.46Å; P247-Y255 HydrophobicContact CG-CD1 4.22Å; P247-Y255 HydrophobicContact CG-CD2 4.01Å; P247-Y255 HydrophobicContact CG-CE1 4.2Å; P247-Y255 HydrophobicContact CG-CE2 3.99Å; P247-Y255 HydrophobicContact CG-CG 4.14Å; P247-Y256 VanDerWaalsContact O-CE2 3.25Å; P247-Y256 WeakPolarHBondContact O-CE2 3.49Å; P247-Y256 PolarHBondContact O-OH 3Å |
| 248 | S | 83.6 | Confident | 83.4 | Confident | 40 Ų | 40 | 68 Ų | 68 | 28% | 0.28 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 131.7 | 179 | 163 | 0 | 0 | 0 | 0 | 111.8 | L246 E250 L251 Y252 | L246-S248 PolarHBondContact O-N 3.35Å; S248-E250 PolarHBondContact O-N 3Å; S248-E250 PolarHBondContact OG-N 3.07Å; S248-L251 PolarHBondContact O-N 2.67Å; S248-L251 PolarHBondContact OG-N 2.77Å; S248-Y252 PolarHBondContact O-N 3.08Å |
| 249 | R | 77.9 | Confident | 83.8 | Confident | 177 Ų | 177 | 65.4 Ų | 65.4 | 67% | 0.668 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -20 | -176.5 | -161.4 | 168.9 | -164.6 | -169.7 | 5 | 113.3 | P247 P253 Y256 | P247-R249 PolarHBondContact O-N 3.02Å; R249-P253 WeakPolarHBondContact O-CA 3.34Å; R249-P253 WeakPolarHBondContact O-CB 3.11Å; R249-Y256 HydrophobicContact CB-CD2 4.18Å; R249-Y256 HydrophobicContact CB-CE2 3.77Å; R249-Y256 HydrophobicContact CG-CD1 4.48Å; R249-Y256 HydrophobicContact CG-CD2 3.71Å; R249-Y256 HydrophobicContact CG-CE2 3.8Å; R249-Y256 HydrophobicContact CG-CG 4.07Å |
| 250 | E | 71.5 | Confident | 83.8 | Confident | 181 Ų | 181 | 72.8 Ų | 72.8 | 85% | 0.846 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -40.5 | 174.7 | -60 | -157.1 | 129.2 | 0 | 0 | 112.8 | S248 P253 | S248-E250 PolarHBondContact O-N 3Å; S248-E250 PolarHBondContact OG-N 3.07Å; E250-P253 WeakPolarHBondContact O-CD 3.49Å |
| 251 | L | 69.2 | Low | 84 | Confident | 131 Ų | 131 | 78.9 Ų | 78.9 | 69% | 0.686 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -35.1 | 177.9 | -67.4 | 174.1 | 0 | 0 | 0 | 112.2 | S248 | S248-L251 PolarHBondContact O-N 2.67Å; S248-L251 PolarHBondContact OG-N 2.77Å |
| 252 | Y | 79.3 | Confident | 84.3 | Confident | 128 Ų | 128 | 76.4 Ų | 76.4 | 50% | 0.502 | 38% | 0.383 | S | S | . | . | trans | -126.8 | 54.1 | -176.2 | -57.2 | -79.8 | 0 | 0 | 0 | 112.8 | P247 S248 V254 Y255 | P247-Y252 HydrophobicContact CB-CD2 3.95Å; P247-Y252 HydrophobicContact CB-CG 4.26Å; S248-Y252 PolarHBondContact O-N 3.08Å; Y252-V254 PolarHBondContact O-N 3.01Å; Y252-V254 VanDerWaalsContact O-N 3.09Å; Y252-Y255 WeakPolarHBondContact O-CB 3.44Å; Y252-Y255 PolarHBondContact O-N 2.78Å | ||
| 253 | P | 76.9 | Confident | 84.8 | Confident | 70 Ų | 70 | 74.6 Ų | 74.6 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29 | -179.4 | 24.6 | -34.5 | 0 | 0 | 0 | 112.4 | R249 E250 Y255 Y256 | R249-P253 WeakPolarHBondContact O-CA 3.34Å; R249-P253 WeakPolarHBondContact O-CB 3.11Å; E250-P253 WeakPolarHBondContact O-CD 3.49Å; P253-Y255 VanDerWaalsContact C-N 3.27Å; P253-Y255 PolarHBondContact O-N 3.22Å; P253-Y256 PolarHBondContact O-N 2.69Å |
| 254 | V | 76.8 | Confident | 84.9 | Confident | 90 Ų | 90 | 74.4 Ų | 74.4 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -30.5 | 175.8 | -171.3 | 0 | 0 | 0 | 0 | 112.2 | Y252 Y256 V257 V258 F297 | Y252-V254 PolarHBondContact O-N 3.01Å; Y252-V254 VanDerWaalsContact O-N 3.09Å; V254-Y256 VanDerWaalsContact C-N 3.3Å; V254-Y256 PolarHBondContact O-N 3.27Å; V254-V257 PolarHBondContact O-N 3.35Å; V254-V257 VanDerWaalsContact O-N 3.1Å; V254-V258 HydrophobicContact CG1-CG2 4.25Å; V254-V258 WeakPolarHBondContact O-CG2 3.43Å; V254-V258 PolarHBondContact O-N 3.25Å; V254-V258 VanDerWaalsContact O-N 3.12Å; V254-F297 HydrophobicContact CB-CE2 4.47Å; V254-F297 HydrophobicContact CG1-CE2 4.3Å |
| 255 | Y | 88.2 | Confident | 85.1 | Confident | 16 Ų | 16 | 73.8 Ų | 73.8 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.1 | -46.9 | 175.6 | -178.9 | -95.5 | 0 | 0 | 0 | 110.8 | L246 P247 Y252 P253 V257 V258 I259 P262 F297 | L246-Y255 HydrophobicContact CD2-CE1 4.27Å; P247-Y255 HydrophobicContact CB-CG 4.46Å; P247-Y255 HydrophobicContact CG-CD1 4.22Å; P247-Y255 HydrophobicContact CG-CD2 4.01Å; P247-Y255 HydrophobicContact CG-CE1 4.2Å; P247-Y255 HydrophobicContact CG-CE2 3.99Å; P247-Y255 HydrophobicContact CG-CG 4.14Å; Y252-Y255 WeakPolarHBondContact O-CB 3.44Å; Y252-Y255 PolarHBondContact O-N 2.78Å; P253-Y255 VanDerWaalsContact C-N 3.27Å; P253-Y255 PolarHBondContact O-N 3.22Å; Y255-V257 PolarHBondContact O-N 3.23Å; Y255-V258 PolarHBondContact O-N 3.26Å; Y255-I259 HydrophobicContact CD1-CB 4.47Å; Y255-I259 HydrophobicContact CD2-CG1 4.02Å; Y255-I259 HydrophobicContact CE1-CB 4.19Å; Y255-I259 HydrophobicContact CE1-CG1 4.32Å; Y255-I259 HydrophobicContact CE1-CG2 4.28Å; Y255-I259 HydrophobicContact CE2-CB 4.49Å; Y255-I259 HydrophobicContact CE2-CG1 3.73Å; Y255-I259 HydrophobicContact CG-CG1 4.43Å; Y255-I259 WeakPolarHBondContact O-CB 3.44Å; Y255-I259 PolarHBondContact O-N 2.65Å; Y255-P262 HydrophobicContact CE1-CB 4.11Å; Y255-F297 VanDerWaalsContact CA-CE2 3.44Å; Y255-F297 HydrophobicContact CD2-CB 4.07Å; Y255-F297 AromaticContact CD2-CD1 3.71Å; Y255-F297 HydrophobicContact CD2-CD1 3.71Å; Y255-F297 AromaticContact CD2-CD2 3.95Å; Y255-F297 HydrophobicContact CD2-CD2 3.95Å; Y255-F297 HydrophobicContact CD2-CE1 4.09Å; Y255-F297 HydrophobicContact CD2-CE2 4.33Å; Y255-F297 AromaticContact CD2-CG 3.62Å; Y255-F297 HydrophobicContact CD2-CG 3.62Å; Y255-F297 HydrophobicContact CD2-CZ 4.39Å; Y255-F297 HydrophobicContact CE2-CB 4.19Å; Y255-F297 HydrophobicContact CE2-CD1 4.41Å; Y255-F297 HydrophobicContact CE2-CG 4.24Å |
| 256 | Y | 89 | Confident | 85.2 | Confident | 53 Ų | 53 | 72 Ų | 72 | 21% | 0.208 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -76.9 | -5.3 | -179.4 | -61.5 | -92.4 | 0 | 0 | 0 | 114.3 | P247 R249 P253 V254 P262 | P247-Y256 VanDerWaalsContact O-CE2 3.25Å; P247-Y256 WeakPolarHBondContact O-CE2 3.49Å; P247-Y256 PolarHBondContact O-OH 3Å; R249-Y256 HydrophobicContact CB-CD2 4.18Å; R249-Y256 HydrophobicContact CB-CE2 3.77Å; R249-Y256 HydrophobicContact CG-CD1 4.48Å; R249-Y256 HydrophobicContact CG-CD2 3.71Å; R249-Y256 HydrophobicContact CG-CE2 3.8Å; R249-Y256 HydrophobicContact CG-CG 4.07Å; P253-Y256 PolarHBondContact O-N 2.69Å; V254-Y256 VanDerWaalsContact C-N 3.3Å; V254-Y256 PolarHBondContact O-N 3.27Å; Y256-P262 HydrophobicContact CD1-CG 4.36Å; Y256-P262 HydrophobicContact CE1-CB 4.32Å; Y256-P262 HydrophobicContact CE1-CG 4.27Å |
| 257 | V | 82.7 | Confident | 85.5 | Confident | 100 Ų | 100 | 72.5 Ų | 72.5 | 61% | 0.606 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -88.8 | -42.4 | 170.3 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | V254 Y255 K260 | V254-V257 PolarHBondContact O-N 3.35Å; V254-V257 VanDerWaalsContact O-N 3.1Å; Y255-V257 PolarHBondContact O-N 3.23Å; V257-K260 PolarHBondContact O-NZ 2.78Å |
| 258 | V | 84.3 | Confident | 86 | Confident | 70 Ų | 70 | 70.4 Ų | 70.4 | 42% | 0.424 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -78.9 | -50.3 | -178.8 | 178 | 0 | 0 | 0 | 0 | 111.6 | V254 Y255 T296 F297 | V254-V258 HydrophobicContact CG1-CG2 4.25Å; V254-V258 WeakPolarHBondContact O-CG2 3.43Å; V254-V258 PolarHBondContact O-N 3.25Å; V254-V258 VanDerWaalsContact O-N 3.12Å; Y255-V258 PolarHBondContact O-N 3.26Å; V258-T296 HydrophobicContact CG1-CG2 4.34Å; V258-F297 HydrophobicContact CB-CD2 4.19Å; V258-F297 HydrophobicContact CG1-CD2 4.36Å; V258-F297 HydrophobicContact CG2-CD2 4.44Å; V258-F297 HydrophobicContact CG2-CE2 4.49Å |
| 259 | I | 91.4 | Very high | 86.6 | Confident | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | trans | -88.2 | 115.4 | 179.7 | -56.5 | -52.6 | 0 | 0 | 0 | 109.2 | Y255 P262 N293 T296 F297 | Y255-I259 HydrophobicContact CD1-CB 4.47Å; Y255-I259 HydrophobicContact CD2-CG1 4.02Å; Y255-I259 HydrophobicContact CE1-CB 4.19Å; Y255-I259 HydrophobicContact CE1-CG1 4.32Å; Y255-I259 HydrophobicContact CE1-CG2 4.28Å; Y255-I259 HydrophobicContact CE2-CB 4.49Å; Y255-I259 HydrophobicContact CE2-CG1 3.73Å; Y255-I259 HydrophobicContact CG-CG1 4.43Å; Y255-I259 WeakPolarHBondContact O-CB 3.44Å; Y255-I259 PolarHBondContact O-N 2.65Å; I259-P262 HydrophobicContact CG2-CB 4.45Å; I259-N293 HydrophobicContact CD1-CB 4.15Å; I259-N293 HydrophobicContact CG1-CB 4.45Å; I259-N293 HydrophobicContact CG2-CB 4.05Å; I259-N293 VanDerWaalsContact CG2-CG 3.49Å; I259-N293 WeakPolarHBondContact CG2-OD1 3.49Å; I259-T296 HydrophobicContact CD1-CG2 4.02Å; I259-F297 HydrophobicContact CD1-CB 4.34Å; I259-F297 HydrophobicContact CG1-CB 4.34Å | ||
| 260 | K | 85.2 | Confident | 87.3 | Confident | 165 Ų | 165 | 65.2 Ų | 65.2 | 72% | 0.717 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -81.5 | -33.1 | 179.6 | -61 | -52.5 | -174.4 | -160.4 | 0 | 113.5 | V257 P262 | V257-K260 PolarHBondContact O-NZ 2.78Å; K260-P262 VanDerWaalsContact C-CD 3.46Å; K260-P262 VanDerWaalsContact O-CD 3.29Å; K260-P262 WeakPolarHBondContact O-CD 2.91Å |
| 261 | E | 90.4 | Very high | 88.4 | Confident | 131 Ų | 131 | 60.4 Ų | 60.4 | 61% | 0.612 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -122.9 | 73.9 | -173.8 | -66.3 | 176.5 | 170.1 | 0 | 0 | 109.4 | L289 N293 | E261-L289 HydrophobicContact CB-CD1 4.48Å; E261-L289 HydrophobicContact CB-CD2 4.18Å; E261-N293 PolarHBondContact O-ND2 3.47Å |
| 262 | P | 92.5 | Very high | 89.5 | Confident | 38 Ų | 38 | 54.6 Ų | 54.6 | 25% | 0.247 | 27% | 0.265 | C | S | . | . | trans | -66 | 136.6 | 178.6 | 28.6 | -35.4 | 0 | 0 | 0 | 111.3 | L246 Y255 Y256 I259 K260 | L246-P262 HydrophobicContact CD1-CB 3.97Å; L246-P262 HydrophobicContact CD2-CB 3.66Å; L246-P262 HydrophobicContact CG-CB 4.49Å; Y255-P262 HydrophobicContact CE1-CB 4.11Å; Y256-P262 HydrophobicContact CD1-CG 4.36Å; Y256-P262 HydrophobicContact CE1-CB 4.32Å; Y256-P262 HydrophobicContact CE1-CG 4.27Å; I259-P262 HydrophobicContact CG2-CB 4.45Å; K260-P262 VanDerWaalsContact C-CD 3.46Å; K260-P262 VanDerWaalsContact O-CD 3.29Å; K260-P262 WeakPolarHBondContact O-CD 2.91Å | ||
| 263 | I | 94 | Very high | 90 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | trans | -146.4 | 148.2 | 174.9 | -168.5 | 165.1 | 0 | 0 | 0 | 110.1 | M267 I268 D286 L289 L290 | I263-M267 HydrophobicContact CB-CE 4.47Å; I263-M267 HydrophobicContact CG1-CB 4.05Å; I263-M267 HydrophobicContact CG1-CE 4.19Å; I263-I268 HydrophobicContact CD1-CD1 4.32Å; I263-I268 HydrophobicContact CD1-CG1 3.83Å; I263-I268 HydrophobicContact CG1-CD1 4.46Å; I263-I268 HydrophobicContact CG1-CG1 4.11Å; I263-D286 HydrophobicContact CD1-CB 3.66Å; I263-D286 WeakPolarHBondContact CD1-OD1 3.48Å; I263-D286 WeakPolarHBondContact CD1-OD2 3.41Å; I263-L289 HydrophobicContact CG2-CB 4.3Å; I263-L289 HydrophobicContact CG2-CD2 4.08Å; I263-L289 HydrophobicContact CG2-CG 3.91Å; I263-L290 HydrophobicContact CG2-CB 4.07Å; I263-L290 HydrophobicContact CG2-CD1 4.4Å; I263-L290 VanDerWaalsContact O-CD1 3.25Å; I263-L290 WeakPolarHBondContact O-CD1 3.41Å | ||
| 264 | D | 95.1 | Very high | 90.5 | Very high | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | trans | -132.3 | 172.2 | 174.5 | 64.3 | 23.4 | 0 | 0 | 0 | 111.5 | H245 L246 R266 M267 I268 | H245-D264 VanDerWaalsContact CA-OD2 3.31Å; H245-D264 WeakPolarHBondContact CA-OD2 3.12Å; L246-D264 HydrophobicContact CD2-CB 4.3Å; L246-D264 HydrophobicContact CG-CB 4.03Å; L246-D264 PolarHBondContact N-OD2 2.78Å; D264-R266 VanDerWaalsContact C-N 3.28Å; D264-R266 PolarHBondContact O-N 3.15Å; D264-R266 PolarHBondContact OD1-N 3.07Å; D264-M267 PolarHBondContact O-N 3.47Å; D264-M267 WeakPolarHBondContact OD1-CB 3.41Å; D264-M267 WeakPolarHBondContact OD1-CG 3.42Å; D264-M267 PolarHBondContact OD1-N 2.62Å; D264-I268 PolarHBondContact O-N 3.5Å; D264-I268 VanDerWaalsContact O-N 3.11Å | ||
| 265 | L | 95.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.3 | -27.5 | 179.5 | -68.4 | 174.5 | 0 | 0 | 0 | 112.8 | F225 A240 F243 I268 A269 F287 L290 F351 | F225-L265 HydrophobicContact CE2-CD2 4.33Å; A240-L265 HydrophobicContact CB-CD1 3.71Å; A240-L265 WeakPolarHBondContact O-CD1 3.38Å; F243-L265 HydrophobicContact CB-CD1 3.84Å; F243-L265 HydrophobicContact CB-CG 3.89Å; F243-L265 WeakPolarHBondContact O-CG 3.12Å; F243-L265 PolarHBondContact O-N 3.32Å; L265-I268 HydrophobicContact CD2-CD1 4.32Å; L265-I268 PolarHBondContact O-N 2.91Å; L265-A269 WeakPolarHBondContact O-CB 3.44Å; L265-A269 PolarHBondContact O-N 3.49Å; L265-F287 HydrophobicContact CD2-CD1 4.18Å; L265-F287 HydrophobicContact CD2-CE1 3.53Å; L265-F287 HydrophobicContact CD2-CZ 4.47Å; L265-L290 HydrophobicContact CD2-CD2 3.62Å; L265-L290 HydrophobicContact CG-CD2 4.03Å; L265-F351 HydrophobicContact CB-CD1 4.16Å; L265-F351 HydrophobicContact CB-CE1 4.25Å; L265-F351 HydrophobicContact CD1-CE1 4.23Å |
| 266 | R | 94 | Very high | 90.7 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 6% | 0.057 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 174.3 | -178.5 | 174.3 | 72.8 | 131.3 | 17.9 | 111.7 | T244 D264 I268 A269 R270 F351 M354 A355 D356 | T244-R266 WeakPolarHBondContact O-CB 3.47Å; T244-R266 PolarHBondContact O-N 3.01Å; D264-R266 VanDerWaalsContact C-N 3.28Å; D264-R266 PolarHBondContact O-N 3.15Å; D264-R266 PolarHBondContact OD1-N 3.07Å; R266-I268 VanDerWaalsContact C-N 3.34Å; R266-A269 PolarHBondContact O-N 2.85Å; R266-R270 WeakPolarHBondContact O-CB 3.35Å; R266-R270 WeakPolarHBondContact O-CG 3.3Å; R266-R270 PolarHBondContact O-N 3.35Å; R266-F351 WeakPolarHBondContact CG-O 3.35Å; R266-M354 WeakPolarHBondContact CD-O 3.16Å; R266-M354 PolarHBondContact NH1-O 3.06Å; R266-A355 PolarHBondContact NH1-O 2.97Å; R266-D356 IonicContact CZ-OD1 2.72Å; R266-D356 IonicContact CZ-OD2 2.8Å; R266-D356 IonicContact NH1-OD1 3.63Å; R266-D356 IonicContact NH1-OD2 3.94Å; R266-D356 PolarHBondContact NH1-OD2 3.23Å; R266-D356 IonicContact NH2-OD1 2.72Å; R266-D356 PolarHBondContact NH2-OD1 3.18Å; R266-D356 IonicContact NH2-OD2 3.41Å; R266-D356 PolarHBondContact NH2-OD2 3.46Å |
| 267 | M | 94.8 | Very high | 90.6 | Very high | 56 Ų | 56 | 48.2 Ų | 48.2 | 28% | 0.276 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 171.6 | -77.6 | 177.5 | 60.5 | 0 | 0 | 111.2 | L246 I263 D264 R271 | L246-M267 HydrophobicContact CD1-SD 4.18Å; I263-M267 HydrophobicContact CB-CE 4.47Å; I263-M267 HydrophobicContact CG1-CB 4.05Å; I263-M267 HydrophobicContact CG1-CE 4.19Å; D264-M267 PolarHBondContact O-N 3.47Å; D264-M267 WeakPolarHBondContact OD1-CB 3.41Å; D264-M267 WeakPolarHBondContact OD1-CG 3.42Å; D264-M267 PolarHBondContact OD1-N 2.62Å; M267-R271 WeakPolarHBondContact O-CB 3.27Å; M267-R271 WeakPolarHBondContact O-CG 3.4Å; M267-R271 PolarHBondContact O-N 2.87Å |
| 268 | I | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.4 | -45.6 | 174.9 | -65.4 | 165.9 | 0 | 0 | 0 | 110.6 | F225 I263 D264 L265 R266 R271 I272 Y277 L283 D286 F287 L290 | F225-I268 HydrophobicContact CD2-CG2 3.71Å; F225-I268 HydrophobicContact CE2-CB 4.2Å; F225-I268 HydrophobicContact CE2-CG2 3.85Å; I263-I268 HydrophobicContact CD1-CD1 4.32Å; I263-I268 HydrophobicContact CD1-CG1 3.83Å; I263-I268 HydrophobicContact CG1-CD1 4.46Å; I263-I268 HydrophobicContact CG1-CG1 4.11Å; D264-I268 PolarHBondContact O-N 3.5Å; D264-I268 VanDerWaalsContact O-N 3.11Å; L265-I268 HydrophobicContact CD2-CD1 4.32Å; L265-I268 PolarHBondContact O-N 2.91Å; R266-I268 VanDerWaalsContact C-N 3.34Å; I268-R271 CarbonylContact O-C 3.54Å; I268-R271 WeakPolarHBondContact O-CA 3.29Å; I268-R271 WeakPolarHBondContact O-CB 3.45Å; I268-R271 PolarHBondContact O-N 3.4Å; I268-R271 VanDerWaalsContact O-N 3.11Å; I268-I272 HydrophobicContact CG2-CD1 4.43Å; I268-I272 PolarHBondContact O-N 3.26Å; I268-Y277 HydrophobicContact CG2-CE2 4.2Å; I268-L283 HydrophobicContact CG2-CD1 3.63Å; I268-D286 HydrophobicContact CD1-CB 4.3Å; I268-D286 HydrophobicContact CG1-CB 4.12Å; I268-F287 HydrophobicContact CD1-CD1 4.04Å; I268-F287 HydrophobicContact CD1-CE1 4.31Å; I268-F287 HydrophobicContact CD1-CG 4.38Å; I268-F287 HydrophobicContact CG2-CE2 4.21Å; I268-F287 HydrophobicContact CG2-CZ 4.14Å; I268-L290 HydrophobicContact CD1-CB 4.47Å; I268-L290 HydrophobicContact CD1-CD2 4.14Å |
| 269 | A | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -51.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F225 L265 R266 R271 I272 S273 F351 A352 | F225-A269 HydrophobicContact CE1-CB 4.2Å; F225-A269 HydrophobicContact CE2-CB 4.05Å; F225-A269 HydrophobicContact CZ-CB 3.66Å; L265-A269 WeakPolarHBondContact O-CB 3.44Å; L265-A269 PolarHBondContact O-N 3.49Å; R266-A269 PolarHBondContact O-N 2.85Å; A269-R271 VanDerWaalsContact C-N 3.25Å; A269-R271 PolarHBondContact O-N 3.05Å; A269-I272 CarbonylContact O-C 3.44Å; A269-I272 WeakPolarHBondContact O-CA 3.24Å; A269-I272 PolarHBondContact O-N 3.22Å; A269-S273 PolarHBondContact O-N 2.9Å; A269-S273 PolarHBondContact O-OG 3.29Å; A269-S273 VanDerWaalsContact O-OG 3.07Å; A269-F351 HydrophobicContact CB-CB 3.5Å; A269-F351 VanDerWaalsContact CB-CB 3.5Å; A269-A352 HydrophobicContact CB-CB 4.1Å |
| 270 | R | 93.8 | Very high | 90.4 | Very high | 107 Ų | 107 | 44.4 Ų | 44.4 | 40% | 0.404 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.7 | -32.4 | 174.4 | -75.3 | -176.5 | 175.4 | 178.6 | -1.2 | 112.7 | R266 S274 A352 | R266-R270 WeakPolarHBondContact O-CB 3.35Å; R266-R270 WeakPolarHBondContact O-CG 3.3Å; R266-R270 PolarHBondContact O-N 3.35Å; R270-S274 WeakPolarHBondContact O-CB 3.33Å; R270-S274 PolarHBondContact O-N 2.98Å; R270-S274 PolarHBondContact O-OG 3.37Å; R270-A352 HydrophobicContact CG-CB 3.81Å; R270-A352 PolarHBondContact NE-O 2.84Å; R270-A352 PolarHBondContact NH2-O 2.85Å |
| 271 | R | 93.7 | Very high | 90.6 | Very high | 80 Ų | 80 | 40.2 Ų | 40.2 | 30% | 0.302 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65 | -42.6 | 171.8 | -78.8 | 171.8 | -172 | -157.4 | 2 | 110.3 | M267 I268 A269 S274 G275 K276 Y277 D286 | M267-R271 WeakPolarHBondContact O-CB 3.27Å; M267-R271 WeakPolarHBondContact O-CG 3.4Å; M267-R271 PolarHBondContact O-N 2.87Å; I268-R271 CarbonylContact O-C 3.54Å; I268-R271 WeakPolarHBondContact O-CA 3.29Å; I268-R271 WeakPolarHBondContact O-CB 3.45Å; I268-R271 PolarHBondContact O-N 3.4Å; I268-R271 VanDerWaalsContact O-N 3.11Å; A269-R271 VanDerWaalsContact C-N 3.25Å; A269-R271 PolarHBondContact O-N 3.05Å; R271-S274 CarbonylContact O-C 3.57Å; R271-G275 CarbonylContact O-C 2.92Å; R271-G275 WeakPolarHBondContact O-CA 3.43Å; R271-G275 PolarHBondContact O-N 3.02Å; R271-K276 HydrophobicContact CB-CB 3.89Å; R271-K276 HydrophobicContact CG-CB 3.92Å; R271-K276 HydrophobicContact CG-CD 4.08Å; R271-K276 PolarHBondContact O-N 2.92Å; R271-Y277 HydrophobicContact CB-CD2 4.06Å; R271-Y277 HydrophobicContact CB-CE1 4.44Å; R271-Y277 HydrophobicContact CB-CE2 3.28Å; R271-Y277 WeakPolarHBondContact CD-OH 3.5Å; R271-Y277 HydrophobicContact CG-CE2 4.45Å; R271-D286 VanDerWaalsContact CD-OD2 3.31Å; R271-D286 WeakPolarHBondContact CD-OD2 3.44Å; R271-D286 IonicContact CZ-OD2 3.73Å; R271-D286 IonicContact NE-OD2 2.78Å; R271-D286 VanDerWaalsContact NH1-CG 3.27Å; R271-D286 IonicContact NH1-OD1 3.85Å; R271-D286 PolarHBondContact NH1-OD1 2.88Å; R271-D286 VanDerWaalsContact NH1-OD1 3.14Å; R271-D286 IonicContact NH1-OD2 2.65Å; R271-D286 PolarHBondContact NH1-OD2 3.31Å |
| 272 | I | 93.2 | Very high | 90.6 | Very high | 9 Ų | 9 | 35.9 Ų | 35.9 | 5% | 0.046 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.3 | -47.9 | 173.3 | -57.9 | 166.6 | 0 | 0 | 0 | 111.8 | E222 F225 I268 A269 S274 G275 Y277 L283 V348 | E222-I272 HydrophobicContact CG-CG2 3.77Å; F225-I272 HydrophobicContact CB-CD1 3.33Å; F225-I272 HydrophobicContact CD2-CD1 3.71Å; F225-I272 HydrophobicContact CG-CD1 3.64Å; I268-I272 HydrophobicContact CG2-CD1 4.43Å; I268-I272 PolarHBondContact O-N 3.26Å; A269-I272 CarbonylContact O-C 3.44Å; A269-I272 WeakPolarHBondContact O-CA 3.24Å; A269-I272 PolarHBondContact O-N 3.22Å; I272-S274 PolarHBondContact O-N 2.86Å; I272-G275 WeakPolarHBondContact O-CA 3.36Å; I272-G275 PolarHBondContact O-N 3.24Å; I272-Y277 HydrophobicContact CG1-CD2 3.65Å; I272-Y277 HydrophobicContact CG1-CE2 3.72Å; I272-L283 HydrophobicContact CD1-CD1 4.05Å; I272-L283 HydrophobicContact CD1-CD2 4.32Å; I272-L283 HydrophobicContact CG1-CD1 4.31Å; I272-V348 HydrophobicContact CB-CG1 3.98Å; I272-V348 HydrophobicContact CD1-CG2 4.2Å; I272-V348 HydrophobicContact CG2-CG1 3.95Å; I272-V348 HydrophobicContact CG2-CG2 4.23Å |
| 273 | S | 88.8 | Confident | 90.6 | Very high | 67 Ų | 67 | 34.1 Ų | 34.1 | 47% | 0.469 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.2 | -25 | 179.9 | -47.4 | 0 | 0 | 0 | 0 | 114.1 | A269 V348 A352 | A269-S273 PolarHBondContact O-N 2.9Å; A269-S273 PolarHBondContact O-OG 3.29Å; A269-S273 VanDerWaalsContact O-OG 3.07Å; S273-V348 VanDerWaalsContact OG-CG1 3.25Å; S273-V348 WeakPolarHBondContact OG-CG1 3.19Å; S273-A352 VanDerWaalsContact OG-CB 3.26Å; S273-A352 WeakPolarHBondContact OG-CB 3.32Å |
| 274 | S | 88.2 | Confident | 90.5 | Very high | 55 Ų | 55 | 35 Ų | 35 | 39% | 0.385 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 2.3 | 171.1 | 61 | 0 | 0 | 0 | 0 | 113.4 | E57 R270 R271 I272 | E57-S274 CarbonylContact C-O 3.42Å; E57-S274 VanDerWaalsContact CA-O 3.29Å; E57-S274 WeakPolarHBondContact CA-O 3.45Å; R270-S274 WeakPolarHBondContact O-CB 3.33Å; R270-S274 PolarHBondContact O-N 2.98Å; R270-S274 PolarHBondContact O-OG 3.37Å; R271-S274 CarbonylContact O-C 3.57Å; I272-S274 PolarHBondContact O-N 2.86Å |
| 275 | G | 85.8 | Confident | 90.4 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 6% | 0.062 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 3.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | E57 R271 I272 Y277 | E57-G275 WeakPolarHBondContact CB-O 3.43Å; E57-G275 VanDerWaalsContact CD-CA 3.4Å; E57-G275 VanDerWaalsContact CD-O 3.32Å; E57-G275 CarbonylContact O-C 3.58Å; E57-G275 VanDerWaalsContact O-C 3.28Å; E57-G275 WeakPolarHBondContact OE1-CA 3.33Å; R271-G275 CarbonylContact O-C 2.92Å; R271-G275 WeakPolarHBondContact O-CA 3.43Å; R271-G275 PolarHBondContact O-N 3.02Å; I272-G275 WeakPolarHBondContact O-CA 3.36Å; I272-G275 PolarHBondContact O-N 3.24Å; G275-Y277 PolarHBondContact O-N 2.64Å |
| 276 | K | 84.1 | Confident | 90.5 | Very high | 92 Ų | 92 | 42 Ų | 42 | 40% | 0.4 | 21% | 0.205 | S | C | . | . | trans | -64.1 | 28.9 | -168.1 | -67.5 | -178.2 | 175.2 | -175.2 | 0 | 118 | E57 R271 | E57-K276 WeakPolarHBondContact O-CA 3.46Å; E57-K276 WeakPolarHBondContact O-CG 3.4Å; E57-K276 PolarHBondContact O-N 3.35Å; R271-K276 HydrophobicContact CB-CB 3.89Å; R271-K276 HydrophobicContact CG-CB 3.92Å; R271-K276 HydrophobicContact CG-CD 4.08Å; R271-K276 PolarHBondContact O-N 2.92Å | ||
| 277 | Y | 85.6 | Confident | 90.5 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | trans | -134.3 | 91.1 | 178.1 | -64.8 | -58.3 | 0 | 0 | 0 | 110 | Y221 I268 R271 I272 G275 S279 E282 L283 D286 | Y221-Y277 WeakPolarHBondContact CE2-O 3.45Å; Y221-Y277 PolarHBondContact OH-O 2.86Å; I268-Y277 HydrophobicContact CG2-CE2 4.2Å; R271-Y277 HydrophobicContact CB-CD2 4.06Å; R271-Y277 HydrophobicContact CB-CE1 4.44Å; R271-Y277 HydrophobicContact CB-CE2 3.28Å; R271-Y277 WeakPolarHBondContact CD-OH 3.5Å; R271-Y277 HydrophobicContact CG-CE2 4.45Å; I272-Y277 HydrophobicContact CG1-CD2 3.65Å; I272-Y277 HydrophobicContact CG1-CE2 3.72Å; G275-Y277 PolarHBondContact O-N 2.64Å; Y277-S279 PolarHBondContact O-N 3.25Å; Y277-S279 VanDerWaalsContact O-N 3.13Å; Y277-E282 HydrophobicContact CD1-CB 3.73Å; Y277-L283 HydrophobicContact CD1-CB 4.06Å; Y277-L283 HydrophobicContact CD2-CB 4.3Å; Y277-L283 HydrophobicContact CD2-CD1 3.88Å; Y277-L283 HydrophobicContact CE1-CB 4.42Å; Y277-L283 HydrophobicContact CE1-CD1 4.39Å; Y277-L283 HydrophobicContact CE2-CD1 3.56Å; Y277-L283 HydrophobicContact CG-CB 3.99Å; Y277-L283 HydrophobicContact CG-CD1 4.39Å; Y277-D286 HydrophobicContact CE1-CB 4.1Å; Y277-D286 WeakPolarHBondContact CE1-OD2 3.28Å; Y277-D286 VanDerWaalsContact CZ-OD2 3.26Å; Y277-D286 WeakPolarHBondContact OH-CB 3.24Å; Y277-D286 PolarHBondContact OH-OD2 2.81Å | ||
| 278 | N | 80.9 | Confident | 90.4 | Very high | 44 Ų | 44 | 41.8 Ų | 41.8 | 24% | 0.235 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -66 | -14.8 | 177.9 | -49.1 | -99.6 | 0 | 0 | 0 | 112.5 | D58 T125 Y221 E282 | D58-N278 PolarHBondContact OD1-ND2 3.46Å; D58-N278 PolarHBondContact OD2-ND2 3.41Å; D58-N278 VanDerWaalsContact OD2-ND2 3.14Å; T125-N278 HydrophobicContact CG2-CB 4.46Å; Y221-N278 PolarHBondContact OH-O 3.35Å; N278-E282 WeakPolarHBondContact CB-OE2 3.28Å; N278-E282 PolarHBondContact N-OE2 3.34Å; N278-E282 PolarHBondContact ND2-OE2 3.24Å |
| 279 | S | 87.1 | Confident | 90.5 | Very high | 40 Ų | 40 | 43.5 Ų | 43.5 | 28% | 0.28 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -154.3 | 156.9 | -177.7 | 60.6 | 0 | 0 | 0 | 0 | 112.1 | Y221 Y277 D281 E282 L283 | Y221-S279 WeakPolarHBondContact OH-CA 3.24Å; Y221-S279 PolarHBondContact OH-N 2.71Å; Y277-S279 PolarHBondContact O-N 3.25Å; Y277-S279 VanDerWaalsContact O-N 3.13Å; S279-D281 PolarHBondContact O-N 2.88Å; S279-E282 PolarHBondContact O-N 3.27Å; S279-E282 PolarHBondContact OG-N 2.8Å; S279-L283 PolarHBondContact O-N 3.35Å |
| 280 | M | 87.4 | Confident | 90.5 | Very high | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.049 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -24.3 | 175.3 | -158.1 | 70.5 | 102.1 | 0 | 0 | 112.1 | P220 Y221 L224 E282 L283 E284 R319 A322 E323 | P220-M280 HydrophobicContact CB-CE 4.07Å; Y221-M280 HydrophobicContact CD1-SD 3.84Å; Y221-M280 HydrophobicContact CE1-CB 4.48Å; Y221-M280 HydrophobicContact CE1-SD 4.18Å; L224-M280 HydrophobicContact CB-CE 4.15Å; L224-M280 HydrophobicContact CB-SD 4.15Å; L224-M280 HydrophobicContact CD2-CE 4.16Å; L224-M280 HydrophobicContact CD2-CG 4.08Å; L224-M280 HydrophobicContact CD2-SD 3.41Å; L224-M280 WeakPolarHBondContact CD2-SD 3.25Å; L224-M280 HydrophobicContact CG-SD 4.4Å; M280-E282 VanDerWaalsContact C-N 3.32Å; M280-E282 PolarHBondContact O-N 2.95Å; M280-L283 HydrophobicContact SD-CD2 4.1Å; M280-E284 WeakPolarHBondContact O-CB 3.36Å; M280-E284 PolarHBondContact O-N 3.4Å; M280-R319 HydrophobicContact CG-CG 3.92Å; M280-A322 HydrophobicContact CE-CB 3.66Å; M280-E323 HydrophobicContact CB-CG 3.9Å; M280-E323 WeakPolarHBondContact CB-OE1 3.12Å; M280-E323 HydrophobicContact CE-CG 3.86Å; M280-E323 HydrophobicContact CG-CG 3.83Å |
| 281 | D | 88.7 | Confident | 90.5 | Very high | 77 Ų | 77 | 38.9 Ų | 38.9 | 41% | 0.412 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.4 | -24.7 | 171.6 | -77.1 | -76.7 | 0 | 0 | 0 | 114.4 | S279 R285 R319 | S279-D281 PolarHBondContact O-N 2.88Å; D281-R285 VanDerWaalsContact O-CB 3.3Å; D281-R285 WeakPolarHBondContact O-CB 3.29Å; D281-R285 WeakPolarHBondContact O-CG 3.49Å; D281-R285 PolarHBondContact O-N 3.01Å; D281-R285 VanDerWaalsContact O-N 3.08Å; D281-R285 PolarHBondContact O-NE 2.78Å; D281-R319 VanDerWaalsContact CG-NH2 3.29Å; D281-R319 IonicContact OD1-CZ 3.92Å; D281-R319 IonicContact OD1-NH1 3.79Å; D281-R319 PolarHBondContact OD1-NH1 3.16Å; D281-R319 IonicContact OD1-NH2 3.73Å; D281-R319 PolarHBondContact OD1-NH2 2.9Å; D281-R319 IonicContact OD2-CZ 3.61Å; D281-R319 IonicContact OD2-NH1 2.68Å; D281-R319 IonicContact OD2-NH2 3.56Å; D281-R319 PolarHBondContact OD2-NH2 3Å |
| 282 | E | 89.7 | Confident | 90.5 | Very high | 41 Ų | 41 | 43.4 Ų | 43.4 | 19% | 0.192 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -79.7 | -43.6 | 174.4 | -71.2 | -176.1 | 145 | 0 | 0 | 110.9 | Y277 N278 S279 M280 R285 D286 | Y277-E282 HydrophobicContact CD1-CB 3.73Å; N278-E282 WeakPolarHBondContact CB-OE2 3.28Å; N278-E282 PolarHBondContact N-OE2 3.34Å; N278-E282 PolarHBondContact ND2-OE2 3.24Å; S279-E282 PolarHBondContact O-N 3.27Å; S279-E282 PolarHBondContact OG-N 2.8Å; M280-E282 VanDerWaalsContact C-N 3.32Å; M280-E282 PolarHBondContact O-N 2.95Å; E282-R285 PolarHBondContact O-N 2.97Å; E282-R285 IonicContact OE1-NH1 3.39Å; E282-R285 IonicContact OE1-NH2 3.89Å; E282-D286 PolarHBondContact O-N 2.79Å; E282-D286 VanDerWaalsContact O-N 3.08Å |
| 283 | L | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -42.5 | 172.6 | -177.5 | 56.2 | 0 | 0 | 0 | 111.3 | Y221 L224 I268 I272 Y277 S279 M280 D286 F287 | Y221-L283 HydrophobicContact CD1-CD2 3.99Å; Y221-L283 HydrophobicContact CG-CD2 4.41Å; L224-L283 HydrophobicContact CB-CD2 4.3Å; L224-L283 HydrophobicContact CD2-CD2 4.03Å; L224-L283 HydrophobicContact CD2-CG 4.33Å; L224-L283 HydrophobicContact CG-CD2 4.43Å; I268-L283 HydrophobicContact CG2-CD1 3.63Å; I272-L283 HydrophobicContact CD1-CD1 4.05Å; I272-L283 HydrophobicContact CD1-CD2 4.32Å; I272-L283 HydrophobicContact CG1-CD1 4.31Å; Y277-L283 HydrophobicContact CD1-CB 4.06Å; Y277-L283 HydrophobicContact CD2-CB 4.3Å; Y277-L283 HydrophobicContact CD2-CD1 3.88Å; Y277-L283 HydrophobicContact CE1-CB 4.42Å; Y277-L283 HydrophobicContact CE1-CD1 4.39Å; Y277-L283 HydrophobicContact CE2-CD1 3.56Å; Y277-L283 HydrophobicContact CG-CB 3.99Å; Y277-L283 HydrophobicContact CG-CD1 4.39Å; S279-L283 PolarHBondContact O-N 3.35Å; M280-L283 HydrophobicContact SD-CD2 4.1Å; L283-D286 PolarHBondContact O-N 2.98Å; L283-F287 HydrophobicContact CD1-CD2 3.84Å; L283-F287 HydrophobicContact CD1-CE2 3.56Å; L283-F287 HydrophobicContact CD2-CE2 4.48Å; L283-F287 HydrophobicContact CG-CD2 3.99Å; L283-F287 HydrophobicContact CG-CE2 3.88Å; L283-F287 VanDerWaalsContact O-CD2 3.3Å; L283-F287 WeakPolarHBondContact O-CD2 3.38Å; L283-F287 PolarHBondContact O-N 2.86Å; L283-F287 VanDerWaalsContact O-N 3.1Å |
| 284 | E | 91.7 | Very high | 90.7 | Very high | 22 Ų | 22 | 40.7 Ų | 40.7 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 173.8 | -161.5 | -175.4 | 169 | 0 | 0 | 111.3 | M280 D286 F287 L288 L315 R319 | M280-E284 WeakPolarHBondContact O-CB 3.36Å; M280-E284 PolarHBondContact O-N 3.4Å; E284-D286 VanDerWaalsContact C-N 3.34Å; E284-D286 PolarHBondContact O-N 3.15Å; E284-F287 PolarHBondContact O-N 3.27Å; E284-L288 HydrophobicContact CG-CD1 3.92Å; E284-L288 HydrophobicContact CG-CG 4.17Å; E284-L288 VanDerWaalsContact O-CB 3.3Å; E284-L288 WeakPolarHBondContact O-CB 3.4Å; E284-L288 VanDerWaalsContact O-CG 3.23Å; E284-L288 WeakPolarHBondContact O-CG 3.27Å; E284-L288 PolarHBondContact O-N 3.31Å; E284-L315 HydrophobicContact CG-CD1 4.1Å; E284-L315 HydrophobicContact CG-CD2 3.55Å; E284-L315 HydrophobicContact CG-CG 3.72Å; E284-R319 WeakPolarHBondContact OE2-CD 3.45Å; E284-R319 IonicContact OE2-CZ 2.94Å; E284-R319 IonicContact OE2-NE 2.66Å; E284-R319 IonicContact OE2-NH1 3.45Å; E284-R319 PolarHBondContact OE2-NH1 2.88Å |
| 285 | R | 93.1 | Very high | 90.9 | Very high | 138 Ų | 138 | 40.6 Ų | 40.6 | 52% | 0.521 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.7 | -42.5 | 177.1 | -97.5 | 177.8 | -77.4 | 140.7 | -12.9 | 112.9 | D281 E282 L288 L289 | D281-R285 VanDerWaalsContact O-CB 3.3Å; D281-R285 WeakPolarHBondContact O-CB 3.29Å; D281-R285 WeakPolarHBondContact O-CG 3.49Å; D281-R285 PolarHBondContact O-N 3.01Å; D281-R285 VanDerWaalsContact O-N 3.08Å; D281-R285 PolarHBondContact O-NE 2.78Å; E282-R285 PolarHBondContact O-N 2.97Å; E282-R285 IonicContact OE1-NH1 3.39Å; E282-R285 IonicContact OE1-NH2 3.89Å; R285-L288 PolarHBondContact O-N 3.46Å; R285-L289 WeakPolarHBondContact O-CB 3.25Å; R285-L289 PolarHBondContact O-N 2.83Å |
| 286 | D | 95.7 | Very high | 91.2 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 10% | 0.096 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71 | -39.8 | 178.3 | -90 | -9.5 | 0 | 0 | 0 | 112.6 | I263 I268 R271 Y277 E282 L283 E284 L288 L289 L290 | I263-D286 HydrophobicContact CD1-CB 3.66Å; I263-D286 WeakPolarHBondContact CD1-OD1 3.48Å; I263-D286 WeakPolarHBondContact CD1-OD2 3.41Å; I268-D286 HydrophobicContact CD1-CB 4.3Å; I268-D286 HydrophobicContact CG1-CB 4.12Å; R271-D286 VanDerWaalsContact CD-OD2 3.31Å; R271-D286 WeakPolarHBondContact CD-OD2 3.44Å; R271-D286 IonicContact CZ-OD2 3.73Å; R271-D286 IonicContact NE-OD2 2.78Å; R271-D286 VanDerWaalsContact NH1-CG 3.27Å; R271-D286 IonicContact NH1-OD1 3.85Å; R271-D286 PolarHBondContact NH1-OD1 2.88Å; R271-D286 VanDerWaalsContact NH1-OD1 3.14Å; R271-D286 IonicContact NH1-OD2 2.65Å; R271-D286 PolarHBondContact NH1-OD2 3.31Å; Y277-D286 HydrophobicContact CE1-CB 4.1Å; Y277-D286 WeakPolarHBondContact CE1-OD2 3.28Å; Y277-D286 VanDerWaalsContact CZ-OD2 3.26Å; Y277-D286 WeakPolarHBondContact OH-CB 3.24Å; Y277-D286 PolarHBondContact OH-OD2 2.81Å; E282-D286 PolarHBondContact O-N 2.79Å; E282-D286 VanDerWaalsContact O-N 3.08Å; L283-D286 PolarHBondContact O-N 2.98Å; E284-D286 VanDerWaalsContact C-N 3.34Å; E284-D286 PolarHBondContact O-N 3.15Å; D286-L288 VanDerWaalsContact C-N 3.3Å; D286-L288 PolarHBondContact O-N 3.36Å; D286-L289 PolarHBondContact O-N 2.81Å; D286-L290 WeakPolarHBondContact O-CB 3.45Å; D286-L290 PolarHBondContact O-N 2.78Å |
| 287 | F | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64 | -34.4 | 170.9 | -83.4 | -64.8 | 0 | 0 | 0 | 112.6 | F225 I228 L265 I268 L283 E284 L290 A291 L311 L315 | F225-F287 HydrophobicContact CD2-CE2 4.41Å; F225-F287 AromaticContact CD2-CZ 3.67Å; F225-F287 HydrophobicContact CD2-CZ 3.67Å; F225-F287 HydrophobicContact CE2-CZ 4.32Å; F225-F287 HydrophobicContact CG-CZ 4.45Å; I228-F287 HydrophobicContact CB-CE1 4.19Å; I228-F287 HydrophobicContact CB-CZ 4.13Å; I228-F287 HydrophobicContact CD1-CD1 4.28Å; I228-F287 HydrophobicContact CD1-CD2 3.95Å; I228-F287 HydrophobicContact CD1-CE1 3.96Å; I228-F287 HydrophobicContact CD1-CE2 3.6Å; I228-F287 HydrophobicContact CD1-CG 4.28Å; I228-F287 HydrophobicContact CD1-CZ 3.61Å; I228-F287 HydrophobicContact CG1-CZ 4.48Å; I228-F287 HydrophobicContact CG2-CD1 4.3Å; I228-F287 HydrophobicContact CG2-CE1 3.69Å; I228-F287 HydrophobicContact CG2-CZ 4.15Å; L265-F287 HydrophobicContact CD2-CD1 4.18Å; L265-F287 HydrophobicContact CD2-CE1 3.53Å; L265-F287 HydrophobicContact CD2-CZ 4.47Å; I268-F287 HydrophobicContact CD1-CD1 4.04Å; I268-F287 HydrophobicContact CD1-CE1 4.31Å; I268-F287 HydrophobicContact CD1-CG 4.38Å; I268-F287 HydrophobicContact CG2-CE2 4.21Å; I268-F287 HydrophobicContact CG2-CZ 4.14Å; L283-F287 HydrophobicContact CD1-CD2 3.84Å; L283-F287 HydrophobicContact CD1-CE2 3.56Å; L283-F287 HydrophobicContact CD2-CE2 4.48Å; L283-F287 HydrophobicContact CG-CD2 3.99Å; L283-F287 HydrophobicContact CG-CE2 3.88Å; L283-F287 VanDerWaalsContact O-CD2 3.3Å; L283-F287 WeakPolarHBondContact O-CD2 3.38Å; L283-F287 PolarHBondContact O-N 2.86Å; L283-F287 VanDerWaalsContact O-N 3.1Å; E284-F287 PolarHBondContact O-N 3.27Å; F287-L290 HydrophobicContact CD1-CD2 4.32Å; F287-A291 WeakPolarHBondContact O-CB 3.39Å; F287-A291 PolarHBondContact O-N 3.12Å; F287-A291 VanDerWaalsContact O-N 3.1Å; F287-L311 HydrophobicContact CB-CD2 4.28Å; F287-L311 HydrophobicContact CD1-CD2 4.1Å; F287-L315 HydrophobicContact CB-CD1 3.73Å; F287-L315 HydrophobicContact CB-CD2 3.6Å; F287-L315 HydrophobicContact CB-CG 4.31Å; F287-L315 HydrophobicContact CD2-CD1 3.79Å; F287-L315 HydrophobicContact CG-CD1 3.93Å |
| 288 | L | 94 | Very high | 91.7 | Very high | 67 Ų | 67 | 44.8 Ų | 44.8 | 35% | 0.351 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -71.4 | -36.7 | 173 | -73.3 | 172 | 0 | 0 | 0 | 111.9 | E284 R285 D286 A291 R292 L315 | E284-L288 HydrophobicContact CG-CD1 3.92Å; E284-L288 HydrophobicContact CG-CG 4.17Å; E284-L288 VanDerWaalsContact O-CB 3.3Å; E284-L288 WeakPolarHBondContact O-CB 3.4Å; E284-L288 VanDerWaalsContact O-CG 3.23Å; E284-L288 WeakPolarHBondContact O-CG 3.27Å; E284-L288 PolarHBondContact O-N 3.31Å; R285-L288 PolarHBondContact O-N 3.46Å; D286-L288 VanDerWaalsContact C-N 3.3Å; D286-L288 PolarHBondContact O-N 3.36Å; L288-A291 PolarHBondContact O-N 3.42Å; L288-R292 WeakPolarHBondContact O-CB 3.19Å; L288-R292 PolarHBondContact O-N 2.85Å; L288-L315 HydrophobicContact CD2-CD2 3.89Å; L288-L315 HydrophobicContact CG-CD2 3.77Å |
| 289 | L | 95.1 | Very high | 91.9 | Very high | 37 Ų | 37 | 48.6 Ų | 48.6 | 19% | 0.194 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66 | -45.8 | 174.7 | 179.4 | 60.6 | 0 | 0 | 0 | 111 | E261 I263 R285 D286 A291 R292 N293 | E261-L289 HydrophobicContact CB-CD1 4.48Å; E261-L289 HydrophobicContact CB-CD2 4.18Å; I263-L289 HydrophobicContact CG2-CB 4.3Å; I263-L289 HydrophobicContact CG2-CD2 4.08Å; I263-L289 HydrophobicContact CG2-CG 3.91Å; R285-L289 WeakPolarHBondContact O-CB 3.25Å; R285-L289 PolarHBondContact O-N 2.83Å; D286-L289 PolarHBondContact O-N 2.81Å; L289-A291 PolarHBondContact O-N 3.32Å; L289-R292 PolarHBondContact O-N 2.78Å; L289-R292 VanDerWaalsContact O-N 3.15Å; L289-N293 WeakPolarHBondContact O-CB 3.32Å; L289-N293 PolarHBondContact O-N 2.85Å; L289-N293 PolarHBondContact O-ND2 3.41Å |
| 290 | L | 95.2 | Very high | 91.4 | Very high | 9 Ų | 9 | 51 Ų | 51 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -51.1 | -53.6 | 170.9 | -179.4 | 71.8 | 0 | 0 | 0 | 111 | F243 I263 L265 I268 D286 F287 R292 N293 A294 L311 | F243-L290 HydrophobicContact CB-CD1 4.23Å; F243-L290 HydrophobicContact CB-CD2 4.11Å; F243-L290 HydrophobicContact CB-CG 4.47Å; F243-L290 HydrophobicContact CD1-CD1 4.45Å; F243-L290 HydrophobicContact CD1-CG 4.49Å; F243-L290 HydrophobicContact CG-CD2 4.38Å; I263-L290 HydrophobicContact CG2-CB 4.07Å; I263-L290 HydrophobicContact CG2-CD1 4.4Å; I263-L290 VanDerWaalsContact O-CD1 3.25Å; I263-L290 WeakPolarHBondContact O-CD1 3.41Å; L265-L290 HydrophobicContact CD2-CD2 3.62Å; L265-L290 HydrophobicContact CG-CD2 4.03Å; I268-L290 HydrophobicContact CD1-CB 4.47Å; I268-L290 HydrophobicContact CD1-CD2 4.14Å; D286-L290 WeakPolarHBondContact O-CB 3.45Å; D286-L290 PolarHBondContact O-N 2.78Å; F287-L290 HydrophobicContact CD1-CD2 4.32Å; L290-R292 VanDerWaalsContact C-N 3.34Å; L290-R292 PolarHBondContact O-N 2.67Å; L290-N293 PolarHBondContact O-N 3.44Å; L290-A294 WeakPolarHBondContact O-CB 3.24Å; L290-A294 PolarHBondContact O-N 3.02Å; L290-A294 VanDerWaalsContact O-N 3.08Å; L290-L311 HydrophobicContact CD2-CD1 4.17Å |
| 291 | A | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.5 | -31.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F287 L288 L289 K295 A308 L311 S312 | F287-A291 WeakPolarHBondContact O-CB 3.39Å; F287-A291 PolarHBondContact O-N 3.12Å; F287-A291 VanDerWaalsContact O-N 3.1Å; L288-A291 PolarHBondContact O-N 3.42Å; L289-A291 PolarHBondContact O-N 3.32Å; A291-K295 WeakPolarHBondContact O-CB 3.4Å; A291-K295 VanDerWaalsContact O-CD 3.27Å; A291-K295 WeakPolarHBondContact O-CD 3.4Å; A291-K295 WeakPolarHBondContact O-CE 3.18Å; A291-K295 WeakPolarHBondContact O-CG 3.35Å; A291-K295 PolarHBondContact O-N 3.13Å; A291-A308 HydrophobicContact CB-CB 4.32Å; A291-L311 HydrophobicContact CB-CD2 4.35Å; A291-S312 VanDerWaalsContact CB-OG 3.24Å; A291-S312 WeakPolarHBondContact CB-OG 3.47Å |
| 292 | R | 94.1 | Very high | 91.1 | Very high | 176 Ų | 176 | 57 Ų | 57 | 66% | 0.664 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -70.9 | -48.7 | 176.3 | -174.9 | 176.9 | -173.8 | 167.5 | 2.1 | 110.6 | L288 L289 L290 A294 K295 T296 | L288-R292 WeakPolarHBondContact O-CB 3.19Å; L288-R292 PolarHBondContact O-N 2.85Å; L289-R292 PolarHBondContact O-N 2.78Å; L289-R292 VanDerWaalsContact O-N 3.15Å; L290-R292 VanDerWaalsContact C-N 3.34Å; L290-R292 PolarHBondContact O-N 2.67Å; R292-A294 VanDerWaalsContact C-N 3.32Å; R292-A294 PolarHBondContact O-N 2.84Å; R292-K295 CarbonylContact O-C 3.56Å; R292-K295 PolarHBondContact O-N 3.38Å; R292-K295 VanDerWaalsContact O-N 3.09Å; R292-T296 WeakPolarHBondContact O-CB 3.37Å; R292-T296 PolarHBondContact O-N 3.26Å; R292-T296 PolarHBondContact O-OG1 3.03Å |
| 293 | N | 93.6 | Very high | 91 | Very high | 11 Ų | 11 | 58.6 Ų | 58.6 | 6% | 0.059 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.7 | -46.9 | 177 | -71.5 | -17.7 | 0 | 0 | 0 | 111.4 | I259 E261 L289 L290 K295 T296 F297 | I259-N293 HydrophobicContact CD1-CB 4.15Å; I259-N293 HydrophobicContact CG1-CB 4.45Å; I259-N293 HydrophobicContact CG2-CB 4.05Å; I259-N293 VanDerWaalsContact CG2-CG 3.49Å; I259-N293 WeakPolarHBondContact CG2-OD1 3.49Å; E261-N293 PolarHBondContact O-ND2 3.47Å; L289-N293 WeakPolarHBondContact O-CB 3.32Å; L289-N293 PolarHBondContact O-N 2.85Å; L289-N293 PolarHBondContact O-ND2 3.41Å; L290-N293 PolarHBondContact O-N 3.44Å; N293-K295 PolarHBondContact O-N 3.42Å; N293-T296 PolarHBondContact O-N 2.96Å; N293-F297 PolarHBondContact O-N 3.38Å |
| 294 | A | 92.4 | Very high | 90.8 | Very high | 7 Ų | 7 | 61.7 Ų | 61.7 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.2 | -47.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F243 L290 R292 N298 I304 A308 | F243-A294 HydrophobicContact CE1-CB 3.79Å; L290-A294 WeakPolarHBondContact O-CB 3.24Å; L290-A294 PolarHBondContact O-N 3.02Å; L290-A294 VanDerWaalsContact O-N 3.08Å; R292-A294 VanDerWaalsContact C-N 3.32Å; R292-A294 PolarHBondContact O-N 2.84Å; A294-N298 VanDerWaalsContact O-CB 3.27Å; A294-N298 WeakPolarHBondContact O-CB 3.45Å; A294-N298 PolarHBondContact O-N 3.41Å; A294-N298 VanDerWaalsContact O-N 3.09Å; A294-N298 PolarHBondContact O-ND2 2.94Å; A294-I304 HydrophobicContact CB-CG2 4.25Å; A294-A308 HydrophobicContact CB-CB 3.59Å |
| 295 | K | 93.1 | Very high | 90.9 | Very high | 53 Ų | 53 | 64 Ų | 64 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.2 | -27.6 | 178 | -70 | 164.4 | -162.8 | 162.9 | 0 | 114.4 | A291 R292 N293 Y305 A308 A309 S312 | A291-K295 WeakPolarHBondContact O-CB 3.4Å; A291-K295 VanDerWaalsContact O-CD 3.27Å; A291-K295 WeakPolarHBondContact O-CD 3.4Å; A291-K295 WeakPolarHBondContact O-CE 3.18Å; A291-K295 WeakPolarHBondContact O-CG 3.35Å; A291-K295 PolarHBondContact O-N 3.13Å; R292-K295 CarbonylContact O-C 3.56Å; R292-K295 PolarHBondContact O-N 3.38Å; R292-K295 VanDerWaalsContact O-N 3.09Å; N293-K295 PolarHBondContact O-N 3.42Å; K295-Y305 HydrophobicContact CB-CD2 3.96Å; K295-Y305 HydrophobicContact CB-CE2 3.61Å; K295-Y305 HydrophobicContact CG-CD1 4.47Å; K295-Y305 HydrophobicContact CG-CD2 3.97Å; K295-Y305 HydrophobicContact CG-CE1 4.3Å; K295-Y305 HydrophobicContact CG-CE2 3.79Å; K295-Y305 HydrophobicContact CG-CG 4.29Å; K295-Y305 WeakPolarHBondContact O-CE2 3.42Å; K295-A308 WeakPolarHBondContact CE-O 3.48Å; K295-A308 HydrophobicContact CG-CB 4.07Å; K295-A308 PolarHBondContact NZ-O 3.43Å; K295-A309 VanDerWaalsContact CE-CA 3.48Å; K295-A309 VanDerWaalsContact CE-N 3.3Å; K295-S312 PolarHBondContact NZ-OG 2.98Å |
| 296 | T | 91.3 | Very high | 90.8 | Very high | 83 Ų | 83 | 62.5 Ų | 62.5 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -79.6 | -31.3 | -179.8 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | V258 I259 R292 N293 | V258-T296 HydrophobicContact CG1-CG2 4.34Å; I259-T296 HydrophobicContact CD1-CG2 4.02Å; R292-T296 WeakPolarHBondContact O-CB 3.37Å; R292-T296 PolarHBondContact O-N 3.26Å; R292-T296 PolarHBondContact O-OG1 3.03Å; N293-T296 PolarHBondContact O-N 2.96Å |
| 297 | F | 92.3 | Very high | 90.6 | Very high | 71 Ų | 71 | 62.2 Ų | 62.2 | 31% | 0.311 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -90.6 | -31.7 | 178.1 | -168.6 | -104.6 | 0 | 0 | 0 | 114.2 | V254 Y255 V258 I259 N293 | V254-F297 HydrophobicContact CB-CE2 4.47Å; V254-F297 HydrophobicContact CG1-CE2 4.3Å; Y255-F297 VanDerWaalsContact CA-CE2 3.44Å; Y255-F297 HydrophobicContact CD2-CB 4.07Å; Y255-F297 AromaticContact CD2-CD1 3.71Å; Y255-F297 HydrophobicContact CD2-CD1 3.71Å; Y255-F297 AromaticContact CD2-CD2 3.95Å; Y255-F297 HydrophobicContact CD2-CD2 3.95Å; Y255-F297 HydrophobicContact CD2-CE1 4.09Å; Y255-F297 HydrophobicContact CD2-CE2 4.33Å; Y255-F297 AromaticContact CD2-CG 3.62Å; Y255-F297 HydrophobicContact CD2-CG 3.62Å; Y255-F297 HydrophobicContact CD2-CZ 4.39Å; Y255-F297 HydrophobicContact CE2-CB 4.19Å; Y255-F297 HydrophobicContact CE2-CD1 4.41Å; Y255-F297 HydrophobicContact CE2-CG 4.24Å; V258-F297 HydrophobicContact CB-CD2 4.19Å; V258-F297 HydrophobicContact CG1-CD2 4.36Å; V258-F297 HydrophobicContact CG2-CD2 4.44Å; V258-F297 HydrophobicContact CG2-CE2 4.49Å; I259-F297 HydrophobicContact CD1-CB 4.34Å; I259-F297 HydrophobicContact CG1-CB 4.34Å; N293-F297 PolarHBondContact O-N 3.38Å |
| 298 | N | 89 | Confident | 90.5 | Very high | 36 Ų | 36 | 62.2 Ų | 62.2 | 19% | 0.193 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -93.7 | 148 | -177.3 | -71.5 | -92.9 | 0 | 0 | 0 | 112.6 | A294 S302 Y305 | A294-N298 VanDerWaalsContact O-CB 3.27Å; A294-N298 WeakPolarHBondContact O-CB 3.45Å; A294-N298 PolarHBondContact O-N 3.41Å; A294-N298 VanDerWaalsContact O-N 3.09Å; A294-N298 PolarHBondContact O-ND2 2.94Å; N298-S302 WeakPolarHBondContact CB-OG 3.47Å; N298-S302 PolarHBondContact OD1-OG 3.46Å; N298-Y305 WeakPolarHBondContact O-CD2 3.49Å |
| 299 | E | 85 | Confident | 90.4 | Very high | 125 Ų | 125 | 60.8 Ų | 60.8 | 58% | 0.584 | 30% | 0.304 | S | S | * | . | trans | -67 | 144.2 | 172.6 | -71.7 | -153.1 | 132.6 | 0 | 0 | 112.2 | K301 S302 Y305 R1653 | E299-K301 PolarHBondContact O-N 2.97Å; E299-S302 PolarHBondContact O-N 2.94Å; E299-Y305 WeakPolarHBondContact O-CB 3.33Å; E299-R1653 IonicContact OE1-CZ 3.71Å; E299-R1653 IonicContact OE1-NH2 3.09Å; E299-R1653 PolarHBondContact OE1-NH2 3.3Å | ||
| 300 | P | 75.7 | Confident | 90.1 | Very high | 89 Ų | 89 | 60.3 Ų | 60.3 | 58% | 0.578 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 71.4 | -179.6 | 30.8 | -36.9 | 0 | 0 | 0 | 112.3 | Y305 | P300-Y305 HydrophobicContact CB-CD1 4.42Å; P300-Y305 HydrophobicContact CB-CD2 4.23Å; P300-Y305 HydrophobicContact CB-CE1 4.03Å; P300-Y305 HydrophobicContact CB-CE2 3.81Å |
| 301 | K | 80.2 | Confident | 89.9 | Confident | 176 Ų | 176 | 60 Ų | 60 | 77% | 0.765 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 179.7 | -19.7 | 171.9 | -104.1 | 158.7 | -172.1 | 178.7 | 0 | 111.7 | E299 Q306 | E299-K301 PolarHBondContact O-N 2.97Å; K301-Q306 PolarHBondContact O-NE2 3.23Å |
| 302 | S | 90.4 | Very high | 89.7 | Confident | 37 Ų | 37 | 61.2 Ų | 61.2 | 26% | 0.259 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -61 | 152.1 | 179.1 | 101.6 | 0 | 0 | 0 | 0 | 111.2 | N298 E299 I304 Y305 Q306 | N298-S302 WeakPolarHBondContact CB-OG 3.47Å; N298-S302 PolarHBondContact OD1-OG 3.46Å; E299-S302 PolarHBondContact O-N 2.94Å; S302-I304 PolarHBondContact O-N 3.23Å; S302-I304 PolarHBondContact OG-N 3.13Å; S302-Y305 WeakPolarHBondContact O-CB 3.06Å; S302-Y305 PolarHBondContact O-N 3.5Å; S302-Y305 PolarHBondContact OG-N 3.43Å; S302-Q306 WeakPolarHBondContact O-CG 3.33Å; S302-Q306 PolarHBondContact O-N 2.92Å |
| 303 | V | 86.9 | Confident | 89.5 | Confident | 76 Ų | 76 | 60.2 Ų | 60.2 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.7 | -35.4 | 179.8 | -165.3 | 0 | 0 | 0 | 0 | 110.9 | Y305 Q306 D307 | V303-Y305 VanDerWaalsContact C-N 3.33Å; V303-Y305 PolarHBondContact O-N 3.5Å; V303-Q306 PolarHBondContact O-N 3.23Å; V303-Q306 VanDerWaalsContact O-N 3.15Å; V303-D307 WeakPolarHBondContact O-CB 3.33Å; V303-D307 VanDerWaalsContact O-CG 3.25Å; V303-D307 PolarHBondContact O-N 3.18Å |
| 304 | I | 90.2 | Very high | 89.2 | Confident | 65 Ų | 65 | 60.6 Ų | 60.6 | 33% | 0.333 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 175.9 | -52.7 | 178.6 | 0 | 0 | 0 | 111.3 | T242 F243 A294 S302 A308 | T242-I304 HydrophobicContact CG2-CB 4.19Å; T242-I304 HydrophobicContact CG2-CG1 3.79Å; T242-I304 HydrophobicContact CG2-CG2 3.97Å; F243-I304 HydrophobicContact CE1-CG2 3.98Å; F243-I304 HydrophobicContact CZ-CG2 4.45Å; A294-I304 HydrophobicContact CB-CG2 4.25Å; S302-I304 PolarHBondContact O-N 3.23Å; S302-I304 PolarHBondContact OG-N 3.13Å; I304-A308 VanDerWaalsContact O-CB 3.26Å; I304-A308 WeakPolarHBondContact O-CB 3.36Å; I304-A308 PolarHBondContact O-N 3.43Å |
| 305 | Y | 93.3 | Very high | 89.1 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 27% | 0.271 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 173.6 | -168.4 | -74.5 | 0 | 0 | 0 | 111.5 | K295 N298 E299 P300 S302 V303 A308 A309 | K295-Y305 HydrophobicContact CB-CD2 3.96Å; K295-Y305 HydrophobicContact CB-CE2 3.61Å; K295-Y305 HydrophobicContact CG-CD1 4.47Å; K295-Y305 HydrophobicContact CG-CD2 3.97Å; K295-Y305 HydrophobicContact CG-CE1 4.3Å; K295-Y305 HydrophobicContact CG-CE2 3.79Å; K295-Y305 HydrophobicContact CG-CG 4.29Å; K295-Y305 WeakPolarHBondContact O-CE2 3.42Å; N298-Y305 WeakPolarHBondContact O-CD2 3.49Å; E299-Y305 WeakPolarHBondContact O-CB 3.33Å; P300-Y305 HydrophobicContact CB-CD1 4.42Å; P300-Y305 HydrophobicContact CB-CD2 4.23Å; P300-Y305 HydrophobicContact CB-CE1 4.03Å; P300-Y305 HydrophobicContact CB-CE2 3.81Å; S302-Y305 WeakPolarHBondContact O-CB 3.06Å; S302-Y305 PolarHBondContact O-N 3.5Å; S302-Y305 PolarHBondContact OG-N 3.43Å; V303-Y305 VanDerWaalsContact C-N 3.33Å; V303-Y305 PolarHBondContact O-N 3.5Å; Y305-A308 PolarHBondContact O-N 3.49Å; Y305-A309 WeakPolarHBondContact O-CB 3.4Å; Y305-A309 PolarHBondContact O-N 3.29Å |
| 306 | Q | 90.9 | Very high | 88.5 | Confident | 108 Ų | 108 | 65 Ų | 65 | 51% | 0.505 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 178.7 | -65.3 | -176.3 | 48.3 | 0 | 0 | 112.5 | K301 S302 V303 A308 A309 T310 | K301-Q306 PolarHBondContact O-NE2 3.23Å; S302-Q306 WeakPolarHBondContact O-CG 3.33Å; S302-Q306 PolarHBondContact O-N 2.92Å; V303-Q306 PolarHBondContact O-N 3.23Å; V303-Q306 VanDerWaalsContact O-N 3.15Å; Q306-A308 VanDerWaalsContact C-N 3.34Å; Q306-A308 PolarHBondContact O-N 2.89Å; Q306-A309 PolarHBondContact O-N 3.4Å; Q306-T310 WeakPolarHBondContact O-CB 3.22Å; Q306-T310 PolarHBondContact O-N 3.27Å; Q306-T310 PolarHBondContact O-OG1 3.35Å |
| 307 | D | 90.7 | Very high | 88 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.064 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 172 | -72 | -7.5 | 0 | 0 | 0 | 109.3 | R237 L239 T242 F243 V303 A309 T310 L311 | R237-D307 IonicContact CZ-OD2 2.84Å; R237-D307 IonicContact NE-OD1 3.51Å; R237-D307 IonicContact NE-OD2 3.58Å; R237-D307 IonicContact NH2-OD1 2.73Å; R237-D307 IonicContact NH2-OD2 3.68Å; R237-D307 PolarHBondContact NH2-OD2 2.93Å; L239-D307 WeakPolarHBondContact CD2-O 3.45Å; L239-D307 HydrophobicContact CG-CB 4.31Å; T242-D307 PolarHBondContact OG1-OD2 2.89Å; F243-D307 HydrophobicContact CE2-CB 3.76Å; F243-D307 HydrophobicContact CZ-CB 3.76Å; V303-D307 WeakPolarHBondContact O-CB 3.33Å; V303-D307 VanDerWaalsContact O-CG 3.25Å; V303-D307 PolarHBondContact O-N 3.18Å; D307-A309 PolarHBondContact O-N 3.17Å; D307-T310 CarbonylContact O-C 3.53Å; D307-T310 PolarHBondContact O-N 2.98Å; D307-T310 VanDerWaalsContact O-N 3.14Å; D307-L311 WeakPolarHBondContact O-CB 3.27Å; D307-L311 PolarHBondContact O-N 2.95Å |
| 308 | A | 93.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.4 | -32.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F243 A291 A294 K295 I304 Y305 Q306 T310 S312 | F243-A308 HydrophobicContact CE1-CB 4.42Å; F243-A308 HydrophobicContact CZ-CB 3.93Å; A291-A308 HydrophobicContact CB-CB 4.32Å; A294-A308 HydrophobicContact CB-CB 3.59Å; K295-A308 WeakPolarHBondContact CE-O 3.48Å; K295-A308 HydrophobicContact CG-CB 4.07Å; K295-A308 PolarHBondContact NZ-O 3.43Å; I304-A308 VanDerWaalsContact O-CB 3.26Å; I304-A308 WeakPolarHBondContact O-CB 3.36Å; I304-A308 PolarHBondContact O-N 3.43Å; Y305-A308 PolarHBondContact O-N 3.49Å; Q306-A308 VanDerWaalsContact C-N 3.34Å; Q306-A308 PolarHBondContact O-N 2.89Å; A308-T310 VanDerWaalsContact C-N 3.29Å; A308-S312 PolarHBondContact O-N 3.42Å; A308-S312 PolarHBondContact O-OG 3.06Å |
| 309 | A | 91.1 | Very high | 87.5 | Confident | 36 Ų | 36 | 62.4 Ų | 62.4 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.7 | -31.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K295 Y305 Q306 D307 | K295-A309 VanDerWaalsContact CE-CA 3.48Å; K295-A309 VanDerWaalsContact CE-N 3.3Å; Y305-A309 WeakPolarHBondContact O-CB 3.4Å; Y305-A309 PolarHBondContact O-N 3.29Å; Q306-A309 PolarHBondContact O-N 3.4Å; D307-A309 PolarHBondContact O-N 3.17Å |
| 310 | T | 89.9 | Confident | 87.1 | Confident | 28 Ų | 28 | 59.9 Ų | 59.9 | 17% | 0.172 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -79.6 | -40.2 | 177.1 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | L239 Q306 D307 A308 S312 R313 I314 | L239-T310 HydrophobicContact CD1-CG2 4.45Å; L239-T310 HydrophobicContact CD2-CG2 4.09Å; Q306-T310 WeakPolarHBondContact O-CB 3.22Å; Q306-T310 PolarHBondContact O-N 3.27Å; Q306-T310 PolarHBondContact O-OG1 3.35Å; D307-T310 CarbonylContact O-C 3.53Å; D307-T310 PolarHBondContact O-N 2.98Å; D307-T310 VanDerWaalsContact O-N 3.14Å; A308-T310 VanDerWaalsContact C-N 3.29Å; T310-S312 PolarHBondContact O-N 3.16Å; T310-R313 WeakPolarHBondContact O-CA 3.14Å; T310-R313 VanDerWaalsContact O-CB 3.28Å; T310-R313 WeakPolarHBondContact O-CB 3.3Å; T310-R313 PolarHBondContact O-N 2.69Å; T310-R313 PolarHBondContact OG1-NH2 3.06Å; T310-I314 HydrophobicContact CG2-CD1 3.79Å; T310-I314 HydrophobicContact CG2-CG1 4.37Å; T310-I314 WeakPolarHBondContact O-CD1 3.45Å; T310-I314 WeakPolarHBondContact O-CG1 3.42Å; T310-I314 PolarHBondContact O-N 3.47Å |
| 311 | L | 91.2 | Very high | 87.1 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.9 | -49.1 | 173.9 | -165.3 | 150 | 0 | 0 | 0 | 111.8 | I228 L239 F243 F287 L290 A291 D307 R313 I314 L315 | I228-L311 HydrophobicContact CG2-CD1 4.32Å; I228-L311 HydrophobicContact CG2-CG 4.3Å; L239-L311 HydrophobicContact CD2-CB 4.07Å; F243-L311 HydrophobicContact CD2-CD1 3.92Å; F243-L311 HydrophobicContact CE2-CD1 4.08Å; F287-L311 HydrophobicContact CB-CD2 4.28Å; F287-L311 HydrophobicContact CD1-CD2 4.1Å; L290-L311 HydrophobicContact CD2-CD1 4.17Å; A291-L311 HydrophobicContact CB-CD2 4.35Å; D307-L311 WeakPolarHBondContact O-CB 3.27Å; D307-L311 PolarHBondContact O-N 2.95Å; L311-R313 PolarHBondContact O-N 3.32Å; L311-I314 PolarHBondContact O-N 3.41Å; L311-L315 VanDerWaalsContact O-CB 3.25Å; L311-L315 WeakPolarHBondContact O-CB 3.43Å; L311-L315 PolarHBondContact O-N 3.28Å |
| 312 | S | 89.7 | Confident | 87 | Confident | 26 Ų | 26 | 51.6 Ų | 51.6 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -21.3 | 176.1 | -53.2 | 0 | 0 | 0 | 0 | 114.4 | A291 K295 A308 T310 | A291-S312 VanDerWaalsContact CB-OG 3.24Å; A291-S312 WeakPolarHBondContact CB-OG 3.47Å; K295-S312 PolarHBondContact NZ-OG 2.98Å; A308-S312 PolarHBondContact O-N 3.42Å; A308-S312 PolarHBondContact O-OG 3.06Å; T310-S312 PolarHBondContact O-N 3.16Å |
| 313 | R | 88.6 | Confident | 86.1 | Confident | 155 Ų | 155 | 53.3 Ų | 53.3 | 59% | 0.585 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -81.9 | -44.4 | 177.5 | -161.7 | -166.6 | -47.5 | 122.9 | 15.5 | 110.9 | T310 L311 | T310-R313 WeakPolarHBondContact O-CA 3.14Å; T310-R313 VanDerWaalsContact O-CB 3.28Å; T310-R313 WeakPolarHBondContact O-CB 3.3Å; T310-R313 PolarHBondContact O-N 2.69Å; T310-R313 PolarHBondContact OG1-NH2 3.06Å; L311-R313 PolarHBondContact O-N 3.32Å |
| 314 | I | 87.9 | Confident | 85.3 | Confident | 18 Ų | 18 | 56.6 Ų | 56.6 | 9% | 0.092 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 177.6 | -59.9 | 152.4 | 0 | 0 | 0 | 110.3 | Y231 L239 T310 L311 K316 G317 K318 | Y231-I314 HydrophobicContact CD1-CD1 3.33Å; Y231-I314 HydrophobicContact CD1-CG1 4.26Å; Y231-I314 HydrophobicContact CD2-CD1 3.94Å; Y231-I314 HydrophobicContact CD2-CG1 4.09Å; Y231-I314 HydrophobicContact CD2-CG2 3.68Å; Y231-I314 HydrophobicContact CE1-CD1 3.3Å; Y231-I314 HydrophobicContact CE1-CG1 3.94Å; Y231-I314 HydrophobicContact CE2-CD1 3.91Å; Y231-I314 HydrophobicContact CE2-CG1 3.76Å; Y231-I314 HydrophobicContact CE2-CG2 3.93Å; Y231-I314 HydrophobicContact CG-CD1 3.66Å; Y231-I314 HydrophobicContact CG-CG1 4.33Å; Y231-I314 HydrophobicContact CG-CG2 4.24Å; L239-I314 HydrophobicContact CD2-CD1 4Å; T310-I314 HydrophobicContact CG2-CD1 3.79Å; T310-I314 HydrophobicContact CG2-CG1 4.37Å; T310-I314 WeakPolarHBondContact O-CD1 3.45Å; T310-I314 WeakPolarHBondContact O-CG1 3.42Å; T310-I314 PolarHBondContact O-N 3.47Å; L311-I314 PolarHBondContact O-N 3.41Å; I314-K316 PolarHBondContact O-N 2.94Å; I314-G317 WeakPolarHBondContact O-CA 3.5Å; I314-G317 PolarHBondContact O-N 2.76Å; I314-K318 HydrophobicContact CG2-CG 4.01Å; I314-K318 PolarHBondContact O-N 3.34Å |
| 315 | L | 90 | Very high | 83.6 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -50 | -50.8 | -177.5 | -178.9 | 65.2 | 0 | 0 | 0 | 112.3 | L224 I228 E284 F287 L288 L311 G317 K318 R319 | L224-L315 HydrophobicContact CD2-CD1 4.42Å; I228-L315 HydrophobicContact CD1-CD1 3.59Å; E284-L315 HydrophobicContact CG-CD1 4.1Å; E284-L315 HydrophobicContact CG-CD2 3.55Å; E284-L315 HydrophobicContact CG-CG 3.72Å; F287-L315 HydrophobicContact CB-CD1 3.73Å; F287-L315 HydrophobicContact CB-CD2 3.6Å; F287-L315 HydrophobicContact CB-CG 4.31Å; F287-L315 HydrophobicContact CD2-CD1 3.79Å; F287-L315 HydrophobicContact CG-CD1 3.93Å; L288-L315 HydrophobicContact CD2-CD2 3.89Å; L288-L315 HydrophobicContact CG-CD2 3.77Å; L311-L315 VanDerWaalsContact O-CB 3.25Å; L311-L315 WeakPolarHBondContact O-CB 3.43Å; L311-L315 PolarHBondContact O-N 3.28Å; L315-G317 VanDerWaalsContact C-N 3.31Å; L315-G317 PolarHBondContact O-N 2.78Å; L315-K318 PolarHBondContact O-N 3.34Å; L315-R319 VanDerWaalsContact O-CB 3.29Å; L315-R319 WeakPolarHBondContact O-CB 3.08Å; L315-R319 PolarHBondContact O-N 3.04Å |
| 316 | K | 80.5 | Confident | 81.2 | Confident | 153 Ų | 153 | 57.3 Ų | 57.3 | 67% | 0.665 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.6 | -34.1 | 177.1 | -76.9 | -163.8 | 168.3 | -164 | 0 | 114.2 | I314 | I314-K316 PolarHBondContact O-N 2.94Å |
| 317 | G | 81.9 | Confident | 78.6 | Confident | 44 Ų | 44 | 59.4 Ų | 59.4 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -75.3 | -44.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I314 L315 S320 | I314-G317 WeakPolarHBondContact O-CA 3.5Å; I314-G317 PolarHBondContact O-N 2.76Å; L315-G317 VanDerWaalsContact C-N 3.31Å; L315-G317 PolarHBondContact O-N 2.78Å; G317-S320 PolarHBondContact O-OG 3.39Å; G317-S320 VanDerWaalsContact O-OG 3.05Å |
| 318 | K | 87.6 | Confident | 75.7 | Confident | 58 Ų | 58 | 66.6 Ų | 66.6 | 25% | 0.252 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -77.5 | -28.2 | -176.4 | -78.6 | -65.3 | -172.8 | 177.8 | 0 | 114 | L224 I314 L315 S320 E321 A322 | L224-K318 HydrophobicContact CD1-CB 3.67Å; I314-K318 HydrophobicContact CG2-CG 4.01Å; I314-K318 PolarHBondContact O-N 3.34Å; L315-K318 PolarHBondContact O-N 3.34Å; K318-S320 PolarHBondContact O-N 3.37Å; K318-E321 IonicContact NZ-OE2 3.35Å; K318-E321 PolarHBondContact NZ-OE2 2.72Å; K318-E321 PolarHBondContact O-N 3.28Å; K318-A322 PolarHBondContact O-N 2.76Å; K318-A322 VanDerWaalsContact O-N 3.12Å |
| 319 | R | 83.2 | Confident | 73 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 13% | 0.128 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -53.1 | -51.5 | 171.1 | 170.4 | 168.5 | 178.7 | 171.5 | 8.2 | 111.4 | L224 M280 D281 E284 L315 E321 A322 E323 | L224-R319 HydrophobicContact CD2-CB 4.47Å; M280-R319 HydrophobicContact CG-CG 3.92Å; D281-R319 VanDerWaalsContact CG-NH2 3.29Å; D281-R319 IonicContact OD1-CZ 3.92Å; D281-R319 IonicContact OD1-NH1 3.79Å; D281-R319 PolarHBondContact OD1-NH1 3.16Å; D281-R319 IonicContact OD1-NH2 3.73Å; D281-R319 PolarHBondContact OD1-NH2 2.9Å; D281-R319 IonicContact OD2-CZ 3.61Å; D281-R319 IonicContact OD2-NH1 2.68Å; D281-R319 IonicContact OD2-NH2 3.56Å; D281-R319 PolarHBondContact OD2-NH2 3Å; E284-R319 WeakPolarHBondContact OE2-CD 3.45Å; E284-R319 IonicContact OE2-CZ 2.94Å; E284-R319 IonicContact OE2-NE 2.66Å; E284-R319 IonicContact OE2-NH1 3.45Å; E284-R319 PolarHBondContact OE2-NH1 2.88Å; L315-R319 VanDerWaalsContact O-CB 3.29Å; L315-R319 WeakPolarHBondContact O-CB 3.08Å; L315-R319 PolarHBondContact O-N 3.04Å; R319-E321 VanDerWaalsContact C-N 3.32Å; R319-E321 PolarHBondContact O-N 3.02Å; R319-A322 PolarHBondContact O-N 2.83Å; R319-A322 VanDerWaalsContact O-N 3.1Å; R319-E323 HydrophobicContact CG-CG 4.44Å; R319-E323 WeakPolarHBondContact CG-OE2 3.4Å; R319-E323 IonicContact CZ-OE1 3.57Å; R319-E323 IonicContact CZ-OE2 2.79Å; R319-E323 VanDerWaalsContact NE-CD 3.25Å; R319-E323 IonicContact NE-OE1 2.79Å; R319-E323 PolarHBondContact NE-OE1 2.91Å; R319-E323 IonicContact NE-OE2 3.23Å; R319-E323 PolarHBondContact NE-OE2 3.36Å; R319-E323 IonicContact NH2-OE1 2.84Å; R319-E323 PolarHBondContact NH2-OE1 3.35Å; R319-E323 IonicContact NH2-OE2 3.34Å; R319-E323 PolarHBondContact O-N 3.33Å |
| 320 | S | 76 | Confident | 70.3 | Confident | 72 Ų | 72 | 79 Ų | 79 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.8 | -26.4 | -177.3 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | G317 K318 H324 | G317-S320 PolarHBondContact O-OG 3.39Å; G317-S320 VanDerWaalsContact O-OG 3.05Å; K318-S320 PolarHBondContact O-N 3.37Å; S320-H324 PolarHBondContact O-N 3.33Å |
| 321 | E | 76 | Confident | 67.7 | Low | 84 Ų | 84 | 88.9 Ų | 88.9 | 39% | 0.393 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -74.8 | -26.8 | 172.4 | -173 | 166.5 | -144.7 | 0 | 0 | 112.7 | K318 R319 R336 | K318-E321 IonicContact NZ-OE2 3.35Å; K318-E321 PolarHBondContact NZ-OE2 2.72Å; K318-E321 PolarHBondContact O-N 3.28Å; R319-E321 VanDerWaalsContact C-N 3.32Å; R319-E321 PolarHBondContact O-N 3.02Å; E321-R336 IonicContact OE1-NH2 3.79Å; E321-R336 PolarHBondContact OE1-NH2 2.74Å |
| 322 | A | 78.6 | Confident | 64.9 | Low | 6 Ų | 6 | 94.3 Ų | 94.3 | 5% | 0.05 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -93 | -32.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L224 M280 K318 R319 | L224-A322 HydrophobicContact CB-CB 4.06Å; M280-A322 HydrophobicContact CE-CB 3.66Å; K318-A322 PolarHBondContact O-N 2.76Å; K318-A322 VanDerWaalsContact O-N 3.12Å; R319-A322 PolarHBondContact O-N 2.83Å; R319-A322 VanDerWaalsContact O-N 3.1Å |
| 323 | E | 70.6 | Confident | 62.3 | Low | 74 Ų | 74 | 105.1 Ų | 105.1 | 35% | 0.346 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.9 | -32 | 170.6 | -81.5 | 175.2 | 134 | 0 | 0 | 112.5 | M280 R319 P325 | M280-E323 HydrophobicContact CB-CG 3.9Å; M280-E323 WeakPolarHBondContact CB-OE1 3.12Å; M280-E323 HydrophobicContact CE-CG 3.86Å; M280-E323 HydrophobicContact CG-CG 3.83Å; R319-E323 HydrophobicContact CG-CG 4.44Å; R319-E323 WeakPolarHBondContact CG-OE2 3.4Å; R319-E323 IonicContact CZ-OE1 3.57Å; R319-E323 IonicContact CZ-OE2 2.79Å; R319-E323 VanDerWaalsContact NE-CD 3.25Å; R319-E323 IonicContact NE-OE1 2.79Å; R319-E323 PolarHBondContact NE-OE1 2.91Å; R319-E323 IonicContact NE-OE2 3.23Å; R319-E323 PolarHBondContact NE-OE2 3.36Å; R319-E323 IonicContact NH2-OE1 2.84Å; R319-E323 PolarHBondContact NH2-OE1 3.35Å; R319-E323 IonicContact NH2-OE2 3.34Å; R319-E323 PolarHBondContact O-N 3.33Å; E323-P325 VanDerWaalsContact C-CD 3.44Å; E323-P325 WeakPolarHBondContact O-CD 3.16Å |
| 324 | H | 69.3 | Low | 59.5 | Low | 145 Ų | 145 | 101.1 Ų | 101.1 | 67% | 0.671 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -126.6 | 67.4 | -178.1 | -65 | -14 | 0 | 0 | 0 | 111.1 | S320 P326 | S320-H324 PolarHBondContact O-N 3.33Å; H324-P326 WeakPolarHBondContact O-CD 3.42Å; H324-P326 WeakPolarHBondContact O-CG 3.35Å |
| 325 | P | 55.1 | Low | 57 | Low | 86 Ų | 86 | 109.1 Ų | 109.1 | 56% | 0.558 | 55% | 0.551 | S | S | * | * | trans | -54.9 | 110.7 | 170.7 | 24 | -33.4 | 0 | 0 | 0 | 108.3 | E323 V327 | E323-P325 VanDerWaalsContact C-CD 3.44Å; E323-P325 WeakPolarHBondContact O-CD 3.16Å; P325-V327 PolarHBondContact O-N 3.39Å | ||
| 326 | P | 42.8 | Very low | 54.4 | Low | 62 Ų | 62 | 115.7 Ų | 115.7 | 40% | 0.403 | 58% | 0.576 | S | S | . | * | trans | -64 | 113.9 | -154.5 | -31.2 | 38 | 0 | 0 | 0 | 114.4 | H324 R328 | H324-P326 WeakPolarHBondContact O-CD 3.42Å; H324-P326 WeakPolarHBondContact O-CG 3.35Å; P326-R328 PolarHBondContact O-N 3.45Å | ||
| 327 | V | 36.7 | Very low | 52.1 | Low | 152 Ų | 152 | 113.1 Ų | 113.1 | 92% | 0.921 | 58% | 0.583 | S | S | * | * | trans | -62.6 | 96.2 | 176.2 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | P325 | P325-V327 PolarHBondContact O-N 3.39Š| ||
| 328 | R | 29.2 | Very low | 50 | Low | 163 Ų | 163 | 115.3 Ų | 115.3 | 62% | 0.615 | 59% | 0.592 | S | S | * | * | trans | -99.6 | 144.1 | 166.9 | -75.3 | -169.2 | 168.7 | -171.8 | -5.8 | 110 | P326 E332 | P326-R328 PolarHBondContact O-N 3.45Å; R328-E332 WeakPolarHBondContact CD-OE2 3.34Å; R328-E332 IonicContact CZ-OE2 3.45Å; R328-E332 IonicContact NE-OE2 3.76Å; R328-E332 VanDerWaalsContact NH1-CD 3.33Å; R328-E332 IonicContact NH1-OE1 2.8Å; R328-E332 PolarHBondContact NH1-OE1 2.99Å; R328-E332 VanDerWaalsContact NH1-OE1 3.17Å; R328-E332 IonicContact NH1-OE2 3.21Å; R328-E332 PolarHBondContact NH1-OE2 3.23Å | ||
| 329 | T | 36.5 | Very low | 47.8 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 76% | 0.761 | 62% | 0.619 | S | S | * | * | trans | -55 | 162.2 | 178.1 | 51.7 | 0 | 0 | 0 | 0 | 112 | R331 | T329-R331 PolarHBondContact O-N 3.45Š| ||
| 330 | N | 35.7 | Very low | 46.1 | Very low | 174 Ų | 174 | 124.2 Ų | 124.2 | 93% | 0.93 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | 27 | -165.7 | -105.9 | -6.8 | 0 | 0 | 0 | 118.8 | ||
| 331 | R | 35.3 | Very low | 45.6 | Very low | 234 Ų | 234 | 128.4 Ų | 128.4 | 88% | 0.883 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.2 | -4.8 | -173.5 | -160.2 | 168.8 | 178.9 | 175.3 | -0.5 | 115.3 | T329 | T329-R331 PolarHBondContact O-N 3.45Š|
| 332 | E | 32 | Very low | 45.2 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 54% | 0.542 | 64% | 0.636 | S | S | . | * | trans | -118.6 | 18.3 | -177.9 | -70.8 | -164 | 172.1 | 0 | 0 | 115.5 | R328 G334 | R328-E332 WeakPolarHBondContact CD-OE2 3.34Å; R328-E332 IonicContact CZ-OE2 3.45Å; R328-E332 IonicContact NE-OE2 3.76Å; R328-E332 VanDerWaalsContact NH1-CD 3.33Å; R328-E332 IonicContact NH1-OE1 2.8Å; R328-E332 PolarHBondContact NH1-OE1 2.99Å; R328-E332 VanDerWaalsContact NH1-OE1 3.17Å; R328-E332 IonicContact NH1-OE2 3.21Å; R328-E332 PolarHBondContact NH1-OE2 3.23Å; E332-G334 PolarHBondContact O-N 2.88Å | ||
| 333 | R | 34.6 | Very low | 45.3 | Very low | 253 Ų | 253 | 131.7 Ų | 131.7 | 96% | 0.955 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -1.5 | -172.2 | -141.7 | -178.4 | -163.1 | -150 | 3 | 116.4 | ||
| 334 | G | 30.4 | Very low | 45.8 | Very low | 72 Ų | 72 | 129.1 Ų | 129.1 | 74% | 0.742 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | 8.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | E332 | E332-G334 PolarHBondContact O-N 2.88Š|
| 335 | K | 34.5 | Very low | 46.5 | Very low | 186 Ų | 186 | 126.6 Ų | 126.6 | 81% | 0.809 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -137 | 20.1 | -173.1 | -69.5 | -167.1 | 176.3 | -176.9 | 0 | 117.2 | ||
| 336 | R | 34.9 | Very low | 47.9 | Very low | 138 Ų | 138 | 127.3 Ų | 127.3 | 52% | 0.521 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -116.8 | -27.6 | 178.4 | -151.8 | 169.8 | -174 | 145.6 | 1.3 | 116.1 | E321 S338 | E321-R336 IonicContact OE1-NH2 3.79Å; E321-R336 PolarHBondContact OE1-NH2 2.74Å; R336-S338 PolarHBondContact O-N 3.39Å |
| 337 | A | 33.7 | Very low | 50.1 | Low | 98 Ų | 98 | 124.4 Ų | 124.4 | 81% | 0.81 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -64.6 | -24.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R339 | A337-R339 VanDerWaalsContact C-N 3.26Å; A337-R339 PolarHBondContact O-N 3.02Å; A337-R339 VanDerWaalsContact O-N 3.11Å |
| 338 | S | 36.2 | Very low | 52.6 | Low | 90 Ų | 90 | 117.2 Ų | 117.2 | 63% | 0.629 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -84.7 | 33.6 | -176.2 | 65.1 | 0 | 0 | 0 | 0 | 114.7 | R336 | R336-S338 PolarHBondContact O-N 3.39Š|
| 339 | R | 41.5 | Very low | 55.3 | Low | 222 Ų | 222 | 115 Ų | 115 | 84% | 0.838 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -133 | -3.5 | 176.2 | -85 | -167.7 | 171.1 | -165.9 | -3.5 | 115.1 | A337 | A337-R339 VanDerWaalsContact C-N 3.26Å; A337-R339 PolarHBondContact O-N 3.02Å; A337-R339 VanDerWaalsContact O-N 3.11Å |
| 340 | L | 47.5 | Very low | 57.8 | Low | 58 Ų | 58 | 113.5 Ų | 113.5 | 30% | 0.304 | 55% | 0.551 | S | S | . | * | trans | -102.1 | 104.3 | 165.3 | -65.2 | 167.1 | 0 | 0 | 0 | 106.6 | L223 Y342 P344 | L223-L340 HydrophobicContact CD2-CD1 3.91Å; L223-L340 HydrophobicContact CG-CD1 4.48Å; L340-Y342 HydrophobicContact CB-CE2 4.4Å; L340-Y342 HydrophobicContact CD2-CE1 4.46Å; L340-Y342 HydrophobicContact CD2-CE2 3.67Å; L340-Y342 WeakPolarHBondContact CD2-OH 3.25Å; L340-Y342 PolarHBondContact O-N 2.79Å; L340-P344 HydrophobicContact CD1-CG 4.4Å | ||
| 341 | N | 65.4 | Low | 60.5 | Low | 160 Ų | 160 | 106 Ų | 106 | 86% | 0.856 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -76 | 29.2 | 176.5 | -80.9 | 14.8 | 0 | 0 | 0 | 112.2 | ||
| 342 | Y | 68.9 | Low | 63 | Low | 56 Ų | 56 | 95.5 Ų | 95.5 | 22% | 0.22 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -162.7 | 141.3 | -173.2 | 47.5 | -96.8 | 0 | 0 | 0 | 109.1 | A226 K230 L340 V347 | A226-Y342 HydrophobicContact CB-CD2 3.89Å; A226-Y342 HydrophobicContact CB-CE2 3.6Å; K230-Y342 HydrophobicContact CB-CD1 3.96Å; K230-Y342 HydrophobicContact CB-CE1 3.48Å; K230-Y342 VanDerWaalsContact CB-CE1 3.48Å; K230-Y342 HydrophobicContact CB-CE2 4.24Å; K230-Y342 HydrophobicContact CD-CD1 4.43Å; K230-Y342 HydrophobicContact CG-CD1 3.76Å; K230-Y342 HydrophobicContact CG-CD2 4.03Å; K230-Y342 HydrophobicContact CG-CE1 3.79Å; K230-Y342 HydrophobicContact CG-CE2 4.06Å; K230-Y342 HydrophobicContact CG-CG 3.88Å; L340-Y342 HydrophobicContact CB-CE2 4.4Å; L340-Y342 HydrophobicContact CD2-CE1 4.46Å; L340-Y342 HydrophobicContact CD2-CE2 3.67Å; L340-Y342 WeakPolarHBondContact CD2-OH 3.25Å; L340-Y342 PolarHBondContact O-N 2.79Å; Y342-V347 HydrophobicContact CD2-CG2 3.84Å; Y342-V347 HydrophobicContact CG-CG2 4.1Å |
| 343 | I | 79.7 | Confident | 65.4 | Low | 103 Ų | 103 | 94 Ų | 94 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | trans | -79.5 | 125.3 | 177.2 | -62.2 | 166.9 | 0 | 0 | 0 | 107.9 | H345 E346 V347 | I343-H345 VanDerWaalsContact C-N 3.33Å; I343-H345 HydrophobicContact CG2-CB 4.3Å; I343-H345 PolarHBondContact O-N 3.15Å; I343-E346 HydrophobicContact CB-CB 3.76Å; I343-E346 HydrophobicContact CG2-CB 4.12Å; I343-E346 WeakPolarHBondContact O-CB 3.4Å; I343-E346 PolarHBondContact O-N 2.85Å; I343-V347 WeakPolarHBondContact O-CG2 3.26Å; I343-V347 PolarHBondContact O-N 3.02Å | ||
| 344 | P | 81.4 | Confident | 67.3 | Low | 19 Ų | 19 | 85.3 Ų | 85.3 | 12% | 0.123 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -56.2 | -44.6 | -175.1 | -28.1 | 35.9 | 0 | 0 | 0 | 113.9 | E222 L223 A226 L340 V347 V348 | E222-P344 HydrophobicContact CB-CB 3.79Å; L223-P344 HydrophobicContact CG-CG 4.38Å; A226-P344 HydrophobicContact CB-CB 4.19Å; L340-P344 HydrophobicContact CD1-CG 4.4Å; P344-V347 PolarHBondContact O-N 3.14Å; P344-V348 PolarHBondContact O-N 3.35Å; P344-V348 VanDerWaalsContact O-N 3.07Å |
| 345 | H | 84.3 | Confident | 68.9 | Low | 92 Ų | 92 | 85.3 Ų | 85.3 | 43% | 0.426 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 175.9 | -164.7 | 71.7 | 0 | 0 | 0 | 112.3 | E222 I343 V347 V348 E349 | E222-H345 IonicContact OE1-CE1 3.12Å; E222-H345 IonicContact OE1-CG 2.91Å; E222-H345 IonicContact OE1-ND1 2.75Å; E222-H345 PolarHBondContact OE1-ND1 2.87Å; E222-H345 VanDerWaalsContact OE2-CA 3.22Å; E222-H345 WeakPolarHBondContact OE2-CA 3.18Å; E222-H345 VanDerWaalsContact OE2-CB 3.26Å; E222-H345 WeakPolarHBondContact OE2-CB 3.39Å; E222-H345 IonicContact OE2-CG 2.81Å; E222-H345 PolarHBondContact OE2-N 3.37Å; E222-H345 IonicContact OE2-ND1 3.28Å; E222-H345 PolarHBondContact OE2-ND1 2.58Å; I343-H345 VanDerWaalsContact C-N 3.33Å; I343-H345 HydrophobicContact CG2-CB 4.3Å; I343-H345 PolarHBondContact O-N 3.15Å; H345-V347 VanDerWaalsContact C-N 3.28Å; H345-V347 PolarHBondContact O-N 3.26Å; H345-V348 WeakPolarHBondContact O-CB 3.3Å; H345-V348 PolarHBondContact O-N 2.8Å; H345-E349 PolarHBondContact O-N 3.16Å |
| 346 | E | 84.5 | Confident | 69.7 | Low | 101 Ų | 101 | 80.9 Ų | 80.9 | 47% | 0.472 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.9 | -35.9 | 178.2 | -174.5 | -173.6 | -137.2 | 0 | 0 | 111.9 | I343 Q350 | I343-E346 HydrophobicContact CB-CB 3.76Å; I343-E346 HydrophobicContact CG2-CB 4.12Å; I343-E346 WeakPolarHBondContact O-CB 3.4Å; I343-E346 PolarHBondContact O-N 2.85Å; E346-Q350 WeakPolarHBondContact O-CB 3.29Å; E346-Q350 PolarHBondContact O-N 2.91Å |
| 347 | V | 88.6 | Confident | 70.4 | Confident | 1 Ų | 1 | 80.2 Ų | 80.2 | 1% | 0.006 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -70.2 | -38.7 | 174.6 | 178.6 | 0 | 0 | 0 | 0 | 112 | F225 A226 A229 K230 Y342 I343 P344 H345 F351 | F225-V347 HydrophobicContact CD1-CG1 4.45Å; F225-V347 HydrophobicContact CE1-CG1 4.32Å; A226-V347 HydrophobicContact CB-CB 3.88Å; A226-V347 HydrophobicContact CB-CG1 3.98Å; A226-V347 HydrophobicContact CB-CG2 4.24Å; A229-V347 HydrophobicContact CB-CG1 4.01Å; K230-V347 HydrophobicContact CD-CG1 4.47Å; K230-V347 HydrophobicContact CD-CG2 4.37Å; K230-V347 HydrophobicContact CG-CG1 4.16Å; K230-V347 HydrophobicContact CG-CG2 4.18Å; Y342-V347 HydrophobicContact CD2-CG2 3.84Å; Y342-V347 HydrophobicContact CG-CG2 4.1Å; I343-V347 WeakPolarHBondContact O-CG2 3.26Å; I343-V347 PolarHBondContact O-N 3.02Å; P344-V347 PolarHBondContact O-N 3.14Å; H345-V347 VanDerWaalsContact C-N 3.28Å; H345-V347 PolarHBondContact O-N 3.26Å; V347-F351 HydrophobicContact CG1-CD2 4.32Å; V347-F351 HydrophobicContact CG1-CE2 4.45Å; V347-F351 WeakPolarHBondContact O-CD2 3.32Å; V347-F351 PolarHBondContact O-N 3.28Å |
| 348 | V | 90 | Very high | 70.5 | Confident | 1 Ų | 1 | 79.4 Ų | 79.4 | 1% | 0.006 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.3 | -47.8 | 174.5 | 163.5 | 0 | 0 | 0 | 0 | 110.6 | E222 F225 I272 S273 P344 H345 F351 A352 | E222-V348 HydrophobicContact CB-CG2 4.01Å; E222-V348 HydrophobicContact CG-CG2 4.03Å; F225-V348 HydrophobicContact CB-CG2 4.03Å; F225-V348 HydrophobicContact CD1-CB 4.47Å; F225-V348 HydrophobicContact CD1-CG2 3.46Å; F225-V348 VanDerWaalsContact CD1-CG2 3.46Å; F225-V348 HydrophobicContact CE1-CG2 4.2Å; F225-V348 HydrophobicContact CG-CG2 3.92Å; I272-V348 HydrophobicContact CB-CG1 3.98Å; I272-V348 HydrophobicContact CD1-CG2 4.2Å; I272-V348 HydrophobicContact CG2-CG1 3.95Å; I272-V348 HydrophobicContact CG2-CG2 4.23Å; S273-V348 VanDerWaalsContact OG-CG1 3.25Å; S273-V348 WeakPolarHBondContact OG-CG1 3.19Å; P344-V348 PolarHBondContact O-N 3.35Å; P344-V348 VanDerWaalsContact O-N 3.07Å; H345-V348 WeakPolarHBondContact O-CB 3.3Å; H345-V348 PolarHBondContact O-N 2.8Å; V348-F351 PolarHBondContact O-N 2.99Å; V348-A352 VanDerWaalsContact O-CB 3.3Å; V348-A352 WeakPolarHBondContact O-CB 3.4Å; V348-A352 PolarHBondContact O-N 3.4Å |
| 349 | E | 85.6 | Confident | 70.1 | Confident | 116 Ų | 116 | 81.9 Ų | 81.9 | 54% | 0.542 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 178.5 | -167.7 | 176.6 | -136.8 | 0 | 0 | 112 | H345 F351 A352 S353 | H345-E349 PolarHBondContact O-N 3.16Å; E349-F351 VanDerWaalsContact C-N 3.3Å; E349-F351 PolarHBondContact O-N 3.41Å; E349-A352 PolarHBondContact O-N 3.36Å; E349-A352 VanDerWaalsContact O-N 3.17Å; E349-S353 VanDerWaalsContact O-CB 3.28Å; E349-S353 WeakPolarHBondContact O-CB 3.44Å; E349-S353 PolarHBondContact O-N 3.45Å; E349-S353 PolarHBondContact O-OG 3.44Å |
| 350 | Q | 88.6 | Confident | 69.4 | Low | 94 Ų | 94 | 76.7 Ų | 76.7 | 44% | 0.439 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.7 | -37.2 | 174.6 | 175.6 | 169.1 | 92 | 0 | 0 | 112.7 | E346 S353 M354 | E346-Q350 WeakPolarHBondContact O-CB 3.29Å; E346-Q350 PolarHBondContact O-N 2.91Å; Q350-S353 PolarHBondContact O-OG 3.11Å; Q350-M354 WeakPolarHBondContact O-CG 3.45Å |
| 351 | F | 92.3 | Very high | 68.5 | Low | 17 Ų | 17 | 80.2 Ų | 80.2 | 8% | 0.075 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -78.5 | -39.7 | 172.5 | -88 | -104.9 | 0 | 0 | 0 | 112.1 | F225 A229 A240 T244 L265 R266 A269 V347 V348 E349 S353 M354 | F225-F351 HydrophobicContact CE1-CB 4.07Å; F225-F351 HydrophobicContact CE1-CD2 4.15Å; F225-F351 HydrophobicContact CE1-CG 4.06Å; F225-F351 HydrophobicContact CZ-CB 3.93Å; F225-F351 HydrophobicContact CZ-CD1 4.15Å; F225-F351 HydrophobicContact CZ-CD2 4.41Å; F225-F351 AromaticContact CZ-CG 3.91Å; F225-F351 HydrophobicContact CZ-CG 3.91Å; A229-F351 HydrophobicContact CB-CE2 3.98Å; A229-F351 HydrophobicContact CB-CZ 4.14Å; A240-F351 HydrophobicContact CB-CE1 4.31Å; A240-F351 HydrophobicContact CB-CZ 3.93Å; T244-F351 HydrophobicContact CG2-CD1 4.11Å; T244-F351 HydrophobicContact CG2-CE1 3.97Å; L265-F351 HydrophobicContact CB-CD1 4.16Å; L265-F351 HydrophobicContact CB-CE1 4.25Å; L265-F351 HydrophobicContact CD1-CE1 4.23Å; R266-F351 WeakPolarHBondContact CG-O 3.35Å; A269-F351 HydrophobicContact CB-CB 3.5Å; A269-F351 VanDerWaalsContact CB-CB 3.5Å; V347-F351 HydrophobicContact CG1-CD2 4.32Å; V347-F351 HydrophobicContact CG1-CE2 4.45Å; V347-F351 WeakPolarHBondContact O-CD2 3.32Å; V347-F351 PolarHBondContact O-N 3.28Å; V348-F351 PolarHBondContact O-N 2.99Å; E349-F351 VanDerWaalsContact C-N 3.3Å; E349-F351 PolarHBondContact O-N 3.41Å; F351-S353 VanDerWaalsContact C-N 3.34Å; F351-S353 PolarHBondContact O-N 3.14Å; F351-M354 PolarHBondContact O-N 3.32Å |
| 352 | A | 87.4 | Confident | 66.6 | Low | 12 Ų | 12 | 79.2 Ų | 79.2 | 10% | 0.099 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -68 | -31.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A269 R270 S273 V348 E349 | A269-A352 HydrophobicContact CB-CB 4.1Å; R270-A352 HydrophobicContact CG-CB 3.81Å; R270-A352 PolarHBondContact NE-O 2.84Å; R270-A352 PolarHBondContact NH2-O 2.85Å; S273-A352 VanDerWaalsContact OG-CB 3.26Å; S273-A352 WeakPolarHBondContact OG-CB 3.32Å; V348-A352 VanDerWaalsContact O-CB 3.3Å; V348-A352 WeakPolarHBondContact O-CB 3.4Å; V348-A352 PolarHBondContact O-N 3.4Å; E349-A352 PolarHBondContact O-N 3.36Å; E349-A352 VanDerWaalsContact O-N 3.17Å |
| 353 | S | 83.4 | Confident | 64.5 | Low | 85 Ų | 85 | 81.8 Ų | 81.8 | 59% | 0.594 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -15.6 | 178.6 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | E349 Q350 F351 A355 | E349-S353 VanDerWaalsContact O-CB 3.28Å; E349-S353 WeakPolarHBondContact O-CB 3.44Å; E349-S353 PolarHBondContact O-N 3.45Å; E349-S353 PolarHBondContact O-OG 3.44Å; Q350-S353 PolarHBondContact O-OG 3.11Å; F351-S353 VanDerWaalsContact C-N 3.34Å; F351-S353 PolarHBondContact O-N 3.14Å; S353-A355 PolarHBondContact O-N 3.45Å |
| 354 | M | 75.4 | Confident | 61.8 | Low | 71 Ų | 71 | 82.6 Ų | 82.6 | 35% | 0.35 | 48% | 0.483 | S | S | . | . | trans | -53.6 | 134.6 | 178.7 | -84.1 | 176 | 152.4 | 0 | 0 | 112.8 | T244 R266 Q350 F351 | T244-M354 HydrophobicContact CG2-CE 4.42Å; T244-M354 HydrophobicContact CG2-SD 3.49Å; T244-M354 WeakPolarHBondContact CG2-SD 3.33Å; R266-M354 WeakPolarHBondContact CD-O 3.16Å; R266-M354 PolarHBondContact NH1-O 3.06Å; Q350-M354 WeakPolarHBondContact O-CG 3.45Å; F351-M354 PolarHBondContact O-N 3.32Å | ||
| 355 | A | 62.5 | Low | 59.1 | Low | 72 Ų | 72 | 86.4 Ų | 86.4 | 60% | 0.595 | 51% | 0.51 | S | S | * | . | trans | -60.5 | 161.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | H245 R266 S353 L357 | H245-A355 PolarHBondContact CE1-O 3.41Å; R266-A355 PolarHBondContact NH1-O 2.97Å; S353-A355 PolarHBondContact O-N 3.45Å; A355-L357 PolarHBondContact O-N 2.94Å | ||
| 356 | D | 52.8 | Low | 56.2 | Low | 92 Ų | 92 | 88.6 Ų | 88.6 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | trans | -77.7 | 112.5 | 170 | -101.2 | -69.4 | 0 | 0 | 0 | 110 | R266 S358 | R266-D356 IonicContact CZ-OD1 2.72Å; R266-D356 IonicContact CZ-OD2 2.8Å; R266-D356 IonicContact NH1-OD1 3.63Å; R266-D356 IonicContact NH1-OD2 3.94Å; R266-D356 PolarHBondContact NH1-OD2 3.23Å; R266-D356 IonicContact NH2-OD1 2.72Å; R266-D356 PolarHBondContact NH2-OD1 3.18Å; R266-D356 IonicContact NH2-OD2 3.41Å; R266-D356 PolarHBondContact NH2-OD2 3.46Å; D356-S358 PolarHBondContact O-N 2.99Å | ||
| 357 | L | 48.3 | Very low | 53.4 | Low | 125 Ų | 125 | 88.6 Ų | 88.6 | 65% | 0.654 | 52% | 0.523 | S | S | * | . | trans | -76.7 | 46.5 | 170.9 | -62 | -175 | 0 | 0 | 0 | 111.8 | A355 | A355-L357 PolarHBondContact O-N 2.94Š| ||
| 358 | S | 36.7 | Very low | 50.2 | Low | 81 Ų | 81 | 93.2 Ų | 93.2 | 57% | 0.566 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -114.9 | 24.1 | 175.7 | -61.6 | 0 | 0 | 0 | 0 | 112.6 | D356 | D356-S358 PolarHBondContact O-N 2.99Š|
| 359 | D | 26.3 | Very low | 47.2 | Very low | 142 Ų | 142 | 97.2 Ų | 97.2 | 76% | 0.759 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -158.2 | 145 | 153.4 | -91.3 | -41.7 | 0 | 0 | 0 | 109.8 | ||
| 360 | P | 27.7 | Very low | 44.6 | Very low | 113 Ų | 113 | 94.9 Ų | 94.9 | 73% | 0.734 | 56% | 0.562 | S | S | * | * | trans | -92.5 | 135.8 | 178.7 | 34.4 | -31.7 | 0 | 0 | 0 | 112.6 | D362 | P360-D362 PolarHBondContact O-N 2.66Š| ||
| 361 | P | 28.2 | Very low | 41.9 | Very low | 132 Ų | 132 | 91.5 Ų | 91.5 | 86% | 0.857 | 55% | 0.548 | S | S | * | . | trans | -86.6 | 103.4 | 172.5 | 32.6 | -30.8 | 0 | 0 | 0 | 110.9 | ||||
| 362 | D | 26.5 | Very low | 38.7 | Very low | 139 Ų | 139 | 94.7 Ų | 94.7 | 74% | 0.743 | 56% | 0.563 | S | S | * | * | trans | -150.7 | 112.5 | 165.3 | -147.8 | -11 | 0 | 0 | 0 | 114.8 | P360 S364 | P360-D362 PolarHBondContact O-N 2.66Å; D362-S364 PolarHBondContact O-N 2.84Å | ||
| 363 | S | 25.3 | Very low | 35.9 | Very low | 110 Ų | 110 | 96.9 Ų | 96.9 | 77% | 0.769 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 43.3 | 59.8 | 143.5 | -50.6 | 0 | 0 | 0 | 0 | 120.7 | ||
| 364 | S | 22.4 | Very low | 33.5 | Very low | 119 Ų | 119 | 96.3 Ų | 96.3 | 83% | 0.832 | 58% | 0.582 | S | S | * | * | trans | -166.7 | 152.7 | 132.9 | 38.5 | 0 | 0 | 0 | 0 | 112.4 | D362 | D362-S364 PolarHBondContact O-N 2.84Š| ||
| 365 | S | 23.9 | Very low | 31.1 | Very low | 100 Ų | 100 | 98.7 Ų | 98.7 | 70% | 0.699 | 59% | 0.59 | S | S | * | * | trans | -84.5 | 127.2 | 176.9 | 50.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 366 | Q | 23.1 | Very low | 30.2 | Very low | 138 Ų | 138 | 104 Ų | 104 | 65% | 0.645 | 60% | 0.603 | S | S | * | * | trans | 163.7 | 160.4 | 144.4 | -94.5 | 174 | 30 | 0 | 0 | 114.2 | ||||
| 367 | I | 25.4 | Very low | 29.1 | Very low | 101 Ų | 101 | 107 Ų | 107 | 52% | 0.518 | 62% | 0.618 | S | S | . | * | trans | 71.2 | 95.6 | 160.5 | -61 | 144.1 | 0 | 0 | 0 | 117.7 | E369 | I367-E369 HydrophobicContact CG2-CB 3.85Š| ||
| 368 | D | 22.8 | Very low | 28.2 | Very low | 98 Ų | 98 | 105.6 Ų | 105.6 | 52% | 0.524 | 62% | 0.619 | S | S | . | * | trans | -71.9 | 114.3 | 135.9 | 145.4 | 38.3 | 0 | 0 | 0 | 109 | K1463 | D368-K1463 PolarHBondContact O-NZ 2.82Å; D368-K1463 IonicContact OD1-NZ 3.8Å; D368-K1463 PolarHBondContact OD1-NZ 3.27Å; D368-K1463 IonicContact OD2-NZ 3.69Å; D368-K1463 PolarHBondContact OD2-NZ 3.12Å | ||
| 369 | E | 26.9 | Very low | 27.7 | Very low | 84 Ų | 84 | 104.4 Ų | 104.4 | 39% | 0.393 | 62% | 0.62 | S | S | . | * | trans | -139.2 | 95 | 155.1 | -147.1 | -168.9 | 160.7 | 0 | 0 | 114 | I367 R1362 K1463 | I367-E369 HydrophobicContact CG2-CB 3.85Å; E369-R1362 IonicContact OE1-CZ 3.9Å; E369-R1362 VanDerWaalsContact OE1-CZ 3.23Å; E369-R1362 IonicContact OE1-NH1 3.61Å; E369-R1362 PolarHBondContact OE1-NH1 2.96Å; E369-R1362 IonicContact OE1-NH2 2.69Å; E369-R1362 PolarHBondContact OE1-NH2 3.35Å; E369-R1362 IonicContact OE2-NH2 2.7Å; E369-R1362 PolarHBondContact OE2-NH2 2.92Å; E369-K1463 HydrophobicContact CG-CB 4.48Å; E369-K1463 HydrophobicContact CG-CD 3.51Å; E369-K1463 HydrophobicContact CG-CG 4.45Å | ||
| 370 | S | 30 | Very low | 27.9 | Very low | 67 Ų | 67 | 104.6 Ų | 104.6 | 47% | 0.469 | 62% | 0.621 | S | S | . | * | trans | -77.5 | 142.7 | 159.2 | 81 | 0 | 0 | 0 | 0 | 112 | K1463 | S370-K1463 WeakPolarHBondContact O-CG 3.23Š| ||
| 371 | T | 32 | Very low | 28.1 | Very low | 24 Ų | 24 | 106.4 Ų | 106.4 | 15% | 0.147 | 62% | 0.624 | C | S | . | * | -177.1 | 144.4 | 125.3 | 20.8 | 0 | 0 | 0 | 0 | 117.5 | K1460 L1462 K1463 K1464 | T371-K1460 CarbonylContact C-O 3.58Å; T371-K1460 VanDerWaalsContact C-O 3.3Å; T371-K1460 WeakPolarHBondContact O-CB 3.48Å; T371-K1460 WeakPolarHBondContact O-CD 2.96Å; T371-K1460 VanDerWaalsContact O-O 3.05Å; T371-L1462 WeakPolarHBondContact CG2-O 3.32Å; T371-K1463 WeakPolarHBondContact OG1-CA 3.42Å; T371-K1463 PolarHBondContact OG1-N 3.43Å; T371-K1464 HydrophobicContact CG2-CB 4.08Å; T371-K1464 HydrophobicContact CG2-CG 4.3Å | |||
| 372 | E | 26.3 | Very low | 28.2 | Very low | 84 Ų | 84 | 108.3 Ų | 108.3 | 39% | 0.393 | 62% | 0.621 | S | S | . | * | trans | 48.3 | -154.7 | 136.4 | -114.3 | -177.8 | -130.4 | 0 | 0 | 123.2 | R1424 K1460 K1464 | E372-R1424 IonicContact OE2-CZ 3.19Å; E372-R1424 IonicContact OE2-NH1 3.71Å; E372-R1424 PolarHBondContact OE2-NH1 3.01Å; E372-R1424 IonicContact OE2-NH2 2.85Å; E372-K1460 VanDerWaalsContact C-C 3.47Å; E372-K1460 VanDerWaalsContact C-CA 3.45Å; E372-K1460 CarbonylContact C-O 3.54Å; E372-K1460 VanDerWaalsContact CA-O 3.28Å; E372-K1460 WeakPolarHBondContact CA-O 3.33Å; E372-K1460 WeakPolarHBondContact CB-O 3.31Å; E372-K1464 WeakPolarHBondContact OE1-CE 3.29Å; E372-K1464 IonicContact OE1-NZ 3.65Å; E372-K1464 PolarHBondContact OE1-NZ 3.15Å | ||
| 373 | A | 28.8 | Very low | 28.4 | Very low | 57 Ų | 57 | 108.7 Ų | 108.7 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | trans | -140 | 153.9 | -135.2 | 0 | 0 | 0 | 0 | 0 | 120 | K1459 K1460 | A373-K1459 VanDerWaalsContact C-C 3.41Å; A373-K1459 CarbonylContact C-O 3.58Å; A373-K1459 WeakPolarHBondContact CA-O 3.39Å; A373-K1459 CarbonylContact O-C 3.52Å; A373-K1460 VanDerWaalsContact N-C 3.25Å; A373-K1460 VanDerWaalsContact N-CA 3.34Å; A373-K1460 PolarHBondContact N-O 3.34Å | ||
| 374 | A | 31.4 | Very low | 28.8 | Very low | 73 Ų | 73 | 108 Ų | 108 | 60% | 0.603 | 62% | 0.615 | S | S | * | * | trans | 64.7 | 131 | 153.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | K1459 | A374-K1459 PolarHBondContact N-O 2.97Š| ||
| 375 | F | 26.4 | Very low | 29.3 | Very low | 122 Ų | 122 | 112.7 Ų | 112.7 | 54% | 0.535 | 61% | 0.614 | S | S | . | * | -156.5 | 121.1 | 125.4 | -131.1 | -85.9 | 0 | 0 | 0 | 111 | K1457 | F375-K1457 HydrophobicContact CD2-CB 4.24Å; F375-K1457 HydrophobicContact CD2-CD 3.75Å; F375-K1457 HydrophobicContact CE1-CD 4.22Å; F375-K1457 HydrophobicContact CE2-CD 3.29Å; F375-K1457 HydrophobicContact CG-CD 4.39Å; F375-K1457 HydrophobicContact CZ-CD 3.56Å | |||
| 376 | E | 42.5 | Very low | 29.7 | Very low | 182 Ų | 182 | 111.2 Ų | 111.2 | 85% | 0.85 | 61% | 0.608 | S | S | * | * | trans | -109.5 | 159.6 | 165.6 | -75.1 | -173.6 | 141.4 | 0 | 0 | 109.8 | ||||
| 377 | L | 29.5 | Very low | 30 | Very low | 156 Ų | 156 | 111.6 Ų | 111.6 | 82% | 0.817 | 62% | 0.62 | S | S | * | * | trans | 158.9 | 141.9 | 158.1 | -88.7 | -179.7 | 0 | 0 | 0 | 106 | ||||
| 378 | S | 29.2 | Very low | 30.2 | Very low | 95 Ų | 95 | 110.1 Ų | 110.1 | 66% | 0.664 | 63% | 0.629 | S | S | * | * | cis | -178.3 | 157.7 | -15.6 | 47.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 379 | G | 27.5 | Very low | 30.6 | Very low | 57 Ų | 57 | 111.7 Ų | 111.7 | 59% | 0.588 | 64% | 0.643 | S | S | * | * | trans | 117.1 | 105.9 | -174 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 380 | D | 29.1 | Very low | 30.5 | Very low | 146 Ų | 146 | 112.7 Ų | 112.7 | 78% | 0.781 | 66% | 0.659 | S | S | * | * | cis | 77.1 | 124.4 | 46.7 | -43.3 | -19.5 | 0 | 0 | 0 | 109.2 | ||||
| 381 | D | 31.9 | Very low | 30.6 | Very low | 150 Ų | 150 | 117.8 Ų | 117.8 | 80% | 0.802 | 68% | 0.675 | S | S | * | * | cis | -152.4 | -173.5 | 11.9 | -90.5 | -41.9 | 0 | 0 | 0 | 113.1 | ||||
| 382 | E | 30.8 | Very low | 30.5 | Very low | 172 Ų | 172 | 121.4 Ų | 121.4 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | 95.9 | 151.1 | 154 | -82.4 | -59.4 | 147.1 | 0 | 0 | 122.6 | ||||
| 383 | D | 30.4 | Very low | 30.5 | Very low | 148 Ų | 148 | 122.8 Ų | 122.8 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | -139.7 | -165.7 | -137.1 | -150.4 | -30.9 | 0 | 0 | 0 | 114.5 | ||||
| 384 | T | 35.4 | Very low | 30.3 | Very low | 96 Ų | 96 | 124 Ų | 124 | 59% | 0.589 | 73% | 0.725 | S | S | * | * | trans | 102.6 | 98.9 | 150 | -41.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 385 | R | 32.9 | Very low | 30 | Very low | 217 Ų | 217 | 124.2 Ų | 124.2 | 82% | 0.819 | 72% | 0.722 | S | S | * | * | trans | 59.3 | 159.9 | 138.6 | -67.5 | 179.1 | 126.9 | 103 | -4.4 | 122.6 | ||||
| 386 | A | 30.5 | Very low | 29.9 | Very low | 69 Ų | 69 | 124.3 Ų | 124.3 | 57% | 0.57 | 73% | 0.727 | S | S | * | * | cis | -177.5 | 172.2 | -30.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 387 | T | 31.5 | Very low | 29.2 | Very low | 146 Ų | 146 | 120 Ų | 120 | 90% | 0.896 | 72% | 0.722 | S | S | * | * | trans | 63 | 143 | 162.7 | 55.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 388 | G | 29 | Very low | 29 | Very low | 69 Ų | 69 | 117.5 Ų | 117.5 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | cis | -177.6 | 156 | -4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 389 | T | 30.3 | Very low | 29.2 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | -172.7 | 138 | 51.6 | -65.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 390 | S | 25.5 | Very low | 29.6 | Very low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | 59.7 | 142.8 | 163.9 | 76.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 391 | Q | 32.6 | Very low | 29.3 | Very low | 174 Ų | 174 | 122.8 Ų | 122.8 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | cis | -142.8 | 162.2 | 27 | -72.4 | -178.2 | -17.3 | 0 | 0 | 114.3 | ||||
| 392 | S | 29.2 | Very low | 29.2 | Very low | 100 Ų | 100 | 125.6 Ų | 125.6 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | 63.1 | 111.5 | 147 | -60 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 393 | C | 26 | Very low | 29.2 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | 70.6 | 68.5 | 121.8 | -56.2 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 394 | S | 24.6 | Very low | 29.1 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 58% | 0.58 | 75% | 0.747 | S | S | * | * | 57.2 | 102.5 | 112.8 | 69.5 | 0 | 0 | 0 | 0 | 121.8 | R486 | S394-R486 VanDerWaalsContact C-NH1 3.28Å; S394-R486 PolarHBondContact O-NH1 3.35Å | |||
| 395 | S | 24.9 | Very low | 28.6 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 55% | 0.545 | 76% | 0.761 | S | S | . | * | 47.1 | 152 | 128.1 | 25.9 | 0 | 0 | 0 | 0 | 121.6 | R486 | S395-R486 VanDerWaalsContact C-NH1 3.28Å; S395-R486 VanDerWaalsContact O-CZ 3.28Å; S395-R486 PolarHBondContact O-NH1 2.81Å; S395-R486 PolarHBondContact O-NH2 2.74Å; S395-R486 PolarHBondContact OG-NH1 2.89Å | |||
| 396 | I | 25.9 | Very low | 28.3 | Very low | 124 Ų | 124 | 128 Ų | 128 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | cis | -152 | 140.2 | 15.3 | -119 | 148.6 | 0 | 0 | 0 | 108 | ||||
| 397 | A | 26.3 | Very low | 28.5 | Very low | 91 Ų | 91 | 132.3 Ų | 132.3 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | trans | -95.1 | 145.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 398 | S | 26.4 | Very low | 28.4 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -101.1 | 111.9 | 178.9 | -64.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 399 | I | 32.9 | Very low | 28.2 | Very low | 156 Ų | 156 | 134 Ų | 134 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | trans | -124.4 | 131.7 | 174.9 | -76 | -177.6 | 0 | 0 | 0 | 111.8 | ||||
| 400 | S | 35.1 | Very low | 28 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 78% | 0.783 | 72% | 0.724 | S | S | * | * | trans | 37.4 | 108.7 | 156 | -60.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 401 | T | 24.3 | Very low | 28.2 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 87% | 0.865 | 72% | 0.716 | S | S | * | * | trans | -81.8 | 135.6 | 135.1 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 402 | K | 29.2 | Very low | 28.1 | Very low | 208 Ų | 208 | 131 Ų | 131 | 90% | 0.904 | 71% | 0.706 | S | S | * | * | trans | -155.9 | 83.5 | 154.6 | -135.8 | -179.9 | -171.7 | -178.5 | 0 | 113.4 | ||||
| 403 | K | 29.9 | Very low | 28.2 | Very low | 210 Ų | 210 | 131.7 Ų | 131.7 | 91% | 0.913 | 69% | 0.694 | S | S | * | * | trans | -150.7 | 114.5 | 159.6 | -134.3 | 172.3 | -173 | 175 | 0 | 114 | ||||
| 404 | K | 29.6 | Very low | 28.2 | Very low | 178 Ų | 178 | 129.7 Ų | 129.7 | 77% | 0.774 | 68% | 0.68 | S | S | * | * | trans | 0.2 | 126 | 149.4 | -167.7 | 176.6 | -171 | 177.8 | 0 | 118.5 | ||||
| 405 | R | 24.2 | Very low | 28.3 | Very low | 238 Ų | 238 | 127.9 Ų | 127.9 | 90% | 0.898 | 66% | 0.662 | S | S | * | * | -150.8 | 148 | 122 | -132.7 | -176.1 | -162 | -121.8 | 3.9 | 112.2 | |||||
| 406 | G | 25.7 | Very low | 28.5 | Very low | 59 Ų | 59 | 125 Ų | 125 | 61% | 0.608 | 64% | 0.641 | S | S | * | * | trans | -76.5 | 160.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 407 | R | 36.2 | Very low | 28.7 | Very low | 158 Ų | 158 | 121.7 Ų | 121.7 | 60% | 0.596 | 63% | 0.626 | S | S | * | * | trans | -61.8 | 167.4 | 172 | -90.5 | 165.7 | 166 | -109.9 | 17.9 | 112.2 | S1032 | R407-S1032 VanDerWaalsContact CZ-CB 3.46Å; R407-S1032 VanDerWaalsContact CZ-OG 3.25Å; R407-S1032 PolarHBondContact NE-OG 3.22Å; R407-S1032 PolarHBondContact NH1-O 2.75Å; R407-S1032 PolarHBondContact NH2-O 3.23Å; R407-S1032 PolarHBondContact NH2-OG 3.27Å | ||
| 408 | P | 28.2 | Very low | 28.8 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 73% | 0.734 | 60% | 0.599 | S | S | * | * | cis | -113.4 | 179.8 | 19.6 | 10.7 | 15 | 0 | 0 | 0 | 114 | ||||
| 409 | R | 25.8 | Very low | 28.8 | Very low | 139 Ų | 139 | 119.6 Ų | 119.6 | 53% | 0.525 | 59% | 0.589 | S | S | . | * | cis | -139 | -146.7 | 1 | -133.4 | 166.5 | -162.4 | -156.9 | 4 | 110 | T1034 T1036 | R409-T1034 HydrophobicContact CG-CG2 4.2Å; R409-T1036 PolarHBondContact NH1-OG1 3Å | ||
| 410 | R | 26.7 | Very low | 28.6 | Very low | 145 Ų | 145 | 122 Ų | 122 | 55% | 0.547 | 59% | 0.588 | S | S | . | * | trans | -43.8 | 147.5 | -175.6 | -65.3 | 171.2 | 162.3 | 171.3 | -10.7 | 116 | E621 T1034 | R410-E621 IonicContact CZ-OE1 3.86Å; R410-E621 IonicContact CZ-OE2 2.75Å; R410-E621 IonicContact NH1-OE1 3.37Å; R410-E621 PolarHBondContact NH1-OE1 2.78Å; R410-E621 IonicContact NH1-OE2 3.53Å; R410-E621 PolarHBondContact NH1-OE2 2.94Å; R410-E621 IonicContact NH2-OE2 3.85Å; R410-T1034 HydrophobicContact CG-CG2 3.95Å | ||
| 411 | N | 27.8 | Very low | 28.3 | Very low | 107 Ų | 107 | 122 Ų | 122 | 57% | 0.572 | 59% | 0.588 | S | S | * | * | -0.8 | 154.5 | 118.8 | -89.8 | 46.4 | 0 | 0 | 0 | 118.1 | Y413 | N411-Y413 VanDerWaalsContact ND2-CE2 3.29Å; N411-Y413 WeakPolarHBondContact ND2-CE2 3.37Å | |||
| 412 | P | 31.9 | Very low | 28.7 | Very low | 94 Ų | 94 | 120.3 Ų | 120.3 | 61% | 0.61 | 58% | 0.579 | S | S | * | * | cis | -125.4 | 154.2 | 31.2 | 15.8 | 8.5 | 0 | 0 | 0 | 117.6 | ||||
| 413 | Y | 30.2 | Very low | 28.5 | Very low | 114 Ų | 114 | 113.7 Ų | 113.7 | 45% | 0.447 | 56% | 0.559 | S | S | . | * | trans | 8.1 | 144.5 | 144.2 | -46 | -70.5 | 0 | 0 | 0 | 119.7 | N411 E517 P519 | N411-Y413 VanDerWaalsContact ND2-CE2 3.29Å; N411-Y413 WeakPolarHBondContact ND2-CE2 3.37Å; Y413-E517 WeakPolarHBondContact CD1-O 3.46Å; Y413-P519 HydrophobicContact CD1-CG 3.75Å; Y413-P519 HydrophobicContact CD2-CG 3.74Å; Y413-P519 HydrophobicContact CE1-CB 4.1Å; Y413-P519 HydrophobicContact CE1-CG 3.77Å; Y413-P519 HydrophobicContact CE2-CB 4.22Å; Y413-P519 HydrophobicContact CE2-CG 3.76Å; Y413-P519 HydrophobicContact CG-CG 3.72Å | ||
| 414 | P | 27.2 | Very low | 28.6 | Very low | 72 Ų | 72 | 109.6 Ų | 109.6 | 47% | 0.468 | 54% | 0.538 | S | S | . | . | S | Bend | -101.9 | 122.3 | 128.8 | -6.2 | 23.4 | 0 | 0 | 0 | 110.1 | K512 Y518 D527 | P414-K512 PolarHBondContact O-NZ 2.94Å; P414-Y518 WeakPolarHBondContact O-CD1 3.47Å; P414-Y518 WeakPolarHBondContact O-CE1 3.41Å; P414-D527 WeakPolarHBondContact CB-OD1 3.34Å | |
| 415 | E | 25.7 | Very low | 28.6 | Very low | 44 Ų | 44 | 105.6 Ų | 105.6 | 21% | 0.206 | 52% | 0.522 | C | S | . | . | cis | -154.6 | 154.1 | -34.8 | -157 | -142.2 | 95.2 | 0 | 0 | 105.1 | T523 V524 M526 | E415-T523 CarbonylContact O-C 3.4Å; E415-T523 VanDerWaalsContact O-O 3.12Å; E415-T523 WeakPolarHBondContact OE1-CB 3.46Å; E415-T523 WeakPolarHBondContact OE1-CG2 3.49Å; E415-T523 PolarHBondContact OE1-OG1 3.06Å; E415-V524 PolarHBondContact O-N 2.94Å; E415-M526 WeakPolarHBondContact OE2-CE 3.47Å | ||
| 416 | D | 29.1 | Very low | 29.1 | Very low | 19 Ų | 19 | 98.2 Ų | 98.2 | 10% | 0.102 | 51% | 0.505 | C | S | . | . | trans | -165.9 | 160.2 | 169.8 | -83.9 | -51.5 | 0 | 0 | 0 | 116 | Y518 P519 S520 L521 D522 T523 V524 | D416-Y518 WeakPolarHBondContact OD2-CB 3.2Å; D416-P519 HydrophobicContact CB-CG 3.82Å; D416-P519 WeakPolarHBondContact OD2-CD 3.33Å; D416-S520 WeakPolarHBondContact CB-OG 3.4Å; D416-S520 VanDerWaalsContact OD1-C 3.26Å; D416-S520 PolarHBondContact OD2-N 2.66Å; D416-L521 VanDerWaalsContact CG-N 3.33Å; D416-L521 WeakPolarHBondContact OD1-CA 3.47Å; D416-L521 PolarHBondContact OD1-N 2.99Å; D416-D522 PolarHBondContact OD1-N 3.29Å; D416-T523 WeakPolarHBondContact CA-OG1 3.47Å; D416-T523 PolarHBondContact N-OG1 3.02Å; D416-V524 WeakPolarHBondContact OD1-CA 3.5Å; D416-V524 VanDerWaalsContact OD1-CB 3.27Å; D416-V524 WeakPolarHBondContact OD1-CB 3.44Å; D416-V524 WeakPolarHBondContact OD1-CG2 3.33Å; D416-V524 PolarHBondContact OD1-N 3.21Å; D416-V524 WeakPolarHBondContact OD2-CG2 3.3Å | ||
| 417 | T | 29.7 | Very low | 29.1 | Very low | 53 Ų | 53 | 102.7 Ų | 102.7 | 33% | 0.325 | 51% | 0.514 | S | S | . | . | trans | -144.4 | -162.4 | 150.1 | 75.7 | 0 | 0 | 0 | 0 | 108.3 | K419 S520 L521 D522 | T417-K419 WeakPolarHBondContact OG1-CG 3.45Å; T417-K419 PolarHBondContact OG1-N 3.05Å; T417-S520 WeakPolarHBondContact CA-OG 3.27Å; T417-S520 PolarHBondContact N-OG 3.18Å; T417-S520 WeakPolarHBondContact O-CB 3.43Å; T417-S520 PolarHBondContact O-OG 2.7Å; T417-L521 CarbonylContact O-C 2.91Å; T417-L521 WeakPolarHBondContact O-CA 3.38Å; T417-L521 PolarHBondContact O-N 3.36Å; T417-D522 VanDerWaalsContact O-CB 3.3Å; T417-D522 WeakPolarHBondContact O-CB 3.47Å; T417-D522 PolarHBondContact O-N 3.4Å; T417-D522 WeakPolarHBondContact OG1-CB 3.43Å; T417-D522 PolarHBondContact OG1-OD2 2.85Å | ||
| 418 | I | 28.4 | Very low | 28.7 | Very low | 33 Ų | 33 | 100.2 Ų | 100.2 | 17% | 0.169 | 52% | 0.521 | C | S | . | . | trans | -120.1 | 102.3 | 141.3 | -88.6 | -165.5 | 0 | 0 | 0 | 107.1 | R420 L521 K564 E567 | I418-R420 PolarHBondContact O-N 2.9Å; I418-L521 HydrophobicContact CD1-CB 3.69Å; I418-L521 HydrophobicContact CD1-CD2 4.36Å; I418-L521 HydrophobicContact CG1-CB 3.7Å; I418-K564 HydrophobicContact CB-CG 4.1Å; I418-K564 HydrophobicContact CD1-CB 4.39Å; I418-K564 HydrophobicContact CD1-CG 3.95Å; I418-K564 HydrophobicContact CG1-CG 3.85Å; I418-K564 HydrophobicContact CG2-CB 3.7Å; I418-K564 HydrophobicContact CG2-CD 4.27Å; I418-K564 HydrophobicContact CG2-CG 3.6Å; I418-E567 HydrophobicContact CD1-CB 3.9Å; I418-E567 VanDerWaalsContact CD1-CD 3.43Å; I418-E567 HydrophobicContact CD1-CG 4.27Å; I418-E567 WeakPolarHBondContact CD1-OE2 3.2Å | ||
| 419 | K | 28.1 | Very low | 28.9 | Very low | 118 Ų | 118 | 100.4 Ų | 100.4 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | trans | -76.8 | 88.3 | -176.6 | -99.4 | -173.1 | -157.8 | 96.4 | 0 | 112.8 | T417 D522 | T417-K419 WeakPolarHBondContact OG1-CG 3.45Å; T417-K419 PolarHBondContact OG1-N 3.05Å; K419-D522 WeakPolarHBondContact CB-OD1 3.46Å; K419-D522 WeakPolarHBondContact CD-OD2 3.27Å; K419-D522 WeakPolarHBondContact CE-OD2 3.45Å; K419-D522 WeakPolarHBondContact CG-OD2 3.44Å; K419-D522 IonicContact NZ-OD2 3.77Å; K419-D522 PolarHBondContact NZ-OD2 2.72Å | ||
| 420 | R | 28.6 | Very low | 28.8 | Very low | 207 Ų | 207 | 98 Ų | 98 | 78% | 0.781 | 53% | 0.532 | S | S | * | . | -175.7 | 145.2 | 128.6 | -96.3 | 163.7 | -165.8 | -139.3 | 4.8 | 106.8 | I418 | I418-R420 PolarHBondContact O-N 2.9Š| |||
| 421 | S | 28.4 | Very low | 28.8 | Very low | 113 Ų | 113 | 96.3 Ų | 96.3 | 79% | 0.79 | 54% | 0.543 | S | S | * | . | cis | -128.1 | 154.5 | 28.8 | -65.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 422 | P | 32 | Very low | 29 | Very low | 105 Ų | 105 | 99 Ų | 99 | 68% | 0.682 | 56% | 0.555 | S | S | * | * | trans | -90.3 | 146.2 | -173.2 | 34.4 | -34.9 | 0 | 0 | 0 | 114.9 | ||||
| 423 | S | 26.4 | Very low | 29.1 | Very low | 69 Ų | 69 | 99.7 Ų | 99.7 | 48% | 0.483 | 56% | 0.559 | S | S | . | * | trans | 79.6 | 142.9 | 153.4 | 91 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 424 | R | 30.8 | Very low | 29.1 | Very low | 123 Ų | 123 | 97.7 Ų | 97.7 | 46% | 0.464 | 56% | 0.562 | S | S | . | * | cis | -176.5 | -177.1 | -5.1 | 173 | 174.2 | 175.6 | -157.8 | 6.9 | 106.8 | R612 Y732 | R424-R612 HydrophobicContact CB-CG 4.21Å; R424-R612 VanDerWaalsContact O-CD 3.31Å; R424-R612 WeakPolarHBondContact O-CD 3.39Å; R424-Y732 PolarHBondContact NH2-OH 3.28Å | ||
| 425 | E | 29 | Very low | 29.2 | Very low | 95 Ų | 95 | 100.4 Ų | 100.4 | 44% | 0.444 | 57% | 0.569 | S | S | . | * | trans | -85.7 | -145.9 | -153.6 | -56.3 | -177.1 | 98.1 | 0 | 0 | 118.3 | R612 N615 | E425-R612 PolarHBondContact O-NH1 3.04Å; E425-N615 WeakPolarHBondContact CA-OD1 3.31Å | ||
| 426 | P | 36.3 | Very low | 29.2 | Very low | 83 Ų | 83 | 103.9 Ų | 103.9 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | -124.4 | -173.6 | -91.1 | 35.2 | -17.9 | 0 | 0 | 0 | 115.9 | |||||
| 427 | L | 25.5 | Very low | 29.3 | Very low | 153 Ų | 153 | 107.2 Ų | 107.2 | 80% | 0.801 | 61% | 0.606 | S | S | * | * | trans | 84.7 | 102.9 | 160.9 | -58.1 | 172.6 | 0 | 0 | 0 | 120 | ||||
| 428 | S | 27.1 | Very low | 29.2 | Very low | 105 Ų | 105 | 110.9 Ų | 110.9 | 73% | 0.734 | 63% | 0.628 | S | S | * | * | 51.2 | 152.4 | 117.9 | -54.3 | 0 | 0 | 0 | 0 | 123 | |||||
| 429 | P | 31.6 | Very low | 29.2 | Very low | 117 Ų | 117 | 114.1 Ų | 114.1 | 76% | 0.76 | 65% | 0.654 | S | S | * | * | cis | -143.2 | 179 | -31.8 | 41 | -23.1 | 0 | 0 | 0 | 116 | ||||
| 430 | A | 25.6 | Very low | 29.2 | Very low | 88 Ų | 88 | 112.5 Ų | 112.5 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | trans | 77.7 | 114.4 | 142.7 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 431 | S | 25.2 | Very low | 29.2 | Very low | 111 Ų | 111 | 109.7 Ų | 109.7 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | 113.2 | 89.6 | 126.3 | -63 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 432 | I | 31.7 | Very low | 29.1 | Very low | 162 Ų | 162 | 107.9 Ų | 107.9 | 83% | 0.831 | 67% | 0.667 | S | S | * | * | -7.5 | 165.4 | 121.4 | 35.9 | 169.1 | 0 | 0 | 0 | 119.4 | |||||
| 433 | P | 34 | Very low | 28.8 | Very low | 109 Ų | 109 | 111.3 Ų | 111.3 | 71% | 0.708 | 68% | 0.675 | S | S | * | * | cis | -158.8 | 179.5 | 37.9 | 48.1 | -27 | 0 | 0 | 0 | 122.3 | ||||
| 434 | S | 30.1 | Very low | 28.8 | Very low | 72 Ų | 72 | 115.8 Ų | 115.8 | 50% | 0.503 | 69% | 0.692 | S | S | . | * | trans | 75.6 | 146.8 | 136.7 | -162.2 | 0 | 0 | 0 | 0 | 122.2 | S2016 | S434-S2016 PolarHBondContact OG-O 2.87Š| ||
| 435 | Q | 29.8 | Very low | 28.5 | Very low | 130 Ų | 130 | 113.8 Ų | 113.8 | 61% | 0.607 | 71% | 0.71 | S | S | * | * | cis | -166.6 | 168.6 | -19 | -100.6 | 169.3 | 23.8 | 0 | 0 | 107.8 | ||||
| 436 | Y | 26.8 | Very low | 28.3 | Very low | 117 Ų | 117 | 113.4 Ų | 113.4 | 46% | 0.459 | 73% | 0.731 | S | S | . | * | -173.5 | 145 | 79.5 | -113.8 | -91.3 | 0 | 0 | 0 | 115.2 | S2016 S2017 | Y436-S2016 WeakPolarHBondContact CE2-OG 3.37Å; Y436-S2016 WeakPolarHBondContact OH-CB 3.43Å; Y436-S2016 PolarHBondContact OH-OG 3.32Å; Y436-S2017 PolarHBondContact OH-OG 3.43Å | |||
| 437 | S | 30 | Very low | 27.9 | Very low | 89 Ų | 89 | 115.5 Ų | 115.5 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | trans | 16.3 | 151.5 | 148.7 | -59.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 438 | T | 28.3 | Very low | 28.1 | Very low | 129 Ų | 129 | 115.6 Ų | 115.6 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | cis | -172.2 | 179.6 | 8.8 | 12.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 439 | S | 27.8 | Very low | 28.3 | Very low | 102 Ų | 102 | 117.5 Ų | 117.5 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | cis | -173.2 | 168.2 | -5 | 41.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 440 | A | 29.5 | Very low | 28.5 | Very low | 84 Ų | 84 | 117.1 Ų | 117.1 | 69% | 0.694 | 74% | 0.743 | S | S | * | * | trans | 73.9 | 162.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 441 | T | 27.5 | Very low | 28.6 | Very low | 147 Ų | 147 | 122 Ų | 122 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | cis | -166.1 | 155.8 | -21.3 | 13.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 442 | G | 26.9 | Very low | 29 | Very low | 75 Ų | 75 | 120.5 Ų | 120.5 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | 143.4 | 99.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 443 | E | 25.7 | Very low | 29 | Very low | 178 Ų | 178 | 117.9 Ų | 117.9 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | trans | 27.4 | 140.7 | 153.8 | -59.6 | -156.2 | 131.5 | 0 | 0 | 127 | ||||
| 444 | L | 25.3 | Very low | 29.3 | Very low | 163 Ų | 163 | 116.4 Ų | 116.4 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | trans | 67.5 | 121.7 | 142.3 | -68.8 | 165.2 | 0 | 0 | 0 | 124.3 | ||||
| 445 | G | 24.9 | Very low | 30.7 | Very low | 81 Ų | 81 | 116.7 Ų | 116.7 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | trans | 114.3 | 142.5 | 134.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 446 | G | 25.3 | Very low | 32.4 | Very low | 86 Ų | 86 | 116.6 Ų | 116.6 | 89% | 0.887 | 73% | 0.727 | S | S | * | * | trans | 104.5 | 113.6 | 140.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 447 | T | 28.3 | Very low | 34.4 | Very low | 127 Ų | 127 | 112.9 Ų | 112.9 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | trans | -72.7 | 153 | 177.5 | 48.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 448 | N | 28.7 | Very low | 36.5 | Very low | 155 Ų | 155 | 112.2 Ų | 112.2 | 83% | 0.829 | 71% | 0.708 | S | S | * | * | trans | 79.5 | 158.9 | 140 | -75.3 | -32.1 | 0 | 0 | 0 | 124.6 | ||||
| 449 | L | 32.5 | Very low | 39.2 | Very low | 146 Ų | 146 | 109.5 Ų | 109.5 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | trans | -49.6 | 165.4 | 173.8 | -83.9 | 150.5 | 0 | 0 | 0 | 115.8 | ||||
| 450 | P | 34.3 | Very low | 41.8 | Very low | 109 Ų | 109 | 113.6 Ų | 113.6 | 71% | 0.708 | 68% | 0.683 | S | S | * | * | cis | -155.1 | 170.8 | 47.2 | 42.8 | -20.7 | 0 | 0 | 0 | 121.3 | S452 | P450-S452 VanDerWaalsContact C-N 3.28Å; P450-S452 PolarHBondContact O-N 2.75Å; P450-S452 VanDerWaalsContact O-N 3.07Å | ||
| 451 | H | 28.7 | Very low | 44.5 | Very low | 191 Ų | 191 | 110.3 Ų | 110.3 | 88% | 0.884 | 65% | 0.653 | S | S | * | * | trans | -77.7 | 31 | 178.8 | -109.2 | -82.1 | 0 | 0 | 0 | 116.2 | ||||
| 452 | S | 33.3 | Very low | 47.6 | Very low | 78 Ų | 78 | 103.4 Ų | 103.4 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | trans | -77.5 | -30.5 | -165.7 | -171 | 0 | 0 | 0 | 0 | 115.9 | P450 | P450-S452 VanDerWaalsContact C-N 3.28Å; P450-S452 PolarHBondContact O-N 2.75Å; P450-S452 VanDerWaalsContact O-N 3.07Å | ||
| 453 | C | 31.6 | Very low | 50.6 | Low | 107 Ų | 107 | 103 Ų | 103 | 72% | 0.723 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -74.8 | -39.4 | -156.1 | -152.8 | 0 | 0 | 0 | 0 | 115.7 | S455 R456 | C453-S455 PolarHBondContact O-N 3.1Å; C453-R456 PolarHBondContact O-N 3.16Å |
| 454 | A | 40.2 | Very low | 53.7 | Low | 79 Ų | 79 | 100.2 Ų | 100.2 | 65% | 0.653 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -38.2 | -164.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R456 A457 | A454-R456 PolarHBondContact O-N 3.36Å; A454-A457 WeakPolarHBondContact O-CB 3.42Å; A454-A457 PolarHBondContact O-N 3.36Å |
| 455 | S | 58.6 | Low | 56.9 | Low | 77 Ų | 77 | 92.4 Ų | 92.4 | 54% | 0.538 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -27.2 | -176.9 | -174.5 | 0 | 0 | 0 | 0 | 113.3 | C453 A457 | C453-S455 PolarHBondContact O-N 3.1Å; S455-A457 PolarHBondContact O-N 3.38Å |
| 456 | R | 67 | Low | 60.2 | Low | 128 Ų | 128 | 89 Ų | 89 | 48% | 0.483 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.3 | -18.2 | 175 | -63.1 | -173.5 | -177.9 | -166.1 | 2.3 | 112.6 | E98 C453 A454 R460 | E98-R456 IonicContact OE1-CZ 3.92Å; E98-R456 VanDerWaalsContact OE1-CZ 3.23Å; E98-R456 IonicContact OE1-NH1 2.68Å; E98-R456 PolarHBondContact OE1-NH1 2.97Å; E98-R456 IonicContact OE1-NH2 2.99Å; E98-R456 PolarHBondContact OE1-NH2 3.41Å; E98-R456 IonicContact OE2-NH1 3.13Å; C453-R456 PolarHBondContact O-N 3.16Å; A454-R456 PolarHBondContact O-N 3.36Å; R456-R460 WeakPolarHBondContact O-CG 3.45Å |
| 457 | A | 68.3 | Low | 63.3 | Low | 39 Ų | 39 | 86.8 Ų | 86.8 | 32% | 0.322 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -83.2 | -53.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A454 S455 R459 R460 L461 | A454-A457 WeakPolarHBondContact O-CB 3.42Å; A454-A457 PolarHBondContact O-N 3.36Å; S455-A457 PolarHBondContact O-N 3.38Å; A457-R459 VanDerWaalsContact C-N 3.29Å; A457-R459 PolarHBondContact O-N 3.29Å; A457-R460 WeakPolarHBondContact O-CB 3.43Å; A457-R460 PolarHBondContact O-N 3.36Å; A457-L461 PolarHBondContact O-N 3.23Å |
| 458 | H | 73.8 | Confident | 66.3 | Low | 76 Ų | 76 | 82.9 Ų | 82.9 | 35% | 0.352 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -51.6 | -46.9 | 177.4 | -84.1 | -9.6 | 0 | 0 | 0 | 111.8 | R460 L461 Q462 P519 E567 | H458-R460 VanDerWaalsContact C-N 3.29Å; H458-R460 PolarHBondContact O-N 3.46Å; H458-L461 WeakPolarHBondContact O-CB 3.39Å; H458-L461 PolarHBondContact O-N 3.11Å; H458-Q462 PolarHBondContact O-N 2.92Å; H458-P519 PolarHBondContact CD2-O 2.71Å; H458-E567 IonicContact CE1-OE1 2.83Å; H458-E567 PolarHBondContact CE1-OE1 2.84Å; H458-E567 VanDerWaalsContact CE1-OE1 3.22Å; H458-E567 IonicContact CE1-OE2 3.38Å; H458-E567 PolarHBondContact CE1-OE2 3.46Å; H458-E567 IonicContact CG-OE1 3.34Å; H458-E567 VanDerWaalsContact ND1-CD 3.3Å; H458-E567 IonicContact ND1-OE1 2.71Å; H458-E567 PolarHBondContact ND1-OE1 3.27Å; H458-E567 IonicContact ND1-OE2 3.51Å |
| 459 | R | 84.8 | Confident | 69.3 | Low | 71 Ų | 71 | 75.6 Ų | 75.6 | 27% | 0.268 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.5 | -37.1 | 179.4 | 179 | 177.2 | 154 | -131.1 | -17.4 | 112.6 | A457 L461 Q462 E463 I513 Y516 | A457-R459 VanDerWaalsContact C-N 3.29Å; A457-R459 PolarHBondContact O-N 3.29Å; R459-L461 VanDerWaalsContact C-N 3.28Å; R459-L461 PolarHBondContact O-N 2.65Å; R459-Q462 PolarHBondContact O-N 2.84Å; R459-E463 HydrophobicContact CG-CG 4.25Å; R459-E463 IonicContact CZ-OE1 3.23Å; R459-E463 IonicContact CZ-OE2 3.19Å; R459-E463 IonicContact NE-OE1 2.69Å; R459-E463 PolarHBondContact NE-OE1 3.02Å; R459-E463 IonicContact NE-OE2 2.69Å; R459-E463 IonicContact NH2-OE1 2.93Å; R459-E463 PolarHBondContact NH2-OE1 3.25Å; R459-E463 IonicContact NH2-OE2 3.87Å; R459-E463 PolarHBondContact NH2-OE2 3.34Å; R459-E463 WeakPolarHBondContact O-CB 3.26Å; R459-E463 WeakPolarHBondContact O-CG 3.21Å; R459-E463 PolarHBondContact O-N 2.94Å; R459-I513 HydrophobicContact CG-CG2 4.21Å; R459-Y516 HydrophobicContact CB-CD1 4.36Å; R459-Y516 HydrophobicContact CB-CE1 3.94Å; R459-Y516 HydrophobicContact CG-CE1 4.19Å; R459-Y516 PolarHBondContact NH1-OH 2.98Å |
| 460 | R | 82.9 | Confident | 72.2 | Confident | 189 Ų | 189 | 69 Ų | 69 | 71% | 0.713 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63 | -35.6 | 176.2 | -77 | 177.6 | 172.1 | -174.2 | -1.8 | 111.6 | R456 A457 H458 K464 | R456-R460 WeakPolarHBondContact O-CG 3.45Å; A457-R460 WeakPolarHBondContact O-CB 3.43Å; A457-R460 PolarHBondContact O-N 3.36Å; H458-R460 VanDerWaalsContact C-N 3.29Å; H458-R460 PolarHBondContact O-N 3.46Å; R460-K464 VanDerWaalsContact O-CB 3.31Å; R460-K464 WeakPolarHBondContact O-CB 3.43Å; R460-K464 PolarHBondContact O-N 2.94Å |
| 461 | L | 86.2 | Confident | 74.8 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -73.2 | -41.8 | 177.4 | -65.4 | 165.5 | 0 | 0 | 0 | 111.4 | A457 H458 R459 K464 L465 L521 L563 E567 | A457-L461 PolarHBondContact O-N 3.23Å; H458-L461 WeakPolarHBondContact O-CB 3.39Å; H458-L461 PolarHBondContact O-N 3.11Å; R459-L461 VanDerWaalsContact C-N 3.28Å; R459-L461 PolarHBondContact O-N 2.65Å; L461-K464 PolarHBondContact O-N 3.06Å; L461-K464 VanDerWaalsContact O-N 3.16Å; L461-L465 PolarHBondContact O-N 2.77Å; L461-L521 HydrophobicContact CB-CD1 4.36Å; L461-L563 HydrophobicContact CD2-CD2 3.85Å; L461-E567 HydrophobicContact CD1-CB 3.74Å; L461-E567 HydrophobicContact CD1-CG 3.8Å; L461-E567 WeakPolarHBondContact CD1-OE1 3.1Å |
| 462 | Q | 91.7 | Very high | 77.5 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 1% | 0.014 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.1 | -47.2 | 171.9 | -69.5 | 170.6 | -13.4 | 0 | 0 | 112.4 | H458 R459 K464 L465 L466 I513 Y518 S520 L521 | H458-Q462 PolarHBondContact O-N 2.92Å; R459-Q462 PolarHBondContact O-N 2.84Å; Q462-K464 VanDerWaalsContact C-N 3.29Å; Q462-K464 PolarHBondContact O-N 3.21Å; Q462-L465 PolarHBondContact O-N 2.63Å; Q462-L466 PolarHBondContact O-N 2.78Å; Q462-L466 VanDerWaalsContact O-N 3.17Å; Q462-I513 HydrophobicContact CB-CD1 4.35Å; Q462-I513 HydrophobicContact CB-CG2 3.98Å; Q462-Y518 PolarHBondContact NE2-O 2.8Å; Q462-S520 WeakPolarHBondContact CG-O 3.11Å; Q462-S520 PolarHBondContact NE2-O 2.73Å; Q462-L521 VanDerWaalsContact CA-CD1 3.49Å; Q462-L521 HydrophobicContact CB-CD1 4.32Å; Q462-L521 HydrophobicContact CG-CD1 3.97Å |
| 463 | E | 91.2 | Very high | 80.1 | Confident | 65 Ų | 65 | 60.3 Ų | 60.3 | 30% | 0.304 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.5 | -37 | 175.9 | -71.4 | -178.5 | 158.2 | 0 | 0 | 111.2 | R459 Q467 I513 | R459-E463 HydrophobicContact CG-CG 4.25Å; R459-E463 IonicContact CZ-OE1 3.23Å; R459-E463 IonicContact CZ-OE2 3.19Å; R459-E463 IonicContact NE-OE1 2.69Å; R459-E463 PolarHBondContact NE-OE1 3.02Å; R459-E463 IonicContact NE-OE2 2.69Å; R459-E463 IonicContact NH2-OE1 2.93Å; R459-E463 PolarHBondContact NH2-OE1 3.25Å; R459-E463 IonicContact NH2-OE2 3.87Å; R459-E463 PolarHBondContact NH2-OE2 3.34Å; R459-E463 WeakPolarHBondContact O-CB 3.26Å; R459-E463 WeakPolarHBondContact O-CG 3.21Å; R459-E463 PolarHBondContact O-N 2.94Å; E463-Q467 VanDerWaalsContact O-CB 3.24Å; E463-Q467 WeakPolarHBondContact O-CB 3.33Å; E463-Q467 PolarHBondContact O-N 3.37Å; E463-I513 HydrophobicContact CG-CG2 3.65Å |
| 464 | K | 89.7 | Confident | 82.6 | Confident | 120 Ų | 120 | 57.2 Ų | 57.2 | 52% | 0.522 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.9 | -33.5 | 178.1 | -156.3 | 170.1 | -174.2 | -173.7 | 0 | 113.4 | R460 L461 Q462 V468 L563 | R460-K464 VanDerWaalsContact O-CB 3.31Å; R460-K464 WeakPolarHBondContact O-CB 3.43Å; R460-K464 PolarHBondContact O-N 2.94Å; L461-K464 PolarHBondContact O-N 3.06Å; L461-K464 VanDerWaalsContact O-N 3.16Å; Q462-K464 VanDerWaalsContact C-N 3.29Å; Q462-K464 PolarHBondContact O-N 3.21Å; K464-V468 PolarHBondContact O-N 3.43Å; K464-L563 HydrophobicContact CB-CD1 4.41Å; K464-L563 HydrophobicContact CB-CD2 4.32Å; K464-L563 HydrophobicContact CD-CD2 3.94Å; K464-L563 HydrophobicContact CG-CD2 4.23Å |
| 465 | L | 92.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.9 | -53.2 | 172.4 | 176.2 | 56.8 | 0 | 0 | 0 | 111.2 | L461 Q462 Q467 V468 V469 L521 V524 A556 K559 C560 L563 | L461-L465 PolarHBondContact O-N 2.77Å; Q462-L465 PolarHBondContact O-N 2.63Å; L465-Q467 PolarHBondContact O-N 3.07Å; L465-V468 PolarHBondContact O-N 2.9Å; L465-V469 PolarHBondContact O-N 3.03Å; L465-L521 HydrophobicContact CB-CD1 3.95Å; L465-L521 HydrophobicContact CD2-CD1 3.91Å; L465-L521 HydrophobicContact CD2-CD2 4.13Å; L465-L521 HydrophobicContact CD2-CG 3.83Å; L465-V524 HydrophobicContact CD2-CG1 3.84Å; L465-A556 WeakPolarHBondContact CD1-O 3.1Å; L465-K559 HydrophobicContact CD1-CB 4.01Å; L465-K559 HydrophobicContact CD1-CG 4.41Å; L465-C560 HydrophobicContact CD1-CB 4.06Å; L465-C560 HydrophobicContact CD2-CB 4.14Å; L465-L563 HydrophobicContact CB-CD1 3.68Å; L465-L563 HydrophobicContact CD1-CD1 4.47Å |
| 466 | L | 93.5 | Very high | 85.2 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.1 | -30 | 179.9 | -178.2 | 62.9 | 0 | 0 | 0 | 112.1 | Q462 V469 L470 I509 K510 I513 L528 | Q462-L466 PolarHBondContact O-N 2.78Å; Q462-L466 VanDerWaalsContact O-N 3.17Å; L466-V469 PolarHBondContact O-N 2.99Å; L466-L470 HydrophobicContact CG-CD1 4.21Å; L466-L470 WeakPolarHBondContact O-CD1 3.39Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.39Å; L466-L470 PolarHBondContact O-N 2.83Å; L466-I509 HydrophobicContact CD1-CG2 4.11Å; L466-I509 HydrophobicContact CD2-CG2 4.24Å; L466-K510 HydrophobicContact CD2-CB 3.78Å; L466-K510 HydrophobicContact CD2-CD 4.4Å; L466-K510 HydrophobicContact CD2-CG 4.05Å; L466-I513 HydrophobicContact CB-CD1 3.81Å; L466-I513 HydrophobicContact CD2-CD1 3.6Å; L466-I513 HydrophobicContact CG-CD1 4.33Å; L466-L528 HydrophobicContact CD1-CD2 4.11Å |
| 467 | Q | 91.1 | Very high | 85.7 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 179.2 | -166.3 | 56.1 | 52.2 | 0 | 0 | 112.3 | R71 E463 L465 V469 L470 D471 | R71-Q467 VanDerWaalsContact CD-NE2 3.28Å; E463-Q467 VanDerWaalsContact O-CB 3.24Å; E463-Q467 WeakPolarHBondContact O-CB 3.33Å; E463-Q467 PolarHBondContact O-N 3.37Å; L465-Q467 PolarHBondContact O-N 3.07Å; Q467-V469 VanDerWaalsContact C-N 3.31Å; Q467-V469 PolarHBondContact O-N 2.97Å; Q467-L470 WeakPolarHBondContact O-CB 3.41Å; Q467-L470 PolarHBondContact O-N 3.08Å; Q467-D471 WeakPolarHBondContact CG-OD2 3.4Å; Q467-D471 PolarHBondContact NE2-OD1 3Å; Q467-D471 PolarHBondContact NE2-OD2 3.1Å; Q467-D471 VanDerWaalsContact O-CG 3.3Å; Q467-D471 PolarHBondContact O-N 3.02Å |
| 468 | V | 91.5 | Very high | 86.1 | Confident | 46 Ų | 46 | 63.9 Ų | 63.9 | 28% | 0.279 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67 | -31.2 | 176.8 | 171.1 | 0 | 0 | 0 | 0 | 112.7 | K464 L465 L470 A472 I555 K559 | K464-V468 PolarHBondContact O-N 3.43Å; L465-V468 PolarHBondContact O-N 2.9Å; V468-L470 PolarHBondContact O-N 3.44Å; V468-A472 PolarHBondContact O-N 3.01Å; V468-I555 HydrophobicContact CG1-CG2 3.78Å; V468-K559 HydrophobicContact CB-CB 4.49Å; V468-K559 HydrophobicContact CB-CD 4.32Å; V468-K559 HydrophobicContact CB-CG 3.94Å; V468-K559 HydrophobicContact CG1-CB 4.15Å; V468-K559 HydrophobicContact CG1-CD 4.06Å; V468-K559 HydrophobicContact CG1-CG 3.95Å; V468-K559 HydrophobicContact CG2-CD 3.9Å; V468-K559 HydrophobicContact CG2-CG 3.9Å |
| 469 | V | 92.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.2 | -24.7 | 172.2 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | L465 L466 Q467 S481 L506 L528 F532 L552 A556 | L465-V469 PolarHBondContact O-N 3.03Å; L466-V469 PolarHBondContact O-N 2.99Å; Q467-V469 VanDerWaalsContact C-N 3.31Å; Q467-V469 PolarHBondContact O-N 2.97Å; V469-S481 WeakPolarHBondContact O-CB 3.47Å; V469-L506 HydrophobicContact CG1-CD1 4.44Å; V469-L506 HydrophobicContact CG1-CD2 4.36Å; V469-L528 HydrophobicContact CG1-CD2 4.24Å; V469-L528 HydrophobicContact CG2-CD1 4.21Å; V469-F532 HydrophobicContact CG1-CZ 3.85Å; V469-L552 HydrophobicContact CG1-CD2 4.35Å; V469-L552 WeakPolarHBondContact O-CD2 3.24Å; V469-A556 HydrophobicContact CG2-CB 3.65Å |
| 470 | L | 92.3 | Very high | 86.8 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -87.9 | -36 | 179.4 | -67.3 | 166.5 | 0 | 0 | 0 | 113 | R72 L466 Q467 V468 A472 S481 F485 L506 | R72-L470 HydrophobicContact CG-CD1 4.09Å; R72-L470 HydrophobicContact CG-CD2 4.29Å; R72-L470 VanDerWaalsContact CZ-CD2 3.4Å; L466-L470 HydrophobicContact CG-CD1 4.21Å; L466-L470 WeakPolarHBondContact O-CD1 3.39Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.39Å; L466-L470 PolarHBondContact O-N 2.83Å; Q467-L470 WeakPolarHBondContact O-CB 3.41Å; Q467-L470 PolarHBondContact O-N 3.08Å; V468-L470 PolarHBondContact O-N 3.44Å; L470-A472 PolarHBondContact O-N 3.17Å; L470-S481 PolarHBondContact O-OG 3.08Å; L470-F485 HydrophobicContact CD2-CD2 4.19Å; L470-F485 HydrophobicContact CD2-CE2 3.67Å; L470-L506 HydrophobicContact CD2-CD1 4.21Å |
| 471 | D | 88.4 | Confident | 87.2 | Confident | 84 Ų | 84 | 50.3 Ų | 50.3 | 45% | 0.449 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -86.6 | 9.7 | -178.6 | -57.3 | -14.6 | 0 | 0 | 0 | 112.1 | R71 Q467 | R71-D471 IonicContact NH1-OD1 2.7Å; R71-D471 IonicContact NH1-OD2 2.63Å; R71-D471 PolarHBondContact NH1-OD2 3.46Å; Q467-D471 WeakPolarHBondContact CG-OD2 3.4Å; Q467-D471 PolarHBondContact NE2-OD1 3Å; Q467-D471 PolarHBondContact NE2-OD2 3.1Å; Q467-D471 VanDerWaalsContact O-CG 3.3Å; Q467-D471 PolarHBondContact O-N 3.02Å |
| 472 | A | 86.2 | Confident | 87.3 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | trans | -80 | 126.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V468 L470 P479 M480 L552 I555 | V468-A472 PolarHBondContact O-N 3.01Å; L470-A472 PolarHBondContact O-N 3.17Å; A472-P479 WeakPolarHBondContact O-CA 3.43Å; A472-M480 HydrophobicContact CB-SD 4.41Å; A472-M480 PolarHBondContact O-N 2.97Å; A472-M480 VanDerWaalsContact O-N 3.13Å; A472-L552 HydrophobicContact CB-CD2 3.59Å; A472-I555 HydrophobicContact CB-CD1 3.87Å | ||
| 473 | L | 88.5 | Confident | 87.1 | Confident | 101 Ų | 101 | 56 Ų | 56 | 53% | 0.529 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -110.1 | 150.2 | -179.2 | -50.9 | -178.8 | 0 | 0 | 0 | 110.9 | Q478 P479 M480 | L473-Q478 CarbonylContact C-O 3.3Å; L473-Q478 VanDerWaalsContact CA-O 3.25Å; L473-Q478 WeakPolarHBondContact CA-O 3.44Å; L473-P479 HydrophobicContact CD2-CB 4.04Å; L473-M480 VanDerWaalsContact O-SD 3.42Å |
| 474 | D | 83.8 | Confident | 87.2 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | trans | -78.8 | -171.3 | 167.7 | 58.4 | 36.2 | 0 | 0 | 0 | 111.6 | D476 G477 Q478 M480 | D474-D476 VanDerWaalsContact C-N 3.32Å; D474-D476 WeakPolarHBondContact OD1-CA 3.44Å; D474-D476 PolarHBondContact OD1-N 3.13Å; D474-G477 PolarHBondContact O-N 2.83Å; D474-G477 PolarHBondContact OD1-N 2.92Å; D474-Q478 VanDerWaalsContact CG-O 3.29Å; D474-Q478 PolarHBondContact N-O 2.85Å; D474-Q478 PolarHBondContact OD1-N 3.32Å; D474-Q478 WeakPolarHBondContact OD2-CB 2.95Å; D474-M480 HydrophobicContact CB-CG 3.99Å; D474-M480 VanDerWaalsContact N-CG 3.26Å | ||
| 475 | E | 76.1 | Confident | 87.2 | Confident | 159 Ų | 159 | 49.7 Ų | 49.7 | 74% | 0.743 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -16.4 | -178.6 | -70.2 | 174.7 | -127.4 | 0 | 0 | 113.4 | G477 R551 | E475-G477 VanDerWaalsContact C-N 3.29Å; E475-R551 IonicContact OE1-CZ 3.79Å; E475-R551 VanDerWaalsContact OE1-CZ 3.22Å; E475-R551 IonicContact OE1-NH1 3.87Å; E475-R551 PolarHBondContact OE1-NH1 3.42Å; E475-R551 IonicContact OE1-NH2 2.8Å; E475-R551 PolarHBondContact OE1-NH2 3.07Å |
| 476 | D | 76.2 | Confident | 87 | Confident | 147 Ų | 147 | 54.4 Ų | 54.4 | 79% | 0.786 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 2.7 | 170.3 | -68.5 | -54.7 | 0 | 0 | 0 | 112.1 | D474 Q478 | D474-D476 VanDerWaalsContact C-N 3.32Å; D474-D476 WeakPolarHBondContact OD1-CA 3.44Å; D474-D476 PolarHBondContact OD1-N 3.13Å; D476-Q478 VanDerWaalsContact C-N 3.3Å; D476-Q478 PolarHBondContact O-N 2.88Å |
| 477 | G | 78.9 | Confident | 86.9 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 39% | 0.392 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 76.1 | 11.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D474 E475 | D474-G477 PolarHBondContact O-N 2.83Å; D474-G477 PolarHBondContact OD1-N 2.92Å; E475-G477 VanDerWaalsContact C-N 3.29Å |
| 478 | Q | 75.5 | Confident | 86.7 | Confident | 119 Ų | 119 | 56.9 Ų | 56.9 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | trans | -85.5 | 146.3 | 176.4 | -60.4 | -58.5 | -51.3 | 0 | 0 | 111.2 | L473 D474 D476 M480 | L473-Q478 CarbonylContact C-O 3.3Å; L473-Q478 VanDerWaalsContact CA-O 3.25Å; L473-Q478 WeakPolarHBondContact CA-O 3.44Å; D474-Q478 VanDerWaalsContact CG-O 3.29Å; D474-Q478 PolarHBondContact N-O 2.85Å; D474-Q478 PolarHBondContact OD1-N 3.32Å; D474-Q478 WeakPolarHBondContact OD2-CB 2.95Å; D476-Q478 VanDerWaalsContact C-N 3.3Å; D476-Q478 PolarHBondContact O-N 2.88Å; Q478-M480 PolarHBondContact O-N 2.94Å; Q478-M480 VanDerWaalsContact O-N 3.07Å | ||
| 479 | P | 86.1 | Confident | 86.5 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 29% | 0.286 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -71.4 | 106.2 | 179.4 | 23.8 | -29.9 | 0 | 0 | 0 | 111.7 | A472 L473 S481 T482 | A472-P479 WeakPolarHBondContact O-CA 3.43Å; L473-P479 HydrophobicContact CD2-CB 4.04Å; P479-S481 PolarHBondContact O-N 3.08Å; P479-T482 HydrophobicContact CB-CG2 4.32Å; P479-T482 HydrophobicContact CG-CG2 3.8Å; P479-T482 WeakPolarHBondContact O-CB 3.32Å; P479-T482 WeakPolarHBondContact O-CG2 3.4Å; P479-T482 PolarHBondContact O-N 2.79Å; P479-T482 PolarHBondContact O-OG1 3.21Å |
| 480 | M | 88.7 | Confident | 85.8 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.025 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -28.2 | 178.8 | -46 | -177.1 | 72.3 | 0 | 0 | 113.1 | A472 L473 D474 Q478 T482 P483 F484 D548 R551 L552 | A472-M480 HydrophobicContact CB-SD 4.41Å; A472-M480 PolarHBondContact O-N 2.97Å; A472-M480 VanDerWaalsContact O-N 3.13Å; L473-M480 VanDerWaalsContact O-SD 3.42Å; D474-M480 HydrophobicContact CB-CG 3.99Å; D474-M480 VanDerWaalsContact N-CG 3.26Å; Q478-M480 PolarHBondContact O-N 2.94Å; Q478-M480 VanDerWaalsContact O-N 3.07Å; M480-T482 PolarHBondContact O-N 3.37Å; M480-P483 WeakPolarHBondContact O-CD 3.29Å; M480-F484 VanDerWaalsContact O-CD2 3.31Å; M480-F484 WeakPolarHBondContact O-CD2 3.22Å; M480-F484 VanDerWaalsContact O-CE2 3.25Å; M480-F484 WeakPolarHBondContact O-CE2 3.43Å; M480-D548 HydrophobicContact CB-CB 4.49Å; M480-D548 HydrophobicContact CE-CB 3.99Å; M480-D548 WeakPolarHBondContact CE-OD1 3.34Å; M480-R551 HydrophobicContact CE-CB 3.58Å; M480-R551 HydrophobicContact CE-CG 4.24Å; M480-R551 HydrophobicContact SD-CB 4.37Å; M480-L552 HydrophobicContact CB-CD1 4.01Å; M480-L552 HydrophobicContact CB-CD2 3.98Å; M480-L552 HydrophobicContact CB-CG 3.99Å; M480-L552 HydrophobicContact SD-CD2 4.38Å |
| 481 | S | 90.4 | Very high | 85.2 | Confident | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.014 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -9.4 | -178 | 72.5 | 0 | 0 | 0 | 0 | 114.6 | V469 L470 P479 F484 F485 | V469-S481 WeakPolarHBondContact O-CB 3.47Å; L470-S481 PolarHBondContact O-OG 3.08Å; P479-S481 PolarHBondContact O-N 3.08Å; S481-F484 PolarHBondContact O-N 3.07Å; S481-F485 WeakPolarHBondContact O-CD2 3.4Å |
| 482 | T | 88 | Confident | 84.4 | Confident | 82 Ų | 82 | 77.9 Ų | 77.9 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -65 | -38.1 | -172.1 | 46 | 0 | 0 | 0 | 0 | 116.3 | P479 M480 F485 | P479-T482 HydrophobicContact CB-CG2 4.32Å; P479-T482 HydrophobicContact CG-CG2 3.8Å; P479-T482 WeakPolarHBondContact O-CB 3.32Å; P479-T482 WeakPolarHBondContact O-CG2 3.4Å; P479-T482 PolarHBondContact O-N 2.79Å; P479-T482 PolarHBondContact O-OG1 3.21Å; M480-T482 PolarHBondContact O-N 3.37Å; T482-F485 WeakPolarHBondContact O-CB 3.39Å |
| 483 | P | 88.2 | Confident | 84.2 | Confident | 55 Ų | 55 | 82.9 Ų | 82.9 | 36% | 0.357 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -67.7 | -37.5 | 176 | -19.9 | 34.4 | 0 | 0 | 0 | 112 | M480 F485 I545 | M480-P483 WeakPolarHBondContact O-CD 3.29Å; P483-F485 PolarHBondContact O-N 2.95Å; P483-F485 VanDerWaalsContact O-N 3.14Å; P483-I545 HydrophobicContact CB-CD1 3.95Å; P483-I545 HydrophobicContact CB-CG1 3.92Å; P483-I545 HydrophobicContact CG-CD1 4.37Å; P483-I545 HydrophobicContact CG-CG1 3.95Å |
| 484 | F | 93.7 | Very high | 83.9 | Confident | 11 Ų | 11 | 80.3 Ų | 80.3 | 5% | 0.048 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -75.9 | 0.3 | -173.2 | -52.3 | -84.6 | 0 | 0 | 0 | 114.5 | M480 S481 C505 L506 V531 F532 A535 I545 D548 L552 | M480-F484 VanDerWaalsContact O-CD2 3.31Å; M480-F484 WeakPolarHBondContact O-CD2 3.22Å; M480-F484 VanDerWaalsContact O-CE2 3.25Å; M480-F484 WeakPolarHBondContact O-CE2 3.43Å; S481-F484 PolarHBondContact O-N 3.07Å; F484-C505 WeakPolarHBondContact O-CB 3.4Å; F484-L506 HydrophobicContact CB-CD1 3.72Å; F484-L506 HydrophobicContact CB-CG 3.78Å; F484-L506 WeakPolarHBondContact O-CG 3.29Å; F484-L506 PolarHBondContact O-N 3.28Å; F484-V531 HydrophobicContact CB-CG1 3.77Å; F484-V531 HydrophobicContact CD1-CG1 3.98Å; F484-V531 HydrophobicContact CG-CG1 4.31Å; F484-F532 HydrophobicContact CD1-CD1 4.02Å; F484-F532 HydrophobicContact CD1-CE1 4.35Å; F484-F532 HydrophobicContact CE1-CD1 4.07Å; F484-F532 HydrophobicContact CG-CE1 4.42Å; F484-A535 HydrophobicContact CD1-CB 4.25Å; F484-A535 HydrophobicContact CE1-CB 3.56Å; F484-I545 HydrophobicContact CZ-CG2 4.36Å; F484-I545 WeakPolarHBondContact CZ-O 3.45Å; F484-D548 HydrophobicContact CE2-CB 3.9Å; F484-D548 HydrophobicContact CZ-CB 4.02Å; F484-L552 HydrophobicContact CD2-CD1 3.66Å; F484-L552 HydrophobicContact CE2-CD1 3.63Å; F484-L552 HydrophobicContact CG-CD1 4.47Å; F484-L552 HydrophobicContact CZ-CD1 4.4Å |
| 485 | F | 89.1 | Confident | 83.8 | Confident | 40 Ų | 40 | 81 Ų | 81 | 18% | 0.175 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -78.5 | -37.7 | -162.9 | -134.4 | -120.1 | 0 | 0 | 0 | 113.8 | R72 L470 S481 T482 P483 S507 | R72-F485 HydrophobicContact CB-CE1 3.59Å; R72-F485 HydrophobicContact CB-CE2 4.41Å; R72-F485 HydrophobicContact CB-CZ 3.37Å; R72-F485 HydrophobicContact CG-CE1 3.89Å; R72-F485 HydrophobicContact CG-CE2 3.87Å; R72-F485 HydrophobicContact CG-CZ 3.28Å; R72-F485 VanDerWaalsContact O-CE1 3.26Å; R72-F485 WeakPolarHBondContact O-CE1 3.27Å; R72-F485 WeakPolarHBondContact O-CZ 3.3Å; L470-F485 HydrophobicContact CD2-CD2 4.19Å; L470-F485 HydrophobicContact CD2-CE2 3.67Å; S481-F485 WeakPolarHBondContact O-CD2 3.4Å; T482-F485 WeakPolarHBondContact O-CB 3.39Å; P483-F485 PolarHBondContact O-N 2.95Å; P483-F485 VanDerWaalsContact O-N 3.14Å; F485-S507 WeakPolarHBondContact O-CB 3.05Å; F485-S507 PolarHBondContact O-N 2.82Å; F485-S507 PolarHBondContact O-OG 2.71Å |
| 486 | R | 89.4 | Confident | 84.5 | Confident | 100 Ų | 100 | 74.1 Ų | 74.1 | 38% | 0.377 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -133.8 | 155.9 | 179.7 | -61.4 | 178.7 | -176.7 | -175.6 | 1.6 | 106.9 | S394 S395 | S394-R486 VanDerWaalsContact C-NH1 3.28Å; S394-R486 PolarHBondContact O-NH1 3.35Å; S395-R486 VanDerWaalsContact C-NH1 3.28Å; S395-R486 VanDerWaalsContact O-CZ 3.28Å; S395-R486 PolarHBondContact O-NH1 2.81Å; S395-R486 PolarHBondContact O-NH2 2.74Å; S395-R486 PolarHBondContact OG-NH1 2.89Å |
| 487 | L | 90.7 | Very high | 85.1 | Confident | 60 Ų | 60 | 70 Ų | 70 | 31% | 0.314 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 150.3 | 174.8 | -63.2 | 175.2 | 0 | 0 | 0 | 111 | Y497 P503 L504 C505 | L487-Y497 WeakPolarHBondContact CB-OH 3.31Å; L487-Y497 HydrophobicContact CD1-CE1 4.48Å; L487-P503 HydrophobicContact CD1-CB 4.22Å; L487-P503 HydrophobicContact CD2-CB 3.94Å; L487-L504 WeakPolarHBondContact CD2-O 3.44Å; L487-C505 HydrophobicContact CD2-CB 3.93Å; L487-C505 HydrophobicContact CG-CB 4.24Å |
| 488 | P | 86 | Confident | 85.3 | Confident | 39 Ų | 39 | 75 Ų | 75 | 25% | 0.253 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -50.5 | 151 | 165.3 | -27.4 | 37 | 0 | 0 | 0 | 111.7 | R490 Y493 Y496 Y497 | P488-R490 PolarHBondContact O-N 3.46Å; P488-Y493 HydrophobicContact CB-CD2 3.94Å; P488-Y493 HydrophobicContact CB-CG 4.4Å; P488-Y496 HydrophobicContact CB-CD1 4.09Å; P488-Y496 HydrophobicContact CB-CG 4.15Å; P488-Y496 HydrophobicContact CG-CD1 3.81Å; P488-Y496 HydrophobicContact CG-CD2 3.92Å; P488-Y496 HydrophobicContact CG-CE1 3.82Å; P488-Y496 HydrophobicContact CG-CE2 3.93Å; P488-Y496 HydrophobicContact CG-CG 3.87Å; P488-Y497 WeakPolarHBondContact O-CE2 3.39Å; P488-Y497 PolarHBondContact O-OH 2.68Å |
| 489 | S | 87.3 | Confident | 85.8 | Confident | 60 Ų | 60 | 74 Ų | 74 | 42% | 0.42 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 116.1 | 179 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | R491 L492 Y493 | S489-R491 PolarHBondContact O-N 2.75Å; S489-L492 PolarHBondContact O-N 3.47Å; S489-Y493 PolarHBondContact O-N 3.21Å |
| 490 | R | 78.8 | Confident | 85.9 | Confident | 168 Ų | 168 | 72 Ų | 72 | 63% | 0.634 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -16.4 | 177.5 | -163.5 | 168 | -165.4 | -114.2 | -0.5 | 114.7 | P488 Y497 | P488-R490 PolarHBondContact O-N 3.46Å; R490-Y497 HydrophobicContact CB-CD2 3.69Å; R490-Y497 HydrophobicContact CB-CE2 3.48Å; R490-Y497 VanDerWaalsContact CB-CE2 3.48Å; R490-Y497 HydrophobicContact CB-CG 4.35Å; R490-Y497 HydrophobicContact CG-CD1 4.42Å; R490-Y497 HydrophobicContact CG-CD2 3.56Å; R490-Y497 HydrophobicContact CG-CE2 3.9Å; R490-Y497 HydrophobicContact CG-CG 3.83Å |
| 491 | R | 78.4 | Confident | 85.6 | Confident | 231 Ų | 231 | 76.2 Ų | 76.2 | 87% | 0.872 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -19.4 | 173.2 | 174.9 | 173.1 | 167.5 | -177.2 | -4.3 | 113.6 | S489 | S489-R491 PolarHBondContact O-N 2.75Š|
| 492 | L | 71.5 | Confident | 85.3 | Confident | 123 Ų | 123 | 80.1 Ų | 80.1 | 64% | 0.644 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -36.1 | 179.7 | -60.8 | 178.5 | 0 | 0 | 0 | 111.9 | S489 | S489-L492 PolarHBondContact O-N 3.47Š|
| 493 | Y | 82.5 | Confident | 85.4 | Confident | 114 Ų | 114 | 78 Ų | 78 | 45% | 0.447 | 37% | 0.374 | S | S | . | . | trans | -125.8 | 74.4 | 177.3 | -52.1 | -81.9 | 0 | 0 | 0 | 108.9 | P488 S489 D495 Y497 Y538 | P488-Y493 HydrophobicContact CB-CD2 3.94Å; P488-Y493 HydrophobicContact CB-CG 4.4Å; S489-Y493 PolarHBondContact O-N 3.21Å; Y493-D495 VanDerWaalsContact C-N 3.33Å; Y493-D495 WeakPolarHBondContact CA-OD1 3.34Å; Y493-Y497 WeakPolarHBondContact O-CD2 3.39Å; Y493-Y538 WeakPolarHBondContact CD1-OH 3Å | ||
| 494 | P | 81.7 | Confident | 85.5 | Confident | 46 Ų | 46 | 76.9 Ų | 76.9 | 30% | 0.299 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -39.1 | 173.9 | 28.2 | -33.4 | 0 | 0 | 0 | 111.3 | Y496 Y497 E498 | P494-Y496 VanDerWaalsContact C-N 3.32Å; P494-Y496 PolarHBondContact O-N 3.27Å; P494-Y497 CarbonylContact O-C 3.58Å; P494-Y497 WeakPolarHBondContact O-CA 3.21Å; P494-Y497 WeakPolarHBondContact O-CB 3.49Å; P494-Y497 PolarHBondContact O-N 3.28Å; P494-E498 PolarHBondContact O-N 3.41Å |
| 495 | D | 82.8 | Confident | 85.6 | Confident | 58 Ų | 58 | 76.7 Ų | 76.7 | 31% | 0.31 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -40.5 | 173.5 | 55.8 | -48.7 | 0 | 0 | 0 | 113.2 | Y493 Y497 E498 E499 Y538 | Y493-D495 VanDerWaalsContact C-N 3.33Å; Y493-D495 WeakPolarHBondContact CA-OD1 3.34Å; D495-Y497 PolarHBondContact O-N 3.33Å; D495-E498 WeakPolarHBondContact O-CA 3.25Å; D495-E498 WeakPolarHBondContact O-CB 3.38Å; D495-E498 PolarHBondContact O-N 3.07Å; D495-E499 PolarHBondContact O-N 3.05Å; D495-Y538 WeakPolarHBondContact OD2-CE2 3.1Å; D495-Y538 PolarHBondContact OD2-OH 3.16Å |
| 496 | Y | 89.8 | Confident | 85.8 | Confident | 15 Ų | 15 | 74.8 Ų | 74.8 | 6% | 0.059 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.1 | -35.4 | 171.9 | 177.9 | -91.1 | 0 | 0 | 0 | 112.3 | P488 P494 E498 I500 P503 Y538 | P488-Y496 HydrophobicContact CB-CD1 4.09Å; P488-Y496 HydrophobicContact CB-CG 4.15Å; P488-Y496 HydrophobicContact CG-CD1 3.81Å; P488-Y496 HydrophobicContact CG-CD2 3.92Å; P488-Y496 HydrophobicContact CG-CE1 3.82Å; P488-Y496 HydrophobicContact CG-CE2 3.93Å; P488-Y496 HydrophobicContact CG-CG 3.87Å; P494-Y496 VanDerWaalsContact C-N 3.32Å; P494-Y496 PolarHBondContact O-N 3.27Å; Y496-E498 VanDerWaalsContact C-N 3.33Å; Y496-I500 HydrophobicContact CD2-CG1 3.93Å; Y496-I500 HydrophobicContact CE1-CB 4.23Å; Y496-I500 HydrophobicContact CE1-CG1 4.45Å; Y496-I500 HydrophobicContact CE1-CG2 4.42Å; Y496-I500 HydrophobicContact CE2-CB 4.3Å; Y496-I500 HydrophobicContact CE2-CG1 3.64Å; Y496-I500 HydrophobicContact CG-CG1 4.45Å; Y496-I500 WeakPolarHBondContact O-CA 3.45Å; Y496-I500 WeakPolarHBondContact O-CB 3.16Å; Y496-I500 WeakPolarHBondContact O-CG1 3.26Å; Y496-I500 PolarHBondContact O-N 3.43Å; Y496-P503 HydrophobicContact CE1-CB 4.01Å; Y496-Y538 AromaticContact CD2-CD1 3.64Å; Y496-Y538 HydrophobicContact CD2-CD1 3.64Å; Y496-Y538 AromaticContact CD2-CD2 3.95Å; Y496-Y538 HydrophobicContact CD2-CD2 3.95Å; Y496-Y538 HydrophobicContact CD2-CE1 4.01Å; Y496-Y538 HydrophobicContact CD2-CE2 4.32Å; Y496-Y538 AromaticContact CD2-CG 3.59Å; Y496-Y538 HydrophobicContact CD2-CG 3.59Å; Y496-Y538 HydrophobicContact CE2-CD1 4.31Å; Y496-Y538 HydrophobicContact CE2-CG 4.24Å |
| 497 | Y | 88.9 | Confident | 85.9 | Confident | 59 Ų | 59 | 71.7 Ų | 71.7 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -88.3 | 0.1 | 177.9 | -71.7 | -93.8 | 0 | 0 | 0 | 113.7 | L487 P488 R490 Y493 P494 D495 P503 | L487-Y497 WeakPolarHBondContact CB-OH 3.31Å; L487-Y497 HydrophobicContact CD1-CE1 4.48Å; P488-Y497 WeakPolarHBondContact O-CE2 3.39Å; P488-Y497 PolarHBondContact O-OH 2.68Å; R490-Y497 HydrophobicContact CB-CD2 3.69Å; R490-Y497 HydrophobicContact CB-CE2 3.48Å; R490-Y497 VanDerWaalsContact CB-CE2 3.48Å; R490-Y497 HydrophobicContact CB-CG 4.35Å; R490-Y497 HydrophobicContact CG-CD1 4.42Å; R490-Y497 HydrophobicContact CG-CD2 3.56Å; R490-Y497 HydrophobicContact CG-CE2 3.9Å; R490-Y497 HydrophobicContact CG-CG 3.83Å; Y493-Y497 WeakPolarHBondContact O-CD2 3.39Å; P494-Y497 CarbonylContact O-C 3.58Å; P494-Y497 WeakPolarHBondContact O-CA 3.21Å; P494-Y497 WeakPolarHBondContact O-CB 3.49Å; P494-Y497 PolarHBondContact O-N 3.28Å; D495-Y497 PolarHBondContact O-N 3.33Å; Y497-P503 HydrophobicContact CD1-CB 4.31Å; Y497-P503 HydrophobicContact CD1-CG 3.95Å; Y497-P503 HydrophobicContact CE1-CB 4.03Å; Y497-P503 HydrophobicContact CE1-CG 3.86Å |
| 498 | E | 83.6 | Confident | 85.9 | Confident | 145 Ų | 145 | 70.7 Ų | 70.7 | 68% | 0.678 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -96.8 | -42.6 | 172.2 | -68 | 158.2 | -154.7 | 0 | 0 | 109.5 | P494 D495 Y496 | P494-E498 PolarHBondContact O-N 3.41Å; D495-E498 WeakPolarHBondContact O-CA 3.25Å; D495-E498 WeakPolarHBondContact O-CB 3.38Å; D495-E498 PolarHBondContact O-N 3.07Å; Y496-E498 VanDerWaalsContact C-N 3.33Å |
| 499 | E | 85.6 | Confident | 86.2 | Confident | 97 Ų | 97 | 68.9 Ų | 68.9 | 45% | 0.453 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -78.5 | -43.2 | 174.4 | -65 | -173.7 | -178.9 | 0 | 0 | 113.7 | D495 T501 Q537 Y538 | D495-E499 PolarHBondContact O-N 3.05Å; E499-T501 PolarHBondContact O-N 3.47Å; E499-Q537 PolarHBondContact O-NE2 2.86Å; E499-Q537 VanDerWaalsContact O-NE2 3.12Å; E499-Y538 WeakPolarHBondContact OE2-CD2 3.28Å |
| 500 | I | 89.3 | Confident | 86.4 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | trans | -93.4 | 92.4 | -174.7 | -53.2 | -52.4 | 0 | 0 | 0 | 110.7 | Y496 N502 P503 N534 Q537 | Y496-I500 HydrophobicContact CD2-CG1 3.93Å; Y496-I500 HydrophobicContact CE1-CB 4.23Å; Y496-I500 HydrophobicContact CE1-CG1 4.45Å; Y496-I500 HydrophobicContact CE1-CG2 4.42Å; Y496-I500 HydrophobicContact CE2-CB 4.3Å; Y496-I500 HydrophobicContact CE2-CG1 3.64Å; Y496-I500 HydrophobicContact CG-CG1 4.45Å; Y496-I500 WeakPolarHBondContact O-CA 3.45Å; Y496-I500 WeakPolarHBondContact O-CB 3.16Å; Y496-I500 WeakPolarHBondContact O-CG1 3.26Å; Y496-I500 PolarHBondContact O-N 3.43Å; I500-N502 VanDerWaalsContact C-N 3.3Å; I500-N502 PolarHBondContact O-N 3.44Å; I500-P503 HydrophobicContact CG2-CB 4.42Å; I500-P503 WeakPolarHBondContact O-CD 3.32Å; I500-N534 WeakPolarHBondContact CD1-O 3.47Å; I500-N534 HydrophobicContact CG2-CB 3.76Å; I500-N534 WeakPolarHBondContact CG2-OD1 3.36Å; I500-Q537 HydrophobicContact CD1-CB 3.79Å; I500-Q537 HydrophobicContact CD1-CG 3.79Å | ||
| 501 | T | 81.4 | Confident | 86.9 | Confident | 94 Ų | 94 | 65.7 Ų | 65.7 | 58% | 0.577 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -63.9 | -24.9 | -177.7 | 56.7 | 0 | 0 | 0 | 0 | 115.1 | E499 | E499-T501 PolarHBondContact O-N 3.47Š|
| 502 | N | 85.7 | Confident | 87.5 | Confident | 83 Ų | 83 | 56.1 Ų | 56.1 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -127.1 | 71 | 179.4 | -173.2 | 27.7 | 0 | 0 | 0 | 112.3 | I500 L504 N534 | I500-N502 VanDerWaalsContact C-N 3.3Å; I500-N502 PolarHBondContact O-N 3.44Å; N502-L504 PolarHBondContact O-N 3.07Å; N502-N534 PolarHBondContact O-ND2 3.41Å |
| 503 | P | 88.9 | Confident | 88.4 | Confident | 39 Ų | 39 | 50.4 Ų | 50.4 | 25% | 0.253 | 25% | 0.254 | S | S | . | . | trans | -72.4 | 101 | -172.3 | 29.8 | -34.6 | 0 | 0 | 0 | 111.6 | L487 Y496 Y497 I500 | L487-P503 HydrophobicContact CD1-CB 4.22Å; L487-P503 HydrophobicContact CD2-CB 3.94Å; Y496-P503 HydrophobicContact CE1-CB 4.01Å; Y497-P503 HydrophobicContact CD1-CB 4.31Å; Y497-P503 HydrophobicContact CD1-CG 3.95Å; Y497-P503 HydrophobicContact CE1-CB 4.03Å; Y497-P503 HydrophobicContact CE1-CG 3.86Å; I500-P503 HydrophobicContact CG2-CB 4.42Å; I500-P503 WeakPolarHBondContact O-CD 3.32Å | ||
| 504 | L | 90.9 | Very high | 88.6 | Confident | 30 Ų | 30 | 51 Ų | 51 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | trans | -110.5 | 156.7 | 175.7 | -161.5 | 64 | 0 | 0 | 0 | 111.2 | L487 N502 I509 D527 V530 V531 N534 | L487-L504 WeakPolarHBondContact CD2-O 3.44Å; N502-L504 PolarHBondContact O-N 3.07Å; L504-I509 HydrophobicContact CD2-CG1 4.33Å; L504-D527 HydrophobicContact CD2-CB 3.91Å; L504-D527 WeakPolarHBondContact CD2-O 3.42Å; L504-V530 HydrophobicContact CB-CG1 3.81Å; L504-V530 HydrophobicContact CD2-CB 4.35Å; L504-V530 HydrophobicContact CD2-CG1 4.2Å; L504-V531 HydrophobicContact CB-CG2 4Å; L504-V531 HydrophobicContact CD2-CG2 4.19Å; L504-V531 HydrophobicContact CG-CG2 3.98Å; L504-N534 PolarHBondContact N-ND2 3.4Å | ||
| 505 | C | 94.6 | Very high | 88.8 | Confident | 8 Ų | 8 | 57 Ų | 57 | 5% | 0.054 | 28% | 0.276 | C | S | . | . | trans | -143.8 | 160.5 | 173.9 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | F484 L487 S507 S508 I509 | F484-C505 WeakPolarHBondContact O-CB 3.4Å; L487-C505 HydrophobicContact CD2-CB 3.93Å; L487-C505 HydrophobicContact CG-CB 4.24Å; C505-S507 PolarHBondContact O-N 2.88Å; C505-S507 PolarHBondContact SG-OG 3.45Å; C505-S507 VanDerWaalsContact SG-OG 3.4Å; C505-S508 WeakPolarHBondContact O-CB 3.39Å; C505-S508 PolarHBondContact O-N 3.14Å; C505-I509 PolarHBondContact O-N 3.32Å | ||
| 506 | L | 94.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.6 | -25.3 | -175.5 | -61.5 | -179.1 | 0 | 0 | 0 | 113.2 | R72 V469 L470 F484 I509 K510 L528 V531 F532 | R72-L506 VanDerWaalsContact NH1-C 3.25Å; R72-L506 PolarHBondContact NH1-O 2.7Å; R72-L506 PolarHBondContact NH2-O 2.73Å; V469-L506 HydrophobicContact CG1-CD1 4.44Å; V469-L506 HydrophobicContact CG1-CD2 4.36Å; L470-L506 HydrophobicContact CD2-CD1 4.21Å; F484-L506 HydrophobicContact CB-CD1 3.72Å; F484-L506 HydrophobicContact CB-CG 3.78Å; F484-L506 WeakPolarHBondContact O-CG 3.29Å; F484-L506 PolarHBondContact O-N 3.28Å; L506-I509 HydrophobicContact CD2-CD1 4.29Å; L506-K510 PolarHBondContact O-N 3.34Å; L506-L528 HydrophobicContact CD2-CD2 3.44Å; L506-L528 VanDerWaalsContact CD2-CD2 3.44Å; L506-V531 HydrophobicContact CD2-CB 4.4Å; L506-V531 HydrophobicContact CD2-CG1 3.97Å; L506-V531 HydrophobicContact CG-CG1 4.11Å; L506-F532 HydrophobicContact CD2-CZ 4.49Å |
| 507 | S | 91.1 | Very high | 88.6 | Confident | 34 Ų | 34 | 62.6 Ų | 62.6 | 24% | 0.238 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -77.4 | -23.8 | 177.5 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | F485 C505 K511 | F485-S507 WeakPolarHBondContact O-CB 3.05Å; F485-S507 PolarHBondContact O-N 2.82Å; F485-S507 PolarHBondContact O-OG 2.71Å; C505-S507 PolarHBondContact O-N 2.88Å; C505-S507 PolarHBondContact SG-OG 3.45Å; C505-S507 VanDerWaalsContact SG-OG 3.4Å; S507-K511 WeakPolarHBondContact O-CG 3.49Å; S507-K511 PolarHBondContact O-N 3.44Å |
| 508 | S | 90.5 | Very high | 88.5 | Confident | 40 Ų | 40 | 60.1 Ų | 60.1 | 28% | 0.28 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.4 | -46.2 | 168 | -64.9 | 0 | 0 | 0 | 0 | 110.7 | C505 K510 K511 K512 | C505-S508 WeakPolarHBondContact O-CB 3.39Å; C505-S508 PolarHBondContact O-N 3.14Å; S508-K510 VanDerWaalsContact C-N 3.32Å; S508-K510 PolarHBondContact O-N 2.57Å; S508-K511 WeakPolarHBondContact O-CA 3.42Å; S508-K511 WeakPolarHBondContact O-CB 3.28Å; S508-K511 PolarHBondContact O-N 3.06Å; S508-K512 PolarHBondContact O-N 3.48Å |
| 509 | I | 91.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.5 | -46.1 | 176.2 | -58.3 | 179.1 | 0 | 0 | 0 | 110.8 | L466 L504 C505 L506 K511 K512 I513 Y518 D527 L528 V531 | L466-I509 HydrophobicContact CD1-CG2 4.11Å; L466-I509 HydrophobicContact CD2-CG2 4.24Å; L504-I509 HydrophobicContact CD2-CG1 4.33Å; C505-I509 PolarHBondContact O-N 3.32Å; L506-I509 HydrophobicContact CD2-CD1 4.29Å; I509-K511 PolarHBondContact O-N 3.17Å; I509-K512 PolarHBondContact O-N 2.64Å; I509-K512 VanDerWaalsContact O-N 3.09Å; I509-I513 PolarHBondContact O-N 3.24Å; I509-I513 VanDerWaalsContact O-N 3.11Å; I509-Y518 WeakPolarHBondContact CA-OH 3.44Å; I509-Y518 HydrophobicContact CG2-CE2 4.21Å; I509-Y518 WeakPolarHBondContact CG2-OH 3.49Å; I509-D527 HydrophobicContact CD1-CB 3.98Å; I509-D527 HydrophobicContact CG1-CB 4.1Å; I509-L528 HydrophobicContact CD1-CD2 3.63Å; I509-L528 HydrophobicContact CD1-CG 3.97Å; I509-V531 HydrophobicContact CD1-CG2 3.82Å |
| 510 | K | 92.5 | Very high | 88.1 | Confident | 44 Ų | 44 | 51.2 Ų | 51.2 | 19% | 0.191 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.7 | -24.9 | 176.7 | -163.7 | 158.1 | 179.6 | 158.8 | 0 | 113.8 | L466 L506 S508 | L466-K510 HydrophobicContact CD2-CB 3.78Å; L466-K510 HydrophobicContact CD2-CD 4.4Å; L466-K510 HydrophobicContact CD2-CG 4.05Å; L506-K510 PolarHBondContact O-N 3.34Å; S508-K510 VanDerWaalsContact C-N 3.32Å; S508-K510 PolarHBondContact O-N 2.57Å |
| 511 | K | 90 | Very high | 88.1 | Confident | 116 Ų | 116 | 51.1 Ų | 51.1 | 50% | 0.504 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -78.6 | -41 | 172.6 | -70 | 170.4 | -178.8 | 174.7 | 0 | 111.8 | S507 S508 I509 K514 R515 | S507-K511 WeakPolarHBondContact O-CG 3.49Å; S507-K511 PolarHBondContact O-N 3.44Å; S508-K511 WeakPolarHBondContact O-CA 3.42Å; S508-K511 WeakPolarHBondContact O-CB 3.28Å; S508-K511 PolarHBondContact O-N 3.06Å; I509-K511 PolarHBondContact O-N 3.17Å; K511-K514 PolarHBondContact O-N 3.29Å; K511-R515 WeakPolarHBondContact O-CG 3.46Å; K511-R515 PolarHBondContact O-N 2.87Å |
| 512 | K | 90.7 | Very high | 88.3 | Confident | 30 Ų | 30 | 47.1 Ų | 47.1 | 13% | 0.13 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 178.8 | -68.9 | -172.9 | 56.2 | -172.4 | 0 | 112.5 | P414 S508 I509 K514 R515 Y516 E517 Y518 D527 | P414-K512 PolarHBondContact O-NZ 2.94Å; S508-K512 PolarHBondContact O-N 3.48Å; I509-K512 PolarHBondContact O-N 2.64Å; I509-K512 VanDerWaalsContact O-N 3.09Å; K512-K514 PolarHBondContact O-N 2.89Å; K512-R515 PolarHBondContact O-N 3.07Å; K512-R515 VanDerWaalsContact O-N 3.11Å; K512-Y516 PolarHBondContact O-N 3.35Å; K512-E517 HydrophobicContact CB-CB 4.28Å; K512-E517 WeakPolarHBondContact CG-OE2 3.31Å; K512-E517 PolarHBondContact O-N 3.13Å; K512-Y518 HydrophobicContact CB-CD2 3.88Å; K512-Y518 HydrophobicContact CB-CE1 4.35Å; K512-Y518 HydrophobicContact CB-CE2 3.23Å; K512-Y518 VanDerWaalsContact CB-CZ 3.49Å; K512-Y518 HydrophobicContact CD-CE1 4.26Å; K512-Y518 HydrophobicContact CD-CE2 4.49Å; K512-Y518 WeakPolarHBondContact CD-OH 3.16Å; K512-Y518 VanDerWaalsContact CE-CE1 3.48Å; K512-Y518 HydrophobicContact CG-CE2 4.41Å; K512-D527 IonicContact NZ-OD1 3.67Å; K512-D527 IonicContact NZ-OD2 3.66Å; K512-D527 PolarHBondContact NZ-OD2 3.16Å |
| 513 | I | 90.5 | Very high | 88.4 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.5 | -47.3 | 174.2 | -57.1 | 177.9 | 0 | 0 | 0 | 111 | R459 Q462 E463 L466 I509 R515 Y516 Y518 | R459-I513 HydrophobicContact CG-CG2 4.21Å; Q462-I513 HydrophobicContact CB-CD1 4.35Å; Q462-I513 HydrophobicContact CB-CG2 3.98Å; E463-I513 HydrophobicContact CG-CG2 3.65Å; L466-I513 HydrophobicContact CB-CD1 3.81Å; L466-I513 HydrophobicContact CD2-CD1 3.6Å; L466-I513 HydrophobicContact CG-CD1 4.33Å; I509-I513 PolarHBondContact O-N 3.24Å; I509-I513 VanDerWaalsContact O-N 3.11Å; I513-R515 PolarHBondContact O-N 2.76Å; I513-R515 VanDerWaalsContact O-N 3.08Å; I513-Y516 PolarHBondContact O-N 3.41Å; I513-Y516 VanDerWaalsContact O-N 3.11Å; I513-Y518 HydrophobicContact CB-CD2 4.26Å; I513-Y518 HydrophobicContact CB-CE2 4.47Å; I513-Y518 HydrophobicContact CG1-CD2 3.57Å; I513-Y518 HydrophobicContact CG1-CE2 3.57Å |
| 514 | K | 86.4 | Confident | 88.6 | Confident | 127 Ų | 127 | 41.9 Ų | 41.9 | 55% | 0.552 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -63.9 | -14.6 | -179.6 | -79.4 | -164.1 | 172.7 | -164.6 | 0 | 114.5 | K511 K512 | K511-K514 PolarHBondContact O-N 3.29Å; K512-K514 PolarHBondContact O-N 2.89Å |
| 515 | R | 85.6 | Confident | 88.7 | Confident | 172 Ų | 172 | 40.8 Ų | 40.8 | 65% | 0.649 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 0.4 | 178.3 | -69.9 | 179.3 | 174.4 | -176.2 | -3.1 | 114 | K511 K512 I513 E517 | K511-R515 WeakPolarHBondContact O-CG 3.46Å; K511-R515 PolarHBondContact O-N 2.87Å; K512-R515 PolarHBondContact O-N 3.07Å; K512-R515 VanDerWaalsContact O-N 3.11Å; I513-R515 PolarHBondContact O-N 2.76Å; I513-R515 VanDerWaalsContact O-N 3.08Å; R515-E517 HydrophobicContact CB-CG 3.82Å; R515-E517 WeakPolarHBondContact CD-OE1 3.28Å; R515-E517 IonicContact CZ-OE1 2.85Å; R515-E517 IonicContact NE-OE1 3.77Å; R515-E517 IonicContact NH1-OE1 3.79Å; R515-E517 PolarHBondContact NH1-OE1 3.46Å; R515-E517 PolarHBondContact O-N 3Å |
| 516 | Y | 84.9 | Confident | 88.5 | Confident | 119 Ų | 119 | 43 Ų | 43 | 47% | 0.467 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 32.7 | -171.5 | -51.1 | -93.4 | 0 | 0 | 0 | 112.8 | R459 K512 I513 Y518 | R459-Y516 HydrophobicContact CB-CD1 4.36Å; R459-Y516 HydrophobicContact CB-CE1 3.94Å; R459-Y516 HydrophobicContact CG-CE1 4.19Å; R459-Y516 PolarHBondContact NH1-OH 2.98Å; K512-Y516 PolarHBondContact O-N 3.35Å; I513-Y516 PolarHBondContact O-N 3.41Å; I513-Y516 VanDerWaalsContact O-N 3.11Å; Y516-Y518 VanDerWaalsContact C-N 3.26Å; Y516-Y518 PolarHBondContact O-N 3.5Å |
| 517 | E | 83.9 | Confident | 88.4 | Confident | 70 Ų | 70 | 43.6 Ų | 43.6 | 33% | 0.327 | 20% | 0.203 | S | C | . | . | trans | -78.4 | -7.3 | 177.3 | -71.6 | 177.3 | -161.5 | 0 | 0 | 113.2 | Y413 K512 R515 | Y413-E517 WeakPolarHBondContact CD1-O 3.46Å; K512-E517 HydrophobicContact CB-CB 4.28Å; K512-E517 WeakPolarHBondContact CG-OE2 3.31Å; K512-E517 PolarHBondContact O-N 3.13Å; R515-E517 HydrophobicContact CB-CG 3.82Å; R515-E517 WeakPolarHBondContact CD-OE1 3.28Å; R515-E517 IonicContact CZ-OE1 2.85Å; R515-E517 IonicContact NE-OE1 3.77Å; R515-E517 IonicContact NH1-OE1 3.79Å; R515-E517 PolarHBondContact NH1-OE1 3.46Å; R515-E517 PolarHBondContact O-N 3Å | ||
| 518 | Y | 86 | Confident | 88.6 | Confident | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | trans | -110.1 | 125.3 | -179.7 | -68.3 | -60.1 | 0 | 0 | 0 | 111.1 | P414 D416 Q462 I509 K512 I513 Y516 V524 D527 | P414-Y518 WeakPolarHBondContact O-CD1 3.47Å; P414-Y518 WeakPolarHBondContact O-CE1 3.41Å; D416-Y518 WeakPolarHBondContact OD2-CB 3.2Å; Q462-Y518 PolarHBondContact NE2-O 2.8Å; I509-Y518 WeakPolarHBondContact CA-OH 3.44Å; I509-Y518 HydrophobicContact CG2-CE2 4.21Å; I509-Y518 WeakPolarHBondContact CG2-OH 3.49Å; K512-Y518 HydrophobicContact CB-CD2 3.88Å; K512-Y518 HydrophobicContact CB-CE1 4.35Å; K512-Y518 HydrophobicContact CB-CE2 3.23Å; K512-Y518 VanDerWaalsContact CB-CZ 3.49Å; K512-Y518 HydrophobicContact CD-CE1 4.26Å; K512-Y518 HydrophobicContact CD-CE2 4.49Å; K512-Y518 WeakPolarHBondContact CD-OH 3.16Å; K512-Y518 VanDerWaalsContact CE-CE1 3.48Å; K512-Y518 HydrophobicContact CG-CE2 4.41Å; I513-Y518 HydrophobicContact CB-CD2 4.26Å; I513-Y518 HydrophobicContact CB-CE2 4.47Å; I513-Y518 HydrophobicContact CG1-CD2 3.57Å; I513-Y518 HydrophobicContact CG1-CE2 3.57Å; Y516-Y518 VanDerWaalsContact C-N 3.26Å; Y516-Y518 PolarHBondContact O-N 3.5Å; Y518-V524 HydrophobicContact CD1-CG2 3.34Å; Y518-V524 HydrophobicContact CD2-CG2 3.84Å; Y518-V524 HydrophobicContact CE1-CG2 3.86Å; Y518-V524 HydrophobicContact CE2-CG2 4.29Å; Y518-V524 HydrophobicContact CG-CG2 3.33Å; Y518-D527 HydrophobicContact CE1-CB 4.37Å; Y518-D527 VanDerWaalsContact CE1-OD2 3.3Å; Y518-D527 WeakPolarHBondContact CE1-OD2 3.35Å; Y518-D527 VanDerWaalsContact CZ-OD2 3.31Å; Y518-D527 PolarHBondContact OH-OD2 3.1Å | ||
| 519 | P | 77.7 | Confident | 88.8 | Confident | 38 Ų | 38 | 41 Ų | 41 | 25% | 0.247 | 18% | 0.183 | C | C | . | . | trans | -87 | -14 | -171.4 | 24.5 | -23.4 | 0 | 0 | 0 | 117.5 | Y413 D416 H458 | Y413-P519 HydrophobicContact CD1-CG 3.75Å; Y413-P519 HydrophobicContact CD2-CG 3.74Å; Y413-P519 HydrophobicContact CE1-CB 4.1Å; Y413-P519 HydrophobicContact CE1-CG 3.77Å; Y413-P519 HydrophobicContact CE2-CB 4.22Å; Y413-P519 HydrophobicContact CE2-CG 3.76Å; Y413-P519 HydrophobicContact CG-CG 3.72Å; D416-P519 HydrophobicContact CB-CG 3.82Å; D416-P519 WeakPolarHBondContact OD2-CD 3.33Å; H458-P519 PolarHBondContact CD2-O 2.71Å | ||
| 520 | S | 84.2 | Confident | 88.9 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 12% | 0.119 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -163.6 | -118.7 | 172.8 | 29.9 | 0 | 0 | 0 | 0 | 112.6 | D416 T417 Q462 | D416-S520 WeakPolarHBondContact CB-OG 3.4Å; D416-S520 VanDerWaalsContact OD1-C 3.26Å; D416-S520 PolarHBondContact OD2-N 2.66Å; T417-S520 WeakPolarHBondContact CA-OG 3.27Å; T417-S520 PolarHBondContact N-OG 3.18Å; T417-S520 WeakPolarHBondContact O-CB 3.43Å; T417-S520 PolarHBondContact O-OG 2.7Å; Q462-S520 WeakPolarHBondContact CG-O 3.11Å; Q462-S520 PolarHBondContact NE2-O 2.73Å |
| 521 | L | 87.9 | Confident | 89 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -158.6 | 63.3 | -174.8 | -159.9 | 110.1 | 0 | 0 | 0 | 113.6 | D416 T417 I418 L461 Q462 L465 C560 L563 K564 | D416-L521 VanDerWaalsContact CG-N 3.33Å; D416-L521 WeakPolarHBondContact OD1-CA 3.47Å; D416-L521 PolarHBondContact OD1-N 2.99Å; T417-L521 CarbonylContact O-C 2.91Å; T417-L521 WeakPolarHBondContact O-CA 3.38Å; T417-L521 PolarHBondContact O-N 3.36Å; I418-L521 HydrophobicContact CD1-CB 3.69Å; I418-L521 HydrophobicContact CD1-CD2 4.36Å; I418-L521 HydrophobicContact CG1-CB 3.7Å; L461-L521 HydrophobicContact CB-CD1 4.36Å; Q462-L521 VanDerWaalsContact CA-CD1 3.49Å; Q462-L521 HydrophobicContact CB-CD1 4.32Å; Q462-L521 HydrophobicContact CG-CD1 3.97Å; L465-L521 HydrophobicContact CB-CD1 3.95Å; L465-L521 HydrophobicContact CD2-CD1 3.91Å; L465-L521 HydrophobicContact CD2-CD2 4.13Å; L465-L521 HydrophobicContact CD2-CG 3.83Å; L521-C560 PolarHBondContact O-SG 2.9Å; L521-C560 VanDerWaalsContact O-SG 3.32Å; L521-L563 HydrophobicContact CD2-CB 3.57Å; L521-L563 HydrophobicContact CD2-CD1 4.18Å; L521-K564 WeakPolarHBondContact O-CE 3.43Å |
| 522 | D | 87.2 | Confident | 89.2 | Confident | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.053 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -103 | -78.1 | -176.1 | -164.4 | 25.7 | 0 | 0 | 0 | 117.5 | D416 T417 K419 L525 C560 K564 | D416-D522 PolarHBondContact OD1-N 3.29Å; T417-D522 VanDerWaalsContact O-CB 3.3Å; T417-D522 WeakPolarHBondContact O-CB 3.47Å; T417-D522 PolarHBondContact O-N 3.4Å; T417-D522 WeakPolarHBondContact OG1-CB 3.43Å; T417-D522 PolarHBondContact OG1-OD2 2.85Å; K419-D522 WeakPolarHBondContact CB-OD1 3.46Å; K419-D522 WeakPolarHBondContact CD-OD2 3.27Å; K419-D522 WeakPolarHBondContact CE-OD2 3.45Å; K419-D522 WeakPolarHBondContact CG-OD2 3.44Å; K419-D522 IonicContact NZ-OD2 3.77Å; K419-D522 PolarHBondContact NZ-OD2 2.72Å; D522-L525 WeakPolarHBondContact O-CB 3.46Å; D522-L525 WeakPolarHBondContact O-CD2 3.16Å; D522-C560 PolarHBondContact O-SG 3.5Å; D522-K564 PolarHBondContact O-NZ 2.82Å; D522-K564 VanDerWaalsContact O-NZ 3.08Å; D522-K564 IonicContact OD1-NZ 3.99Å; D522-K564 PolarHBondContact OD1-NZ 3.3Å |
| 523 | T | 87.4 | Confident | 89.3 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 6% | 0.061 | 16% | 0.163 | C | C | . | . | S | Bend | cis | 79.2 | -26.9 | 8.3 | 92.3 | 0 | 0 | 0 | 0 | 123.1 | E415 D416 L525 M526 | E415-T523 CarbonylContact O-C 3.4Å; E415-T523 VanDerWaalsContact O-O 3.12Å; E415-T523 WeakPolarHBondContact OE1-CB 3.46Å; E415-T523 WeakPolarHBondContact OE1-CG2 3.49Å; E415-T523 PolarHBondContact OE1-OG1 3.06Å; D416-T523 WeakPolarHBondContact CA-OG1 3.47Å; D416-T523 PolarHBondContact N-OG1 3.02Å; T523-L525 PolarHBondContact O-N 3.22Å; T523-M526 VanDerWaalsContact C-N 3.35Å; T523-M526 HydrophobicContact CG2-CG 3.86Å; T523-M526 HydrophobicContact CG2-SD 3.45Å; T523-M526 WeakPolarHBondContact CG2-SD 3.19Å; T523-M526 WeakPolarHBondContact O-CB 3.21Å; T523-M526 PolarHBondContact O-N 2.98Å |
| 524 | V | 92.1 | Very high | 89.4 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -36.1 | 144.8 | 135.1 | 0 | 0 | 0 | 0 | 109.1 | E415 D416 L465 Y518 M526 D527 L528 | E415-V524 PolarHBondContact O-N 2.94Å; D416-V524 WeakPolarHBondContact OD1-CA 3.5Å; D416-V524 VanDerWaalsContact OD1-CB 3.27Å; D416-V524 WeakPolarHBondContact OD1-CB 3.44Å; D416-V524 WeakPolarHBondContact OD1-CG2 3.33Å; D416-V524 PolarHBondContact OD1-N 3.21Å; D416-V524 WeakPolarHBondContact OD2-CG2 3.3Å; L465-V524 HydrophobicContact CD2-CG1 3.84Å; Y518-V524 HydrophobicContact CD1-CG2 3.34Å; Y518-V524 HydrophobicContact CD2-CG2 3.84Å; Y518-V524 HydrophobicContact CE1-CG2 3.86Å; Y518-V524 HydrophobicContact CE2-CG2 4.29Å; Y518-V524 HydrophobicContact CG-CG2 3.33Å; V524-M526 PolarHBondContact O-N 2.97Å; V524-D527 PolarHBondContact O-N 3.43Å; V524-D527 VanDerWaalsContact O-N 3.16Å; V524-L528 PolarHBondContact O-N 3.14Å |
| 525 | L | 92.8 | Very high | 89.6 | Confident | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -53.5 | -23.4 | 165.6 | -173 | 64.2 | 0 | 0 | 0 | 113.8 | D522 T523 L528 D529 A556 H557 C560 | D522-L525 WeakPolarHBondContact O-CB 3.46Å; D522-L525 WeakPolarHBondContact O-CD2 3.16Å; T523-L525 PolarHBondContact O-N 3.22Å; L525-L528 HydrophobicContact CD1-CD1 4.42Å; L525-L528 CarbonylContact O-C 3.56Å; L525-L528 WeakPolarHBondContact O-CB 3.04Å; L525-L528 PolarHBondContact O-N 2.95Å; L525-D529 WeakPolarHBondContact O-CB 3.43Å; L525-D529 PolarHBondContact O-N 3.2Å; L525-D529 VanDerWaalsContact O-OD2 3.12Å; L525-A556 VanDerWaalsContact CD1-C 3.42Å; L525-A556 HydrophobicContact CD1-CB 3.36Å; L525-H557 HydrophobicContact CD2-CB 4.3Å; L525-C560 HydrophobicContact CD2-CB 3.93Å |
| 526 | M | 90.2 | Very high | 90 | Very high | 54 Ų | 54 | 24.1 Ų | 24.1 | 27% | 0.266 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -79.7 | -26.9 | 176.4 | -85.1 | -179.9 | 28.2 | 0 | 0 | 112.8 | E415 T523 V524 L528 V530 | E415-M526 WeakPolarHBondContact OE2-CE 3.47Å; T523-M526 VanDerWaalsContact C-N 3.35Å; T523-M526 HydrophobicContact CG2-CG 3.86Å; T523-M526 HydrophobicContact CG2-SD 3.45Å; T523-M526 WeakPolarHBondContact CG2-SD 3.19Å; T523-M526 WeakPolarHBondContact O-CB 3.21Å; T523-M526 PolarHBondContact O-N 2.98Å; V524-M526 PolarHBondContact O-N 2.97Å; M526-L528 VanDerWaalsContact C-N 3.3Å; M526-V530 WeakPolarHBondContact O-CG2 3.46Å; M526-V530 PolarHBondContact O-N 3.14Å |
| 527 | D | 93.6 | Very high | 90.4 | Very high | 13 Ų | 13 | 23.1 Ų | 23.1 | 7% | 0.07 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.6 | -35.5 | 164.7 | -98.5 | 13.4 | 0 | 0 | 0 | 110.2 | P414 L504 I509 K512 Y518 V524 V530 V531 | P414-D527 WeakPolarHBondContact CB-OD1 3.34Å; L504-D527 HydrophobicContact CD2-CB 3.91Å; L504-D527 WeakPolarHBondContact CD2-O 3.42Å; I509-D527 HydrophobicContact CD1-CB 3.98Å; I509-D527 HydrophobicContact CG1-CB 4.1Å; K512-D527 IonicContact NZ-OD1 3.67Å; K512-D527 IonicContact NZ-OD2 3.66Å; K512-D527 PolarHBondContact NZ-OD2 3.16Å; Y518-D527 HydrophobicContact CE1-CB 4.37Å; Y518-D527 VanDerWaalsContact CE1-OD2 3.3Å; Y518-D527 WeakPolarHBondContact CE1-OD2 3.35Å; Y518-D527 VanDerWaalsContact CZ-OD2 3.31Å; Y518-D527 PolarHBondContact OH-OD2 3.1Å; V524-D527 PolarHBondContact O-N 3.43Å; V524-D527 VanDerWaalsContact O-N 3.16Å; D527-V530 PolarHBondContact O-N 2.83Å; D527-V531 WeakPolarHBondContact O-CG2 3.31Å; D527-V531 PolarHBondContact O-N 2.85Å |
| 528 | L | 95 | Very high | 90.7 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.8 | -44.9 | 172.1 | -70.3 | 167.4 | 0 | 0 | 0 | 111.7 | L466 V469 L506 I509 V524 L525 M526 V530 V531 F532 A556 | L466-L528 HydrophobicContact CD1-CD2 4.11Å; V469-L528 HydrophobicContact CG1-CD2 4.24Å; V469-L528 HydrophobicContact CG2-CD1 4.21Å; L506-L528 HydrophobicContact CD2-CD2 3.44Å; L506-L528 VanDerWaalsContact CD2-CD2 3.44Å; I509-L528 HydrophobicContact CD1-CD2 3.63Å; I509-L528 HydrophobicContact CD1-CG 3.97Å; V524-L528 PolarHBondContact O-N 3.14Å; L525-L528 HydrophobicContact CD1-CD1 4.42Å; L525-L528 CarbonylContact O-C 3.56Å; L525-L528 WeakPolarHBondContact O-CB 3.04Å; L525-L528 PolarHBondContact O-N 2.95Å; M526-L528 VanDerWaalsContact C-N 3.3Å; L528-V530 VanDerWaalsContact C-N 3.28Å; L528-V530 PolarHBondContact O-N 3.26Å; L528-V531 WeakPolarHBondContact O-CA 3.17Å; L528-V531 WeakPolarHBondContact O-CB 3.41Å; L528-V531 PolarHBondContact O-N 3.39Å; L528-F532 HydrophobicContact CB-CD2 4.47Å; L528-F532 HydrophobicContact CB-CE2 3.88Å; L528-F532 HydrophobicContact CD2-CZ 4.36Å; L528-F532 WeakPolarHBondContact O-CD2 3.37Å; L528-F532 WeakPolarHBondContact O-CG 3.37Å; L528-F532 PolarHBondContact O-N 3.5Å; L528-A556 HydrophobicContact CD1-CB 4.19Å |
| 529 | D | 94.7 | Very high | 90.8 | Very high | 17 Ų | 17 | 23.8 Ų | 23.8 | 9% | 0.091 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.6 | -40.1 | 174.5 | -68.4 | -40.7 | 0 | 0 | 0 | 110.9 | L525 V531 F532 N533 Q553 H557 | L525-D529 WeakPolarHBondContact O-CB 3.43Å; L525-D529 PolarHBondContact O-N 3.2Å; L525-D529 VanDerWaalsContact O-OD2 3.12Å; D529-V531 VanDerWaalsContact C-N 3.34Å; D529-V531 PolarHBondContact O-N 3.02Å; D529-F532 PolarHBondContact O-N 2.96Å; D529-N533 WeakPolarHBondContact O-CB 3.45Å; D529-N533 PolarHBondContact O-N 2.54Å; D529-N533 PolarHBondContact O-ND2 2.89Å; D529-N533 PolarHBondContact O-OD1 2.71Å; D529-N533 VanDerWaalsContact O-OD1 3.13Å; D529-Q553 WeakPolarHBondContact OD1-CG 3.24Å; D529-Q553 PolarHBondContact OD1-NE2 3.36Å; D529-H557 IonicContact OD1-CD2 2.85Å; D529-H557 IonicContact OD1-CE1 3.78Å; D529-H557 IonicContact OD1-NE2 2.75Å; D529-H557 PolarHBondContact OD1-NE2 3.36Å; D529-H557 IonicContact OD2-CE1 3.13Å; D529-H557 IonicContact OD2-NE2 2.67Å; D529-H557 PolarHBondContact OD2-NE2 3.44Å |
| 530 | V | 92.7 | Very high | 91 | Very high | 30 Ų | 30 | 27.4 Ų | 27.4 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 173.1 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | L504 M526 D527 L528 F532 N534 | L504-V530 HydrophobicContact CB-CG1 3.81Å; L504-V530 HydrophobicContact CD2-CB 4.35Å; L504-V530 HydrophobicContact CD2-CG1 4.2Å; M526-V530 WeakPolarHBondContact O-CG2 3.46Å; M526-V530 PolarHBondContact O-N 3.14Å; D527-V530 PolarHBondContact O-N 2.83Å; L528-V530 VanDerWaalsContact C-N 3.28Å; L528-V530 PolarHBondContact O-N 3.26Å; V530-F532 VanDerWaalsContact C-N 3.32Å; V530-F532 PolarHBondContact O-N 3.16Å; V530-N534 WeakPolarHBondContact O-CB 3.44Å; V530-N534 PolarHBondContact O-N 3.23Å; V530-N534 PolarHBondContact O-ND2 2.97Å; V530-N534 PolarHBondContact O-OD1 2.87Å |
| 531 | V | 94.7 | Very high | 91 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.03 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.4 | -38.2 | 177.4 | 175.6 | 0 | 0 | 0 | 0 | 112.1 | F484 L504 L506 I509 D527 L528 D529 | F484-V531 HydrophobicContact CB-CG1 3.77Å; F484-V531 HydrophobicContact CD1-CG1 3.98Å; F484-V531 HydrophobicContact CG-CG1 4.31Å; L504-V531 HydrophobicContact CB-CG2 4Å; L504-V531 HydrophobicContact CD2-CG2 4.19Å; L504-V531 HydrophobicContact CG-CG2 3.98Å; L506-V531 HydrophobicContact CD2-CB 4.4Å; L506-V531 HydrophobicContact CD2-CG1 3.97Å; L506-V531 HydrophobicContact CG-CG1 4.11Å; I509-V531 HydrophobicContact CD1-CG2 3.82Å; D527-V531 WeakPolarHBondContact O-CG2 3.31Å; D527-V531 PolarHBondContact O-N 2.85Å; L528-V531 WeakPolarHBondContact O-CA 3.17Å; L528-V531 WeakPolarHBondContact O-CB 3.41Å; L528-V531 PolarHBondContact O-N 3.39Å; D529-V531 VanDerWaalsContact C-N 3.34Å; D529-V531 PolarHBondContact O-N 3.02Å |
| 532 | F | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -79.1 | -48.8 | 179.9 | -55.5 | -43.9 | 0 | 0 | 0 | 112.3 | V469 F484 L506 L528 D529 V530 N534 A535 Q536 S549 L552 Q553 A556 | V469-F532 HydrophobicContact CG1-CZ 3.85Å; F484-F532 HydrophobicContact CD1-CD1 4.02Å; F484-F532 HydrophobicContact CD1-CE1 4.35Å; F484-F532 HydrophobicContact CE1-CD1 4.07Å; F484-F532 HydrophobicContact CG-CE1 4.42Å; L506-F532 HydrophobicContact CD2-CZ 4.49Å; L528-F532 HydrophobicContact CB-CD2 4.47Å; L528-F532 HydrophobicContact CB-CE2 3.88Å; L528-F532 HydrophobicContact CD2-CZ 4.36Å; L528-F532 WeakPolarHBondContact O-CD2 3.37Å; L528-F532 WeakPolarHBondContact O-CG 3.37Å; L528-F532 PolarHBondContact O-N 3.5Å; D529-F532 PolarHBondContact O-N 2.96Å; V530-F532 VanDerWaalsContact C-N 3.32Å; V530-F532 PolarHBondContact O-N 3.16Å; F532-N534 VanDerWaalsContact C-N 3.28Å; F532-N534 PolarHBondContact O-N 3.11Å; F532-A535 WeakPolarHBondContact O-CA 3.37Å; F532-A535 WeakPolarHBondContact O-CB 3.47Å; F532-A535 PolarHBondContact O-N 3.11Å; F532-Q536 WeakPolarHBondContact O-CG 3.14Å; F532-Q536 PolarHBondContact O-N 3.21Å; F532-S549 WeakPolarHBondContact CG-O 3.23Å; F532-L552 HydrophobicContact CD1-CB 4.12Å; F532-L552 HydrophobicContact CE1-CB 3.47Å; F532-L552 VanDerWaalsContact CE1-CB 3.47Å; F532-L552 HydrophobicContact CE1-CD1 3.77Å; F532-L552 HydrophobicContact CE1-CG 4.28Å; F532-L552 HydrophobicContact CE2-CB 4.18Å; F532-L552 HydrophobicContact CZ-CB 3.51Å; F532-L552 HydrophobicContact CZ-CD1 4.39Å; F532-Q553 HydrophobicContact CB-CB 4.25Å; F532-Q553 HydrophobicContact CD2-CB 3.6Å; F532-Q553 HydrophobicContact CD2-CG 4.06Å; F532-Q553 HydrophobicContact CE2-CB 4.27Å; F532-Q553 HydrophobicContact CG-CB 4.13Å; F532-A556 HydrophobicContact CE2-CB 4.33Å |
| 533 | N | 93.6 | Very high | 90.7 | Very high | 38 Ų | 38 | 42.4 Ų | 42.4 | 20% | 0.203 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -37.8 | 178 | -62.8 | 1.3 | 0 | 0 | 0 | 111.8 | D529 A535 Q536 Q537 Q553 | D529-N533 WeakPolarHBondContact O-CB 3.45Å; D529-N533 PolarHBondContact O-N 2.54Å; D529-N533 PolarHBondContact O-ND2 2.89Å; D529-N533 PolarHBondContact O-OD1 2.71Å; D529-N533 VanDerWaalsContact O-OD1 3.13Å; N533-A535 PolarHBondContact O-N 3.33Å; N533-Q536 PolarHBondContact O-N 2.57Å; N533-Q537 WeakPolarHBondContact O-CB 3.37Å; N533-Q537 PolarHBondContact O-N 2.95Å; N533-Q553 PolarHBondContact OD1-NE2 2.99Å |
| 534 | N | 92.5 | Very high | 90.6 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 6% | 0.064 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.4 | -36.7 | 173.7 | -74.7 | -5 | 0 | 0 | 0 | 112.2 | I500 N502 L504 V530 F532 Y538 | I500-N534 WeakPolarHBondContact CD1-O 3.47Å; I500-N534 HydrophobicContact CG2-CB 3.76Å; I500-N534 WeakPolarHBondContact CG2-OD1 3.36Å; N502-N534 PolarHBondContact O-ND2 3.41Å; L504-N534 PolarHBondContact N-ND2 3.4Å; V530-N534 WeakPolarHBondContact O-CB 3.44Å; V530-N534 PolarHBondContact O-N 3.23Å; V530-N534 PolarHBondContact O-ND2 2.97Å; V530-N534 PolarHBondContact O-OD1 2.87Å; F532-N534 VanDerWaalsContact C-N 3.28Å; F532-N534 PolarHBondContact O-N 3.11Å; N534-Y538 PolarHBondContact O-N 3.15Å |
| 535 | A | 90.8 | Very high | 90.5 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -75.9 | -37.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F484 F532 N533 Q537 N539 I545 | F484-A535 HydrophobicContact CD1-CB 4.25Å; F484-A535 HydrophobicContact CE1-CB 3.56Å; F532-A535 WeakPolarHBondContact O-CA 3.37Å; F532-A535 WeakPolarHBondContact O-CB 3.47Å; F532-A535 PolarHBondContact O-N 3.11Å; N533-A535 PolarHBondContact O-N 3.33Å; A535-Q537 VanDerWaalsContact C-N 3.29Å; A535-Q537 PolarHBondContact O-N 3.08Å; A535-N539 VanDerWaalsContact O-CB 3.31Å; A535-N539 WeakPolarHBondContact O-CB 3.35Å; A535-N539 PolarHBondContact O-N 3.07Å; A535-N539 PolarHBondContact O-ND2 3.16Å; A535-I545 HydrophobicContact CB-CG2 3.99Å |
| 536 | Q | 93.5 | Very high | 90.4 | Very high | 48 Ų | 48 | 48.3 Ų | 48.3 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.4 | -37 | 174.6 | -65.1 | 166.4 | 12.6 | 0 | 0 | 112.2 | F532 N533 H546 S549 I550 | F532-Q536 WeakPolarHBondContact O-CG 3.14Å; F532-Q536 PolarHBondContact O-N 3.21Å; N533-Q536 PolarHBondContact O-N 2.57Å; Q536-H546 WeakPolarHBondContact CA-ND1 3.32Å; Q536-H546 PolarHBondContact O-CE1 3.12Å; Q536-H546 VanDerWaalsContact O-CE1 3.24Å; Q536-H546 PolarHBondContact O-ND1 2.95Å; Q536-S549 WeakPolarHBondContact CG-OG 3.01Å; Q536-S549 PolarHBondContact NE2-OG 2.77Å; Q536-I550 HydrophobicContact CG-CG1 4.35Å |
| 537 | Q | 91.9 | Very high | 90.5 | Very high | 97 Ų | 97 | 50.4 Ų | 50.4 | 45% | 0.453 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -71.2 | -46.6 | -179.6 | -177 | -176.4 | -22.1 | 0 | 0 | 112.4 | E499 I500 N533 A535 | E499-Q537 PolarHBondContact O-NE2 2.86Å; E499-Q537 VanDerWaalsContact O-NE2 3.12Å; I500-Q537 HydrophobicContact CD1-CB 3.79Å; I500-Q537 HydrophobicContact CD1-CG 3.79Å; N533-Q537 WeakPolarHBondContact O-CB 3.37Å; N533-Q537 PolarHBondContact O-N 2.95Å; A535-Q537 VanDerWaalsContact C-N 3.29Å; A535-Q537 PolarHBondContact O-N 3.08Å |
| 538 | Y | 91.4 | Very high | 90.4 | Very high | 54 Ų | 54 | 50.8 Ų | 50.8 | 21% | 0.212 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -83.6 | -27.3 | -176.2 | 179.8 | -102.8 | 0 | 0 | 0 | 114.2 | Y493 D495 Y496 E499 N534 | Y493-Y538 WeakPolarHBondContact CD1-OH 3Å; D495-Y538 WeakPolarHBondContact OD2-CE2 3.1Å; D495-Y538 PolarHBondContact OD2-OH 3.16Å; Y496-Y538 AromaticContact CD2-CD1 3.64Å; Y496-Y538 HydrophobicContact CD2-CD1 3.64Å; Y496-Y538 AromaticContact CD2-CD2 3.95Å; Y496-Y538 HydrophobicContact CD2-CD2 3.95Å; Y496-Y538 HydrophobicContact CD2-CE1 4.01Å; Y496-Y538 HydrophobicContact CD2-CE2 4.32Å; Y496-Y538 AromaticContact CD2-CG 3.59Å; Y496-Y538 HydrophobicContact CD2-CG 3.59Å; Y496-Y538 HydrophobicContact CE2-CD1 4.31Å; Y496-Y538 HydrophobicContact CE2-CG 4.24Å; E499-Y538 WeakPolarHBondContact OE2-CD2 3.28Å; N534-Y538 PolarHBondContact O-N 3.15Å |
| 539 | N | 88.6 | Confident | 90.3 | Very high | 38 Ų | 38 | 50.7 Ų | 50.7 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -105.6 | 131.9 | -175.7 | -56.2 | -98.2 | 0 | 0 | 0 | 110.5 | A535 S543 I545 H546 | A535-N539 VanDerWaalsContact O-CB 3.31Å; A535-N539 WeakPolarHBondContact O-CB 3.35Å; A535-N539 PolarHBondContact O-N 3.07Å; A535-N539 PolarHBondContact O-ND2 3.16Å; N539-S543 WeakPolarHBondContact CB-OG 3.39Å; N539-I545 HydrophobicContact CB-CG2 4.42Å; N539-H546 HydrophobicContact CB-CB 4.4Å; N539-H546 PolarHBondContact O-ND1 2.98Å |
| 540 | V | 81.9 | Confident | 90.2 | Very high | 114 Ų | 114 | 53.1 Ų | 53.1 | 69% | 0.691 | 28% | 0.279 | S | S | * | . | trans | -52.5 | 141.6 | 173.5 | -82.6 | 0 | 0 | 0 | 0 | 112.6 | Q542 S543 H546 | V540-Q542 PolarHBondContact O-N 3.43Å; V540-S543 VanDerWaalsContact O-CB 3.31Å; V540-S543 WeakPolarHBondContact O-CB 3.31Å; V540-S543 PolarHBondContact O-N 2.85Å; V540-S543 PolarHBondContact O-OG 3.46Å; V540-H546 WeakPolarHBondContact O-CB 3.2Å | ||
| 541 | E | 82.6 | Confident | 90.1 | Very high | 147 Ų | 147 | 56.5 Ų | 56.5 | 69% | 0.687 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -30.4 | -173.8 | -57.7 | -177 | 150.2 | 0 | 0 | 114.6 | S543 | E541-S543 VanDerWaalsContact C-N 3.3Å; E541-S543 PolarHBondContact O-N 2.91Å |
| 542 | Q | 81.1 | Confident | 90.1 | Very high | 165 Ų | 165 | 56.2 Ų | 56.2 | 77% | 0.771 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -12.4 | -179.6 | -59.8 | -70.8 | -28.2 | 0 | 0 | 113.7 | V540 | V540-Q542 PolarHBondContact O-N 3.43Š|
| 543 | S | 88.5 | Confident | 90 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 21% | 0.21 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -79.2 | 148.3 | -175 | 67 | 0 | 0 | 0 | 0 | 112.7 | N539 V540 E541 I545 H546 Q547 | N539-S543 WeakPolarHBondContact CB-OG 3.39Å; V540-S543 VanDerWaalsContact O-CB 3.31Å; V540-S543 WeakPolarHBondContact O-CB 3.31Å; V540-S543 PolarHBondContact O-N 2.85Å; V540-S543 PolarHBondContact O-OG 3.46Å; E541-S543 VanDerWaalsContact C-N 3.3Å; E541-S543 PolarHBondContact O-N 2.91Å; S543-I545 VanDerWaalsContact C-N 3.33Å; S543-I545 PolarHBondContact O-N 3.3Å; S543-H546 PolarHBondContact O-N 3.05Å; S543-H546 VanDerWaalsContact O-N 3.08Å; S543-H546 VanDerWaalsContact OG-CB 3.31Å; S543-H546 WeakPolarHBondContact OG-CB 3.49Å; S543-H546 PolarHBondContact OG-N 3.41Å; S543-Q547 PolarHBondContact O-N 3.02Å |
| 544 | A | 86.1 | Confident | 89.9 | Confident | 67 Ų | 67 | 62.4 Ų | 62.4 | 55% | 0.554 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -53.3 | -49.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H546 Q547 D548 | A544-H546 VanDerWaalsContact C-N 3.26Å; A544-H546 PolarHBondContact O-N 3.36Å; A544-Q547 PolarHBondContact O-N 3.25Å; A544-D548 VanDerWaalsContact O-CB 3.32Å; A544-D548 WeakPolarHBondContact O-CB 3.43Å; A544-D548 PolarHBondContact O-N 3.3Å |
| 545 | I | 88.7 | Confident | 89.9 | Confident | 57 Ų | 57 | 64.4 Ų | 64.4 | 29% | 0.292 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.7 | -37.7 | 177.4 | -69.9 | 177 | 0 | 0 | 0 | 112.6 | P483 F484 A535 N539 S543 S549 | P483-I545 HydrophobicContact CB-CD1 3.95Å; P483-I545 HydrophobicContact CB-CG1 3.92Å; P483-I545 HydrophobicContact CG-CD1 4.37Å; P483-I545 HydrophobicContact CG-CG1 3.95Å; F484-I545 HydrophobicContact CZ-CG2 4.36Å; F484-I545 WeakPolarHBondContact CZ-O 3.45Å; A535-I545 HydrophobicContact CB-CG2 3.99Å; N539-I545 HydrophobicContact CB-CG2 4.42Å; S543-I545 VanDerWaalsContact C-N 3.33Å; S543-I545 PolarHBondContact O-N 3.3Å; I545-S549 WeakPolarHBondContact O-CB 3.41Å; I545-S549 PolarHBondContact O-N 3.04Å; I545-S549 VanDerWaalsContact O-N 3.16Å |
| 546 | H | 91.9 | Very high | 89.9 | Confident | 20 Ų | 20 | 64 Ų | 64 | 9% | 0.093 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.5 | -49.4 | 175.6 | -168.8 | 119.3 | 0 | 0 | 0 | 110.9 | Q536 N539 V540 S543 A544 D548 S549 I550 | Q536-H546 WeakPolarHBondContact CA-ND1 3.32Å; Q536-H546 PolarHBondContact O-CE1 3.12Å; Q536-H546 VanDerWaalsContact O-CE1 3.24Å; Q536-H546 PolarHBondContact O-ND1 2.95Å; N539-H546 HydrophobicContact CB-CB 4.4Å; N539-H546 PolarHBondContact O-ND1 2.98Å; V540-H546 WeakPolarHBondContact O-CB 3.2Å; S543-H546 PolarHBondContact O-N 3.05Å; S543-H546 VanDerWaalsContact O-N 3.08Å; S543-H546 VanDerWaalsContact OG-CB 3.31Å; S543-H546 WeakPolarHBondContact OG-CB 3.49Å; S543-H546 PolarHBondContact OG-N 3.41Å; A544-H546 VanDerWaalsContact C-N 3.26Å; A544-H546 PolarHBondContact O-N 3.36Å; H546-D548 PolarHBondContact O-N 2.85Å; H546-S549 WeakPolarHBondContact O-CB 3.27Å; H546-S549 PolarHBondContact O-N 3.49Å; H546-S549 PolarHBondContact O-OG 3.37Å; H546-I550 PolarHBondContact O-N 2.8Å |
| 547 | Q | 91.3 | Very high | 90 | Very high | 97 Ų | 97 | 65.5 Ų | 65.5 | 45% | 0.453 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 179.5 | -63.1 | -170.3 | 18.9 | 0 | 0 | 112.8 | S543 A544 S549 I550 R551 | S543-Q547 PolarHBondContact O-N 3.02Å; A544-Q547 PolarHBondContact O-N 3.25Å; Q547-S549 VanDerWaalsContact C-N 3.29Å; Q547-S549 PolarHBondContact O-N 3.01Å; Q547-I550 PolarHBondContact O-N 3.33Å; Q547-R551 PolarHBondContact O-N 3.39Å |
| 548 | D | 90.9 | Very high | 89.8 | Confident | 21 Ų | 21 | 68.9 Ų | 68.9 | 11% | 0.112 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | 176.4 | -68.5 | -26.8 | 0 | 0 | 0 | 111.2 | M480 F484 A544 H546 I550 R551 L552 | M480-D548 HydrophobicContact CB-CB 4.49Å; M480-D548 HydrophobicContact CE-CB 3.99Å; M480-D548 WeakPolarHBondContact CE-OD1 3.34Å; F484-D548 HydrophobicContact CE2-CB 3.9Å; F484-D548 HydrophobicContact CZ-CB 4.02Å; A544-D548 VanDerWaalsContact O-CB 3.32Å; A544-D548 WeakPolarHBondContact O-CB 3.43Å; A544-D548 PolarHBondContact O-N 3.3Å; H546-D548 PolarHBondContact O-N 2.85Å; D548-I550 VanDerWaalsContact C-N 3.31Å; D548-I550 PolarHBondContact O-N 3.47Å; D548-R551 PolarHBondContact O-N 3.44Å; D548-L552 VanDerWaalsContact O-CB 3.28Å; D548-L552 WeakPolarHBondContact O-CB 3.25Å; D548-L552 VanDerWaalsContact O-CG 3.26Å; D548-L552 WeakPolarHBondContact O-CG 3.47Å; D548-L552 PolarHBondContact O-N 3.42Å |
| 549 | S | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 178.4 | 81 | 0 | 0 | 0 | 0 | 111.6 | F532 Q536 I545 H546 Q547 Q553 | F532-S549 WeakPolarHBondContact CG-O 3.23Å; Q536-S549 WeakPolarHBondContact CG-OG 3.01Å; Q536-S549 PolarHBondContact NE2-OG 2.77Å; I545-S549 WeakPolarHBondContact O-CB 3.41Å; I545-S549 PolarHBondContact O-N 3.04Å; I545-S549 VanDerWaalsContact O-N 3.16Å; H546-S549 WeakPolarHBondContact O-CB 3.27Å; H546-S549 PolarHBondContact O-N 3.49Å; H546-S549 PolarHBondContact O-OG 3.37Å; Q547-S549 VanDerWaalsContact C-N 3.29Å; Q547-S549 PolarHBondContact O-N 3.01Å; S549-Q553 WeakPolarHBondContact O-CB 3.3Å; S549-Q553 PolarHBondContact O-N 2.77Å |
| 550 | I | 92.4 | Very high | 89.9 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 35% | 0.349 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.8 | -49.1 | 178.4 | -64.7 | 172.3 | 0 | 0 | 0 | 109.8 | Q536 H546 Q547 D548 L552 Q553 E554 | Q536-I550 HydrophobicContact CG-CG1 4.35Å; H546-I550 PolarHBondContact O-N 2.8Å; Q547-I550 PolarHBondContact O-N 3.33Å; D548-I550 VanDerWaalsContact C-N 3.31Å; D548-I550 PolarHBondContact O-N 3.47Å; I550-L552 PolarHBondContact O-N 3.35Å; I550-Q553 WeakPolarHBondContact O-CB 3.45Å; I550-Q553 PolarHBondContact O-N 2.68Å; I550-E554 PolarHBondContact O-N 3.32Å |
| 551 | R | 91.9 | Very high | 90 | Very high | 100 Ų | 100 | 64.9 Ų | 64.9 | 38% | 0.377 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 177.1 | -80.2 | -179.6 | 169.6 | -173.4 | -4.9 | 112.1 | E475 M480 Q547 D548 Q553 E554 I555 | E475-R551 IonicContact OE1-CZ 3.79Å; E475-R551 VanDerWaalsContact OE1-CZ 3.22Å; E475-R551 IonicContact OE1-NH1 3.87Å; E475-R551 PolarHBondContact OE1-NH1 3.42Å; E475-R551 IonicContact OE1-NH2 2.8Å; E475-R551 PolarHBondContact OE1-NH2 3.07Å; M480-R551 HydrophobicContact CE-CB 3.58Å; M480-R551 HydrophobicContact CE-CG 4.24Å; M480-R551 HydrophobicContact SD-CB 4.37Å; Q547-R551 PolarHBondContact O-N 3.39Å; D548-R551 PolarHBondContact O-N 3.44Å; R551-Q553 VanDerWaalsContact C-N 3.33Å; R551-Q553 PolarHBondContact O-N 2.96Å; R551-E554 PolarHBondContact O-N 3.09Å; R551-I555 WeakPolarHBondContact O-CB 3.5Å; R551-I555 WeakPolarHBondContact O-CD1 3.42Å; R551-I555 VanDerWaalsContact O-CG1 3.24Å; R551-I555 WeakPolarHBondContact O-CG1 3.37Å; R551-I555 PolarHBondContact O-N 3.25Å |
| 552 | L | 94.2 | Very high | 90 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.1 | -35.7 | 176.5 | -73.9 | 176.8 | 0 | 0 | 0 | 112.6 | V469 A472 M480 F484 F532 D548 I550 I555 A556 | V469-L552 HydrophobicContact CG1-CD2 4.35Å; V469-L552 WeakPolarHBondContact O-CD2 3.24Å; A472-L552 HydrophobicContact CB-CD2 3.59Å; M480-L552 HydrophobicContact CB-CD1 4.01Å; M480-L552 HydrophobicContact CB-CD2 3.98Å; M480-L552 HydrophobicContact CB-CG 3.99Å; M480-L552 HydrophobicContact SD-CD2 4.38Å; F484-L552 HydrophobicContact CD2-CD1 3.66Å; F484-L552 HydrophobicContact CE2-CD1 3.63Å; F484-L552 HydrophobicContact CG-CD1 4.47Å; F484-L552 HydrophobicContact CZ-CD1 4.4Å; F532-L552 HydrophobicContact CD1-CB 4.12Å; F532-L552 HydrophobicContact CE1-CB 3.47Å; F532-L552 VanDerWaalsContact CE1-CB 3.47Å; F532-L552 HydrophobicContact CE1-CD1 3.77Å; F532-L552 HydrophobicContact CE1-CG 4.28Å; F532-L552 HydrophobicContact CE2-CB 4.18Å; F532-L552 HydrophobicContact CZ-CB 3.51Å; F532-L552 HydrophobicContact CZ-CD1 4.39Å; D548-L552 VanDerWaalsContact O-CB 3.28Å; D548-L552 WeakPolarHBondContact O-CB 3.25Å; D548-L552 VanDerWaalsContact O-CG 3.26Å; D548-L552 WeakPolarHBondContact O-CG 3.47Å; D548-L552 PolarHBondContact O-N 3.42Å; I550-L552 PolarHBondContact O-N 3.35Å; L552-I555 PolarHBondContact O-N 3.13Å; L552-A556 VanDerWaalsContact O-CB 3.27Å; L552-A556 WeakPolarHBondContact O-CB 3.27Å; L552-A556 PolarHBondContact O-N 2.65Å |
| 553 | Q | 93.8 | Very high | 90.2 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 15% | 0.15 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -48.6 | 173.9 | -170.6 | 164 | 38.9 | 0 | 0 | 111.1 | D529 F532 N533 S549 I550 R551 I555 A556 H557 | D529-Q553 WeakPolarHBondContact OD1-CG 3.24Å; D529-Q553 PolarHBondContact OD1-NE2 3.36Å; F532-Q553 HydrophobicContact CB-CB 4.25Å; F532-Q553 HydrophobicContact CD2-CB 3.6Å; F532-Q553 HydrophobicContact CD2-CG 4.06Å; F532-Q553 HydrophobicContact CE2-CB 4.27Å; F532-Q553 HydrophobicContact CG-CB 4.13Å; N533-Q553 PolarHBondContact OD1-NE2 2.99Å; S549-Q553 WeakPolarHBondContact O-CB 3.3Å; S549-Q553 PolarHBondContact O-N 2.77Å; I550-Q553 WeakPolarHBondContact O-CB 3.45Å; I550-Q553 PolarHBondContact O-N 2.68Å; R551-Q553 VanDerWaalsContact C-N 3.33Å; R551-Q553 PolarHBondContact O-N 2.96Å; Q553-I555 PolarHBondContact O-N 3.4Å; Q553-A556 PolarHBondContact O-N 2.79Å; Q553-H557 PolarHBondContact O-CD2 2.98Å; Q553-H557 VanDerWaalsContact O-CD2 3.23Å; Q553-H557 PolarHBondContact O-N 3.37Å |
| 554 | E | 90.6 | Very high | 89.8 | Confident | 136 Ų | 136 | 53.8 Ų | 53.8 | 64% | 0.636 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -58.6 | -45.5 | 174.6 | -70.4 | -168 | 151.6 | 0 | 0 | 112.4 | I550 R551 A556 H557 K558 | I550-E554 PolarHBondContact O-N 3.32Å; R551-E554 PolarHBondContact O-N 3.09Å; E554-A556 VanDerWaalsContact C-N 3.33Å; E554-A556 PolarHBondContact O-N 2.8Å; E554-H557 PolarHBondContact O-N 3.04Å; E554-K558 WeakPolarHBondContact O-CB 3.21Å; E554-K558 PolarHBondContact O-N 2.7Å |
| 555 | I | 91.7 | Very high | 89.1 | Confident | 53 Ų | 53 | 55.6 Ų | 55.6 | 27% | 0.272 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 176.7 | -71.9 | 167 | 0 | 0 | 0 | 110.8 | V468 A472 R551 L552 Q553 K559 | V468-I555 HydrophobicContact CG1-CG2 3.78Å; A472-I555 HydrophobicContact CB-CD1 3.87Å; R551-I555 WeakPolarHBondContact O-CB 3.5Å; R551-I555 WeakPolarHBondContact O-CD1 3.42Å; R551-I555 VanDerWaalsContact O-CG1 3.24Å; R551-I555 WeakPolarHBondContact O-CG1 3.37Å; R551-I555 PolarHBondContact O-N 3.25Å; L552-I555 PolarHBondContact O-N 3.13Å; Q553-I555 PolarHBondContact O-N 3.4Å; I555-K559 WeakPolarHBondContact O-CB 3.41Å; I555-K559 PolarHBondContact O-N 3.26Å |
| 556 | A | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L465 V469 L525 L528 F532 L552 Q553 E554 K559 C560 | L465-A556 WeakPolarHBondContact CD1-O 3.1Å; V469-A556 HydrophobicContact CG2-CB 3.65Å; L525-A556 VanDerWaalsContact CD1-C 3.42Å; L525-A556 HydrophobicContact CD1-CB 3.36Å; L528-A556 HydrophobicContact CD1-CB 4.19Å; F532-A556 HydrophobicContact CE2-CB 4.33Å; L552-A556 VanDerWaalsContact O-CB 3.27Å; L552-A556 WeakPolarHBondContact O-CB 3.27Å; L552-A556 PolarHBondContact O-N 2.65Å; Q553-A556 PolarHBondContact O-N 2.79Å; E554-A556 VanDerWaalsContact C-N 3.33Å; E554-A556 PolarHBondContact O-N 2.8Å; A556-K559 PolarHBondContact O-N 2.96Å; A556-C560 WeakPolarHBondContact O-CB 3.23Å; A556-C560 PolarHBondContact O-N 2.85Å |
| 557 | H | 94.3 | Very high | 86.5 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 178.4 | -85.3 | -102.4 | 0 | 0 | 0 | 111.4 | L525 D529 Q553 E554 C560 V561 | L525-H557 HydrophobicContact CD2-CB 4.3Å; D529-H557 IonicContact OD1-CD2 2.85Å; D529-H557 IonicContact OD1-CE1 3.78Å; D529-H557 IonicContact OD1-NE2 2.75Å; D529-H557 PolarHBondContact OD1-NE2 3.36Å; D529-H557 IonicContact OD2-CE1 3.13Å; D529-H557 IonicContact OD2-NE2 2.67Å; D529-H557 PolarHBondContact OD2-NE2 3.44Å; Q553-H557 PolarHBondContact O-CD2 2.98Å; Q553-H557 VanDerWaalsContact O-CD2 3.23Å; Q553-H557 PolarHBondContact O-N 3.37Å; E554-H557 PolarHBondContact O-N 3.04Å; H557-C560 WeakPolarHBondContact O-CB 3.22Å; H557-C560 PolarHBondContact O-N 3.49Å; H557-V561 PolarHBondContact O-N 3.35Å |
| 558 | K | 89.2 | Confident | 84.8 | Confident | 168 Ų | 168 | 55.6 Ų | 55.6 | 73% | 0.73 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.3 | -48.7 | 177 | -175.4 | 176.3 | -179.4 | 178.4 | 0 | 112 | E554 V561 E562 | E554-K558 WeakPolarHBondContact O-CB 3.21Å; E554-K558 PolarHBondContact O-N 2.7Å; K558-V561 PolarHBondContact O-N 2.91Å; K558-E562 PolarHBondContact O-N 2.91Å |
| 559 | K | 91 | Very high | 82.6 | Confident | 40 Ų | 40 | 57.8 Ų | 57.8 | 17% | 0.174 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.6 | -33.7 | -178.8 | -163.4 | 73.1 | -167.8 | 179.4 | 0 | 112.6 | L465 V468 I555 A556 V561 E562 L563 | L465-K559 HydrophobicContact CD1-CB 4.01Å; L465-K559 HydrophobicContact CD1-CG 4.41Å; V468-K559 HydrophobicContact CB-CB 4.49Å; V468-K559 HydrophobicContact CB-CD 4.32Å; V468-K559 HydrophobicContact CB-CG 3.94Å; V468-K559 HydrophobicContact CG1-CB 4.15Å; V468-K559 HydrophobicContact CG1-CD 4.06Å; V468-K559 HydrophobicContact CG1-CG 3.95Å; V468-K559 HydrophobicContact CG2-CD 3.9Å; V468-K559 HydrophobicContact CG2-CG 3.9Å; I555-K559 WeakPolarHBondContact O-CB 3.41Å; I555-K559 PolarHBondContact O-N 3.26Å; A556-K559 PolarHBondContact O-N 2.96Å; K559-V561 PolarHBondContact O-N 3.12Å; K559-E562 WeakPolarHBondContact CD-OE2 3.38Å; K559-E562 WeakPolarHBondContact CE-OE1 3.46Å; K559-E562 WeakPolarHBondContact CE-OE2 3.48Å; K559-E562 IonicContact NZ-OE1 3.57Å; K559-E562 PolarHBondContact NZ-OE1 2.9Å; K559-E562 IonicContact NZ-OE2 2.73Å; K559-E562 PolarHBondContact NZ-OE2 3.47Å; K559-E562 PolarHBondContact O-N 3.16Å; K559-L563 HydrophobicContact CG-CD1 4.14Å; K559-L563 WeakPolarHBondContact O-CG 3.28Å; K559-L563 PolarHBondContact O-N 3.31Å |
| 560 | C | 90.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.4 | -51.6 | 171.7 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | L465 L521 D522 L525 A556 H557 E562 L563 K564 | L465-C560 HydrophobicContact CD1-CB 4.06Å; L465-C560 HydrophobicContact CD2-CB 4.14Å; L521-C560 PolarHBondContact O-SG 2.9Å; L521-C560 VanDerWaalsContact O-SG 3.32Å; D522-C560 PolarHBondContact O-SG 3.5Å; L525-C560 HydrophobicContact CD2-CB 3.93Å; A556-C560 WeakPolarHBondContact O-CB 3.23Å; A556-C560 PolarHBondContact O-N 2.85Å; H557-C560 WeakPolarHBondContact O-CB 3.22Å; H557-C560 PolarHBondContact O-N 3.49Å; C560-E562 VanDerWaalsContact C-N 3.34Å; C560-E562 PolarHBondContact O-N 3.21Å; C560-L563 PolarHBondContact O-N 2.83Å; C560-K564 WeakPolarHBondContact O-CG 3.45Å; C560-K564 PolarHBondContact O-N 3.41Å; C560-K564 WeakPolarHBondContact SG-CE 3.27Å; C560-K564 PolarHBondContact SG-NZ 3.13Å |
| 561 | V | 83.4 | Confident | 77.7 | Confident | 81 Ų | 81 | 67.8 Ų | 67.8 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 178.7 | 175.5 | 0 | 0 | 0 | 0 | 113.3 | H557 K558 K559 K564 N565 | H557-V561 PolarHBondContact O-N 3.35Å; K558-V561 PolarHBondContact O-N 2.91Å; K559-V561 PolarHBondContact O-N 3.12Å; V561-K564 PolarHBondContact O-N 3.46Å; V561-N565 PolarHBondContact O-N 2.96Å; V561-N565 PolarHBondContact O-ND2 2.68Å |
| 562 | E | 83.8 | Confident | 74.9 | Confident | 93 Ų | 93 | 68.8 Ų | 68.8 | 44% | 0.435 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 174.2 | -168.5 | -161.8 | 121 | 0 | 0 | 112.2 | K558 K559 C560 N565 S566 | K558-E562 PolarHBondContact O-N 2.91Å; K559-E562 WeakPolarHBondContact CD-OE2 3.38Å; K559-E562 WeakPolarHBondContact CE-OE1 3.46Å; K559-E562 WeakPolarHBondContact CE-OE2 3.48Å; K559-E562 IonicContact NZ-OE1 3.57Å; K559-E562 PolarHBondContact NZ-OE1 2.9Å; K559-E562 IonicContact NZ-OE2 2.73Å; K559-E562 PolarHBondContact NZ-OE2 3.47Å; K559-E562 PolarHBondContact O-N 3.16Å; C560-E562 VanDerWaalsContact C-N 3.34Å; C560-E562 PolarHBondContact O-N 3.21Å; E562-N565 PolarHBondContact O-N 3.18Å; E562-S566 PolarHBondContact O-N 3.1Å; E562-S566 PolarHBondContact O-OG 2.81Å |
| 563 | L | 84.5 | Confident | 71.7 | Confident | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.005 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -72 | -30.4 | 179.8 | -65.9 | 168.2 | 0 | 0 | 0 | 112.1 | L461 K464 L465 L521 K559 C560 N565 S566 E567 | L461-L563 HydrophobicContact CD2-CD2 3.85Å; K464-L563 HydrophobicContact CB-CD1 4.41Å; K464-L563 HydrophobicContact CB-CD2 4.32Å; K464-L563 HydrophobicContact CD-CD2 3.94Å; K464-L563 HydrophobicContact CG-CD2 4.23Å; L465-L563 HydrophobicContact CB-CD1 3.68Å; L465-L563 HydrophobicContact CD1-CD1 4.47Å; L521-L563 HydrophobicContact CD2-CB 3.57Å; L521-L563 HydrophobicContact CD2-CD1 4.18Å; K559-L563 HydrophobicContact CG-CD1 4.14Å; K559-L563 WeakPolarHBondContact O-CG 3.28Å; K559-L563 PolarHBondContact O-N 3.31Å; C560-L563 PolarHBondContact O-N 2.83Å; L563-N565 VanDerWaalsContact C-N 3.33Å; L563-N565 PolarHBondContact O-N 3.18Å; L563-S566 WeakPolarHBondContact O-CB 3.3Å; L563-S566 PolarHBondContact O-N 3.36Å; L563-S566 VanDerWaalsContact O-N 3.12Å; L563-E567 PolarHBondContact O-N 3.15Å |
| 564 | K | 79.4 | Confident | 68.6 | Low | 16 Ų | 16 | 81.5 Ų | 81.5 | 7% | 0.07 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -55.7 | -45.9 | 169.8 | -70.4 | 178.8 | -179.9 | 160.4 | 0 | 112.1 | I418 L521 D522 C560 V561 S566 | I418-K564 HydrophobicContact CB-CG 4.1Å; I418-K564 HydrophobicContact CD1-CB 4.39Å; I418-K564 HydrophobicContact CD1-CG 3.95Å; I418-K564 HydrophobicContact CG1-CG 3.85Å; I418-K564 HydrophobicContact CG2-CB 3.7Å; I418-K564 HydrophobicContact CG2-CD 4.27Å; I418-K564 HydrophobicContact CG2-CG 3.6Å; L521-K564 WeakPolarHBondContact O-CE 3.43Å; D522-K564 PolarHBondContact O-NZ 2.82Å; D522-K564 VanDerWaalsContact O-NZ 3.08Å; D522-K564 IonicContact OD1-NZ 3.99Å; D522-K564 PolarHBondContact OD1-NZ 3.3Å; C560-K564 WeakPolarHBondContact O-CG 3.45Å; C560-K564 PolarHBondContact O-N 3.41Å; C560-K564 WeakPolarHBondContact SG-CE 3.27Å; C560-K564 PolarHBondContact SG-NZ 3.13Å; V561-K564 PolarHBondContact O-N 3.46Å; K564-S566 VanDerWaalsContact C-N 3.3Å; K564-S566 PolarHBondContact O-N 2.98Å |
| 565 | N | 71.1 | Confident | 65.7 | Low | 105 Ų | 105 | 81.8 Ų | 81.8 | 56% | 0.561 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -70.9 | -28.6 | 178.1 | -58.7 | -25.8 | 0 | 0 | 0 | 112 | V561 E562 L563 | V561-N565 PolarHBondContact O-N 2.96Å; V561-N565 PolarHBondContact O-ND2 2.68Å; E562-N565 PolarHBondContact O-N 3.18Å; L563-N565 VanDerWaalsContact C-N 3.33Å; L563-N565 PolarHBondContact O-N 3.18Å |
| 566 | S | 67.6 | Low | 62.9 | Low | 45 Ų | 45 | 86 Ų | 86 | 32% | 0.315 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -74.3 | -32.6 | 178 | -55.8 | 0 | 0 | 0 | 0 | 113.5 | E562 L563 K564 A569 | E562-S566 PolarHBondContact O-N 3.1Å; E562-S566 PolarHBondContact O-OG 2.81Å; L563-S566 WeakPolarHBondContact O-CB 3.3Å; L563-S566 PolarHBondContact O-N 3.36Å; L563-S566 VanDerWaalsContact O-N 3.12Å; K564-S566 VanDerWaalsContact C-N 3.3Å; K564-S566 PolarHBondContact O-N 2.98Å; S566-A569 PolarHBondContact O-N 3.3Å |
| 567 | E | 59.8 | Low | 59.9 | Low | 32 Ų | 32 | 91.9 Ų | 91.9 | 15% | 0.15 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 179.2 | -170.6 | 161 | -91.8 | 0 | 0 | 112.3 | I418 H458 L461 L563 A569 L570 | I418-E567 HydrophobicContact CD1-CB 3.9Å; I418-E567 VanDerWaalsContact CD1-CD 3.43Å; I418-E567 HydrophobicContact CD1-CG 4.27Å; I418-E567 WeakPolarHBondContact CD1-OE2 3.2Å; H458-E567 IonicContact CE1-OE1 2.83Å; H458-E567 PolarHBondContact CE1-OE1 2.84Å; H458-E567 VanDerWaalsContact CE1-OE1 3.22Å; H458-E567 IonicContact CE1-OE2 3.38Å; H458-E567 PolarHBondContact CE1-OE2 3.46Å; H458-E567 IonicContact CG-OE1 3.34Å; H458-E567 VanDerWaalsContact ND1-CD 3.3Å; H458-E567 IonicContact ND1-OE1 2.71Å; H458-E567 PolarHBondContact ND1-OE1 3.27Å; H458-E567 IonicContact ND1-OE2 3.51Å; L461-E567 HydrophobicContact CD1-CB 3.74Å; L461-E567 HydrophobicContact CD1-CG 3.8Å; L461-E567 WeakPolarHBondContact CD1-OE1 3.1Å; L563-E567 PolarHBondContact O-N 3.15Å; E567-A569 PolarHBondContact O-N 2.89Å; E567-L570 PolarHBondContact O-N 3.26Å; E567-L570 VanDerWaalsContact O-N 3.12Å |
| 568 | I | 54.2 | Low | 56.6 | Low | 96 Ų | 96 | 94.7 Ų | 94.7 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -35.6 | 177.2 | -62.5 | 169.2 | 0 | 0 | 0 | 110.8 | L570 | I568-L570 VanDerWaalsContact C-N 3.35Å; I568-L570 PolarHBondContact O-N 3.43Å |
| 569 | A | 46.6 | Very low | 53.9 | Low | 67 Ų | 67 | 93 Ų | 93 | 55% | 0.554 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -72.1 | -23 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | S566 E567 | S566-A569 PolarHBondContact O-N 3.3Å; E567-A569 PolarHBondContact O-N 2.89Å |
| 570 | L | 42.3 | Very low | 51.1 | Low | 125 Ų | 125 | 97.4 Ų | 97.4 | 65% | 0.654 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -84.8 | -10.8 | -179.4 | -71.2 | 173.6 | 0 | 0 | 0 | 113.9 | E567 I568 I572 | E567-L570 PolarHBondContact O-N 3.26Å; E567-L570 VanDerWaalsContact O-N 3.12Å; I568-L570 VanDerWaalsContact C-N 3.35Å; I568-L570 PolarHBondContact O-N 3.43Å; L570-I572 VanDerWaalsContact C-N 3.33Å |
| 571 | N | 38.7 | Very low | 48.3 | Very low | 154 Ų | 154 | 102.2 Ų | 102.2 | 82% | 0.824 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 5.4 | 175.7 | -113.4 | -19.3 | 0 | 0 | 0 | 113.4 | ||
| 572 | I | 33.2 | Very low | 45.8 | Very low | 121 Ų | 121 | 107.7 Ų | 107.7 | 62% | 0.621 | 59% | 0.591 | S | S | * | * | trans | -122.4 | 107.7 | 176.1 | -58.8 | 174.6 | 0 | 0 | 0 | 108.1 | L570 P574 | L570-I572 VanDerWaalsContact C-N 3.33Å; I572-P574 WeakPolarHBondContact O-CD 3.42Å | ||
| 573 | K | 26.8 | Very low | 43.2 | Very low | 182 Ų | 182 | 108 Ų | 108 | 79% | 0.791 | 60% | 0.604 | S | S | * | * | trans | -74.8 | 124 | 157.8 | -95 | -168.9 | 167.9 | -164.3 | 0 | 108.3 | ||||
| 574 | P | 30 | Very low | 40.8 | Very low | 117 Ų | 117 | 112.8 Ų | 112.8 | 76% | 0.76 | 64% | 0.635 | S | S | * | * | trans | -83.7 | 115.3 | 159.3 | 32.1 | -27.8 | 0 | 0 | 0 | 108.6 | I572 | I572-P574 WeakPolarHBondContact O-CD 3.42Š| ||
| 575 | D | 30.1 | Very low | 38.4 | Very low | 141 Ų | 141 | 119.4 Ų | 119.4 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | trans | -81.4 | 129.1 | 167.1 | -75.1 | -37.6 | 0 | 0 | 0 | 109.9 | ||||
| 576 | N | 32 | Very low | 36.4 | Very low | 141 Ų | 141 | 117.3 Ų | 117.3 | 75% | 0.754 | 67% | 0.674 | S | S | * | * | trans | 56.9 | 105.8 | 164.1 | -147.8 | 50 | 0 | 0 | 0 | 119.4 | ||||
| 577 | P | 28.8 | Very low | 34.5 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 81% | 0.805 | 69% | 0.694 | S | S | * | * | trans | -94.2 | 104.2 | 172.6 | 34.8 | -28.4 | 0 | 0 | 0 | 112.1 | ||||
| 578 | D | 26.7 | Very low | 32.8 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | trans | -147.1 | 151.1 | 167.5 | -118.9 | -38 | 0 | 0 | 0 | 111.9 | ||||
| 579 | T | 31 | Very low | 31.4 | Very low | 132 Ų | 132 | 128 Ų | 128 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | trans | 69.7 | 74.9 | -179.6 | -37.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 580 | V | 32.9 | Very low | 30.4 | Very low | 132 Ų | 132 | 130 Ų | 130 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | -74.6 | 164.9 | 134.7 | -71.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 581 | P | 31.7 | Very low | 29.6 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | cis | -139.4 | 170.1 | 17.3 | 41.8 | -23.6 | 0 | 0 | 0 | 116.9 | ||||
| 582 | F | 30.5 | Very low | 28.9 | Very low | 196 Ų | 196 | 127.2 Ų | 127.2 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | -171.3 | 160.7 | 110.7 | -114.3 | -85.2 | 0 | 0 | 0 | 112.2 | |||||
| 583 | S | 28.8 | Very low | 28.4 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -154.9 | 177.2 | -175 | -119.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 584 | P | 35.7 | Very low | 28.3 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | cis | -134.8 | -138 | -15.4 | 36.6 | -14.1 | 0 | 0 | 0 | 110.8 | ||||
| 585 | N | 28.6 | Very low | 28.1 | Very low | 154 Ų | 154 | 123.3 Ų | 123.3 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | 78.3 | 138.1 | 173.2 | -54.7 | -22.1 | 0 | 0 | 0 | 116 | ||||
| 586 | G | 28.7 | Very low | 27.9 | Very low | 61 Ų | 61 | 122.1 Ų | 122.1 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | cis | -160 | 150.5 | -3.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 587 | S | 26.7 | Very low | 27.6 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | 60.3 | 131.6 | 78.5 | 78.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 588 | N | 25.5 | Very low | 27.3 | Very low | 142 Ų | 142 | 118.8 Ų | 118.8 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | cis | -172.9 | -169.4 | -1 | -118.4 | -15.8 | 0 | 0 | 0 | 109.4 | ||||
| 589 | L | 25.3 | Very low | 27.2 | Very low | 150 Ų | 150 | 114.1 Ų | 114.1 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | trans | 81.8 | 139.5 | 154.3 | -61.7 | 122.2 | 0 | 0 | 0 | 119.3 | ||||
| 590 | T | 23.7 | Very low | 26.9 | Very low | 109 Ų | 109 | 114.5 Ų | 114.5 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | cis | 174.2 | 162.7 | -32.9 | 32.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 591 | V | 25.8 | Very low | 26.5 | Very low | 130 Ų | 130 | 114.4 Ų | 114.4 | 79% | 0.788 | 69% | 0.688 | S | S | * | * | trans | 72.2 | 136.2 | 140.6 | 155.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 592 | S | 23.6 | Very low | 26.1 | Very low | 92 Ų | 92 | 120.1 Ų | 120.1 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | cis | -170.6 | 155.3 | -5.5 | -114.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 593 | S | 23 | Very low | 25.9 | Very low | 103 Ų | 103 | 115 Ų | 115 | 72% | 0.72 | 68% | 0.684 | S | S | * | * | trans | 63.8 | 159.7 | 140.7 | -48.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 594 | T | 25.1 | Very low | 25.8 | Very low | 120 Ų | 120 | 118.8 Ų | 118.8 | 74% | 0.736 | 69% | 0.69 | S | S | * | * | cis | -159.6 | 142.4 | 14.9 | -21.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 595 | T | 26.9 | Very low | 25.3 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | 65.6 | 119.5 | 146 | 41.4 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 596 | L | 25 | Very low | 25.2 | Very low | 116 Ų | 116 | 121.6 Ų | 121.6 | 61% | 0.607 | 69% | 0.687 | S | S | * | * | trans | 69.8 | 167.9 | 143.6 | -47.8 | 176.6 | 0 | 0 | 0 | 119.7 | I1982 A1983 | L596-I1982 HydrophobicContact CD2-CD1 4.44Å; L596-I1982 HydrophobicContact CD2-CG1 3.95Å; L596-I1982 HydrophobicContact CD2-CG2 4.25Å; L596-A1983 HydrophobicContact CD2-CB 3.5Å; L596-A1983 VanDerWaalsContact CD2-CB 3.5Å | ||
| 597 | S | 24.9 | Very low | 25.1 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | cis | -150.2 | 170 | 5.2 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | P1984 | S597-P1984 WeakPolarHBondContact O-CD 3.33Å; S597-P1984 WeakPolarHBondContact O-CG 3.49Å | ||
| 598 | E | 23.1 | Very low | 25.2 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 51% | 0.505 | 70% | 0.696 | S | S | . | * | trans | -35.6 | 147.4 | -164.6 | -83.3 | 73.8 | 173.9 | 0 | 0 | 120.3 | A1983 | E598-A1983 VanDerWaalsContact CD-N 3.31Å; E598-A1983 PolarHBondContact OE1-N 2.7Å | ||
| 599 | G | 25.8 | Very low | 25.6 | Very low | 43 Ų | 43 | 125.7 Ų | 125.7 | 44% | 0.443 | 69% | 0.691 | S | S | . | * | cis | -173.8 | 144 | 4.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | N1985 | G599-N1985 VanDerWaalsContact C-CG 3.43Å; G599-N1985 PolarHBondContact N-ND2 3.48Å; G599-N1985 PolarHBondContact O-ND2 2.82Å | ||
| 600 | I | 24.5 | Very low | 25.7 | Very low | 140 Ų | 140 | 125.5 Ų | 125.5 | 72% | 0.718 | 69% | 0.69 | S | S | * | * | trans | 62.1 | 136.1 | 161 | -63.9 | 175.2 | 0 | 0 | 0 | 124.6 | N1985 | I600-N1985 WeakPolarHBondContact CA-OD1 3.35Å; I600-N1985 PolarHBondContact N-OD1 3.39Å | ||
| 601 | N | 24 | Very low | 25.9 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | trans | 89.1 | 152.1 | 155.2 | -98.1 | -37.4 | 0 | 0 | 0 | 124.8 | ||||
| 602 | Y | 22.9 | Very low | 26.3 | Very low | 221 Ų | 221 | 130.5 Ų | 130.5 | 87% | 0.867 | 68% | 0.683 | S | S | * | * | trans | -84.1 | 142.1 | -158.5 | -69.8 | -91.7 | 0 | 0 | 0 | 117.9 | ||||
| 603 | P | 26.6 | Very low | 26.8 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 57% | 0.565 | 69% | 0.688 | S | S | * | * | trans | -106.9 | 145.1 | 159.9 | 36.6 | -29.6 | 0 | 0 | 0 | 114.9 | ||||
| 604 | Q | 26.3 | Very low | 27.2 | Very low | 181 Ų | 181 | 129.6 Ų | 129.6 | 85% | 0.846 | 68% | 0.683 | S | S | * | * | trans | -57.7 | 150.8 | 169.2 | 167 | -171.6 | 62.7 | 0 | 0 | 114.5 | ||||
| 605 | Y | 25.8 | Very low | 27.5 | Very low | 192 Ų | 192 | 127.6 Ų | 127.6 | 75% | 0.753 | 67% | 0.668 | S | S | * | * | trans | -144.4 | 154.3 | 157 | -101.2 | -80.2 | 0 | 0 | 0 | 112.9 | ||||
| 606 | D | 26.3 | Very low | 27.9 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 66% | 0.658 | 67% | 0.674 | S | S | * | * | trans | -135.9 | 162.5 | 175.7 | -178 | 29.9 | 0 | 0 | 0 | 110.1 | ||||
| 607 | Q | 26.3 | Very low | 28.4 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 76% | 0.757 | 68% | 0.682 | S | S | * | * | trans | 85.9 | 170.7 | 168.9 | -44.3 | -161.5 | 10.2 | 0 | 0 | 118.2 | ||||
| 608 | T | 28.8 | Very low | 29.4 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 80% | 0.798 | 68% | 0.676 | S | S | * | * | trans | -139.4 | -163.8 | -142.3 | 56.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 609 | P | 34.8 | Very low | 31.4 | Very low | 101 Ų | 101 | 130 Ų | 130 | 66% | 0.656 | 67% | 0.671 | S | S | * | * | cis | -151.8 | -164.7 | 12.5 | 42.2 | -17.4 | 0 | 0 | 0 | 119.2 | ||||
| 610 | L | 26.4 | Very low | 33.3 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 76% | 0.764 | 69% | 0.686 | S | S | * | * | trans | 74.8 | 113.3 | 157.9 | -69.3 | 162.8 | 0 | 0 | 0 | 118.7 | ||||
| 611 | R | 28.8 | Very low | 35.5 | Very low | 231 Ų | 231 | 134.8 Ų | 134.8 | 87% | 0.872 | 68% | 0.679 | S | S | * | * | -151.9 | 179.8 | 57.4 | -96.6 | -172 | 171.1 | -159.4 | -2.1 | 114.1 | |||||
| 612 | R | 33.4 | Very low | 37.8 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 43% | 0.43 | 67% | 0.666 | S | S | . | * | trans | -104.6 | 179.4 | -169.4 | -62.4 | 178.8 | 178.4 | -174.3 | 8.2 | 111.3 | R424 E425 | R424-R612 HydrophobicContact CB-CG 4.21Å; R424-R612 VanDerWaalsContact O-CD 3.31Å; R424-R612 WeakPolarHBondContact O-CD 3.39Å; E425-R612 PolarHBondContact O-NH1 3.04Å | ||
| 613 | P | 33.7 | Very low | 40.2 | Very low | 116 Ų | 116 | 124 Ų | 124 | 75% | 0.753 | 64% | 0.639 | S | S | * | * | cis | -143.2 | 174.8 | 14.4 | 43.7 | -24.5 | 0 | 0 | 0 | 118.8 | ||||
| 614 | G | 31.8 | Very low | 42.7 | Very low | 59 Ų | 59 | 120.8 Ų | 120.8 | 61% | 0.608 | 62% | 0.618 | S | S | * | * | trans | 163 | 123.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 615 | N | 31 | Very low | 45.4 | Very low | 79 Ų | 79 | 115.5 Ų | 115.5 | 42% | 0.422 | 60% | 0.595 | S | S | . | * | trans | -113.5 | 135.3 | -168.4 | -72 | 22.3 | 0 | 0 | 0 | 114.1 | E425 | E425-N615 WeakPolarHBondContact CA-OD1 3.31Š| ||
| 616 | Q | 36.5 | Very low | 48.1 | Very low | 178 Ų | 178 | 111.2 Ų | 111.2 | 83% | 0.832 | 58% | 0.58 | S | S | * | * | trans | -129.8 | 143.1 | 146.3 | -69.1 | -175.1 | -1.4 | 0 | 0 | 107.9 | V618 | Q616-V618 PolarHBondContact O-N 3Š| ||
| 617 | I | 35 | Very low | 51 | Low | 151 Ų | 151 | 109 Ų | 109 | 77% | 0.774 | 56% | 0.563 | S | S | * | * | trans | -76.5 | 112.5 | -176.8 | -62.2 | 169.8 | 0 | 0 | 0 | 108.3 | ||||
| 618 | V | 45 | Very low | 54 | Low | 78 Ų | 78 | 101.6 Ų | 101.6 | 47% | 0.473 | 53% | 0.528 | S | S | . | . | trans | -76.1 | 126.9 | 176 | 176.5 | 0 | 0 | 0 | 0 | 109 | Q616 E622 A623 | Q616-V618 PolarHBondContact O-N 3Å; V618-E622 HydrophobicContact CG1-CB 3.71Å; V618-A623 HydrophobicContact CG1-CB 4.34Å | ||
| 619 | T | 65.1 | Low | 56.8 | Low | 68 Ų | 68 | 98.3 Ų | 98.3 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | trans | -73.8 | 158.6 | 177.4 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | E621 E622 A623 | T619-E621 PolarHBondContact O-N 3.34Å; T619-E622 PolarHBondContact O-N 3.39Å; T619-E622 VanDerWaalsContact O-N 3.16Å; T619-E622 PolarHBondContact OG1-N 2.93Å; T619-A623 PolarHBondContact O-N 3.33Å | ||
| 620 | E | 65.6 | Low | 59.3 | Low | 161 Ų | 161 | 96 Ų | 96 | 75% | 0.752 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.8 | -32.1 | 176.6 | -173.8 | 167.8 | -155 | 0 | 0 | 112.7 | A623 T624 | E620-A623 PolarHBondContact O-N 2.97Å; E620-T624 WeakPolarHBondContact O-CB 3.29Å; E620-T624 PolarHBondContact O-N 2.88Å; E620-T624 PolarHBondContact O-OG1 2.7Å |
| 621 | E | 70.6 | Confident | 62.3 | Low | 123 Ų | 123 | 89.1 Ų | 89.1 | 58% | 0.575 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -58.8 | -50.8 | 171.2 | -169.5 | 175.6 | -166.5 | 0 | 0 | 110.5 | R410 T619 T624 L625 | R410-E621 IonicContact CZ-OE1 3.86Å; R410-E621 IonicContact CZ-OE2 2.75Å; R410-E621 IonicContact NH1-OE1 3.37Å; R410-E621 PolarHBondContact NH1-OE1 2.78Å; R410-E621 IonicContact NH1-OE2 3.53Å; R410-E621 PolarHBondContact NH1-OE2 2.94Å; R410-E621 IonicContact NH2-OE2 3.85Å; T619-E621 PolarHBondContact O-N 3.34Å; E621-T624 PolarHBondContact O-N 3.47Å; E621-L625 PolarHBondContact O-N 3.39Å |
| 622 | E | 72.5 | Confident | 65.4 | Low | 88 Ų | 88 | 79 Ų | 79 | 41% | 0.411 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 175.4 | -78.8 | -174.5 | -147.2 | 0 | 0 | 113.5 | V618 T619 T624 L625 K626 | V618-E622 HydrophobicContact CG1-CB 3.71Å; T619-E622 PolarHBondContact O-N 3.39Å; T619-E622 VanDerWaalsContact O-N 3.16Å; T619-E622 PolarHBondContact OG1-N 2.93Å; E622-T624 PolarHBondContact O-N 2.92Å; E622-L625 PolarHBondContact O-N 3.19Å; E622-K626 VanDerWaalsContact O-CB 3.32Å; E622-K626 WeakPolarHBondContact O-CB 3.42Å; E622-K626 WeakPolarHBondContact O-CD 3.35Å; E622-K626 WeakPolarHBondContact O-CG 3.18Å; E622-K626 PolarHBondContact O-N 2.95Å; E622-K626 IonicContact OE2-NZ 3.89Å; E622-K626 PolarHBondContact OE2-NZ 3.29Å |
| 623 | A | 73.8 | Confident | 68 | Low | 37 Ų | 37 | 77.1 Ų | 77.1 | 31% | 0.306 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.6 | -32.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V618 T619 E620 R627 | V618-A623 HydrophobicContact CG1-CB 4.34Å; T619-A623 PolarHBondContact O-N 3.33Å; E620-A623 PolarHBondContact O-N 2.97Å; A623-R627 WeakPolarHBondContact O-CG 3.44Å; A623-R627 PolarHBondContact O-N 3.27Å; A623-R627 PolarHBondContact O-NE 3.49Å |
| 624 | T | 80.2 | Confident | 70.7 | Confident | 18 Ų | 18 | 73 Ų | 73 | 11% | 0.11 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -76.8 | -44.5 | 176.7 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | E620 E621 E622 K626 R627 L628 | E620-T624 WeakPolarHBondContact O-CB 3.29Å; E620-T624 PolarHBondContact O-N 2.88Å; E620-T624 PolarHBondContact O-OG1 2.7Å; E621-T624 PolarHBondContact O-N 3.47Å; E622-T624 PolarHBondContact O-N 2.92Å; T624-K626 VanDerWaalsContact C-N 3.31Å; T624-K626 PolarHBondContact O-N 2.87Å; T624-R627 WeakPolarHBondContact O-CB 3.34Å; T624-R627 PolarHBondContact O-N 3.16Å; T624-R627 PolarHBondContact OG1-NH2 3.28Å; T624-L628 HydrophobicContact CG2-CD1 4.3Å; T624-L628 WeakPolarHBondContact O-CG 3.41Å; T624-L628 PolarHBondContact O-N 3.29Å |
| 625 | L | 82.9 | Confident | 73.5 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 37% | 0.372 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.6 | -41 | 172.7 | -174.4 | 61.8 | 0 | 0 | 0 | 112.2 | E621 E622 R627 L628 Q629 | E621-L625 PolarHBondContact O-N 3.39Å; E622-L625 PolarHBondContact O-N 3.19Å; L625-R627 VanDerWaalsContact C-N 3.29Å; L625-R627 PolarHBondContact O-N 3.04Å; L625-L628 PolarHBondContact O-N 3.33Å; L625-Q629 HydrophobicContact CD1-CG 4.3Å; L625-Q629 HydrophobicContact CG-CG 4.45Å; L625-Q629 WeakPolarHBondContact O-CB 3.43Å; L625-Q629 WeakPolarHBondContact O-CG 3.45Å; L625-Q629 PolarHBondContact O-N 2.9Å |
| 626 | K | 82.5 | Confident | 76.4 | Confident | 101 Ų | 101 | 68.4 Ų | 68.4 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.6 | -26.4 | 175.1 | -72.5 | 161.8 | -172.7 | 159.6 | 0 | 113.2 | E622 T624 N630 | E622-K626 VanDerWaalsContact O-CB 3.32Å; E622-K626 WeakPolarHBondContact O-CB 3.42Å; E622-K626 WeakPolarHBondContact O-CD 3.35Å; E622-K626 WeakPolarHBondContact O-CG 3.18Å; E622-K626 PolarHBondContact O-N 2.95Å; E622-K626 IonicContact OE2-NZ 3.89Å; E622-K626 PolarHBondContact OE2-NZ 3.29Å; T624-K626 VanDerWaalsContact C-N 3.31Å; T624-K626 PolarHBondContact O-N 2.87Å; K626-N630 VanDerWaalsContact O-CB 3.24Å; K626-N630 WeakPolarHBondContact O-CB 3.19Å; K626-N630 PolarHBondContact O-N 3.25Å |
| 627 | R | 85.8 | Confident | 78.7 | Confident | 77 Ų | 77 | 65.9 Ų | 65.9 | 29% | 0.291 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -75.9 | -48 | 171.9 | -74.7 | 179.1 | -74.6 | -179 | 1.4 | 111.5 | A623 T624 L625 N630 L631 H687 F729 | A623-R627 WeakPolarHBondContact O-CG 3.44Å; A623-R627 PolarHBondContact O-N 3.27Å; A623-R627 PolarHBondContact O-NE 3.49Å; T624-R627 WeakPolarHBondContact O-CB 3.34Å; T624-R627 PolarHBondContact O-N 3.16Å; T624-R627 PolarHBondContact OG1-NH2 3.28Å; L625-R627 VanDerWaalsContact C-N 3.29Å; L625-R627 PolarHBondContact O-N 3.04Å; R627-N630 PolarHBondContact O-N 3.49Å; R627-L631 PolarHBondContact O-N 2.98Å; R627-H687 HydrophobicContact CB-CB 4.34Å; R627-F729 HydrophobicContact CB-CD1 4.39Å; R627-F729 HydrophobicContact CB-CE1 4.33Å; R627-F729 HydrophobicContact CG-CD1 3.72Å; R627-F729 HydrophobicContact CG-CE1 3.97Å; R627-F729 HydrophobicContact CG-CG 4.32Å |
| 628 | L | 89.3 | Confident | 81.3 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.3 | -54.5 | 177.2 | -69.1 | 166.1 | 0 | 0 | 0 | 111.8 | T624 L625 N630 L631 Y632 M679 Y684 H687 M690 | T624-L628 HydrophobicContact CG2-CD1 4.3Å; T624-L628 WeakPolarHBondContact O-CG 3.41Å; T624-L628 PolarHBondContact O-N 3.29Å; L625-L628 PolarHBondContact O-N 3.33Å; L628-N630 PolarHBondContact O-N 2.8Å; L628-L631 PolarHBondContact O-N 3.03Å; L628-L631 VanDerWaalsContact O-N 3.12Å; L628-Y632 PolarHBondContact O-N 3.11Å; L628-M679 HydrophobicContact CB-CG 4.11Å; L628-M679 HydrophobicContact CB-SD 4.07Å; L628-Y684 HydrophobicContact CD2-CD2 4.08Å; L628-Y684 HydrophobicContact CD2-CG 4.22Å; L628-H687 HydrophobicContact CD2-CB 4.46Å; L628-M690 HydrophobicContact CB-SD 4.1Å; L628-M690 HydrophobicContact CD2-CB 3.55Å; L628-M690 HydrophobicContact CD2-CG 4.12Å; L628-M690 HydrophobicContact CD2-SD 3.51Å; L628-M690 VanDerWaalsContact CD2-SD 3.51Å; L628-M690 HydrophobicContact CG-SD 4.44Å |
| 629 | Q | 87.6 | Confident | 83.3 | Confident | 60 Ų | 60 | 63.8 Ų | 63.8 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.6 | -32.9 | 177.9 | -72.8 | -174.3 | -10.9 | 0 | 0 | 112.9 | L625 K633 M679 | L625-Q629 HydrophobicContact CD1-CG 4.3Å; L625-Q629 HydrophobicContact CG-CG 4.45Å; L625-Q629 WeakPolarHBondContact O-CB 3.43Å; L625-Q629 WeakPolarHBondContact O-CG 3.45Å; L625-Q629 PolarHBondContact O-N 2.9Å; Q629-K633 VanDerWaalsContact O-CB 3.3Å; Q629-K633 WeakPolarHBondContact O-CB 3.38Å; Q629-K633 VanDerWaalsContact O-CG 3.26Å; Q629-K633 WeakPolarHBondContact O-CG 3.41Å; Q629-K633 PolarHBondContact O-N 2.7Å; Q629-M679 HydrophobicContact CG-SD 4.1Å |
| 630 | N | 87.8 | Confident | 84.2 | Confident | 53 Ų | 53 | 61 Ų | 61 | 28% | 0.283 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -73.4 | -41.8 | 177.9 | -174 | -9.6 | 0 | 0 | 0 | 111.3 | K626 R627 L628 T634 R725 F729 | K626-N630 VanDerWaalsContact O-CB 3.24Å; K626-N630 WeakPolarHBondContact O-CB 3.19Å; K626-N630 PolarHBondContact O-N 3.25Å; R627-N630 PolarHBondContact O-N 3.49Å; L628-N630 PolarHBondContact O-N 2.8Å; N630-T634 VanDerWaalsContact O-CB 3.29Å; N630-T634 WeakPolarHBondContact O-CB 3.44Å; N630-T634 PolarHBondContact O-N 2.82Å; N630-T634 PolarHBondContact O-OG1 2.95Å; N630-T634 PolarHBondContact OD1-OG1 2.91Å; N630-R725 VanDerWaalsContact OD1-CZ 3.31Å; N630-R725 PolarHBondContact OD1-NE 3.48Å; N630-R725 VanDerWaalsContact OD1-NE 3.07Å; N630-R725 PolarHBondContact OD1-NH2 2.85Å; N630-F729 HydrophobicContact CB-CE1 4.34Å; N630-F729 HydrophobicContact CB-CZ 3.88Å |
| 631 | L | 89.2 | Confident | 84.7 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.5 | -50.1 | 169.7 | -76.1 | 171.1 | 0 | 0 | 0 | 111.3 | R627 L628 K633 T634 V635 H687 M690 V691 R725 L726 F729 | R627-L631 PolarHBondContact O-N 2.98Å; L628-L631 PolarHBondContact O-N 3.03Å; L628-L631 VanDerWaalsContact O-N 3.12Å; L631-K633 PolarHBondContact O-N 2.95Å; L631-T634 WeakPolarHBondContact O-CB 3.44Å; L631-T634 PolarHBondContact O-N 3.05Å; L631-V635 PolarHBondContact O-N 2.73Å; L631-V635 VanDerWaalsContact O-N 3.11Å; L631-H687 HydrophobicContact CD1-CB 3.97Å; L631-M690 HydrophobicContact CB-CE 3.55Å; L631-V691 HydrophobicContact CD1-CG2 4.02Å; L631-R725 HydrophobicContact CD2-CB 4.25Å; L631-R725 HydrophobicContact CD2-CG 4.23Å; L631-L726 HydrophobicContact CD1-CD2 4.27Å; L631-L726 HydrophobicContact CD2-CD2 4.2Å; L631-L726 HydrophobicContact CD2-CG 4.24Å; L631-F729 HydrophobicContact CD1-CE2 4.43Å; L631-F729 HydrophobicContact CD2-CD2 4.35Å; L631-F729 HydrophobicContact CD2-CE2 3.67Å; L631-F729 HydrophobicContact CG-CD2 4.44Å; L631-F729 HydrophobicContact CG-CE2 3.67Å; L631-F729 HydrophobicContact CG-CZ 4.39Å |
| 632 | Y | 93.4 | Very high | 85.1 | Confident | 19 Ų | 19 | 62 Ų | 62 | 8% | 0.075 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -48.7 | -177 | -178 | -88.7 | 0 | 0 | 0 | 111 | L628 T634 V635 Y636 L672 I675 K676 M679 | L628-Y632 PolarHBondContact O-N 3.11Å; Y632-T634 PolarHBondContact O-N 3.12Å; Y632-V635 PolarHBondContact O-N 3.28Å; Y632-V635 VanDerWaalsContact O-N 3.14Å; Y632-Y636 HydrophobicContact CE1-CD2 4.1Å; Y632-Y636 AromaticContact CE1-CG 3.93Å; Y632-Y636 HydrophobicContact CE1-CG 3.93Å; Y632-Y636 AromaticContact CZ-CD2 3.93Å; Y632-Y636 WeakPolarHBondContact O-CB 3.31Å; Y632-Y636 PolarHBondContact O-N 2.9Å; Y632-Y636 VanDerWaalsContact OH-CD2 3.31Å; Y632-Y636 WeakPolarHBondContact OH-CD2 3.31Å; Y632-L672 HydrophobicContact CE2-CD2 4.41Å; Y632-I675 HydrophobicContact CD2-CG2 4.35Å; Y632-K676 HydrophobicContact CD2-CB 4.43Å; Y632-K676 HydrophobicContact CE1-CD 4.47Å; Y632-K676 HydrophobicContact CE1-CG 4.37Å; Y632-K676 HydrophobicContact CE2-CB 3.63Å; Y632-K676 HydrophobicContact CE2-CG 4.13Å; Y632-M679 HydrophobicContact CD1-CE 4.13Å; Y632-M679 HydrophobicContact CD2-CE 4.3Å; Y632-M679 HydrophobicContact CG-CE 3.82Å; Y632-M679 HydrophobicContact CG-SD 4.37Å |
| 633 | K | 89.4 | Confident | 85.2 | Confident | 75 Ų | 75 | 58.7 Ų | 58.7 | 33% | 0.326 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.8 | -26.1 | 176.7 | -68.5 | -176.3 | -179.1 | -174 | 0 | 112.5 | Q629 L631 Y637 | Q629-K633 VanDerWaalsContact O-CB 3.3Å; Q629-K633 WeakPolarHBondContact O-CB 3.38Å; Q629-K633 VanDerWaalsContact O-CG 3.26Å; Q629-K633 WeakPolarHBondContact O-CG 3.41Å; Q629-K633 PolarHBondContact O-N 2.7Å; L631-K633 PolarHBondContact O-N 2.95Å; K633-Y637 HydrophobicContact CB-CD2 4Å; K633-Y637 HydrophobicContact CB-CE2 4.35Å; K633-Y637 HydrophobicContact CD-CE2 4.47Å; K633-Y637 HydrophobicContact CG-CD2 4.22Å; K633-Y637 HydrophobicContact CG-CE2 4.05Å; K633-Y637 WeakPolarHBondContact O-CB 3.39Å; K633-Y637 WeakPolarHBondContact O-CD2 3.24Å; K633-Y637 PolarHBondContact O-N 3.01Å; K633-Y637 VanDerWaalsContact O-N 3.15Å |
| 634 | T | 89.7 | Confident | 85.5 | Confident | 28 Ų | 28 | 60 Ų | 60 | 17% | 0.172 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.2 | -31.1 | 173.9 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | N630 L631 Y632 F638 I721 R725 | N630-T634 VanDerWaalsContact O-CB 3.29Å; N630-T634 WeakPolarHBondContact O-CB 3.44Å; N630-T634 PolarHBondContact O-N 2.82Å; N630-T634 PolarHBondContact O-OG1 2.95Å; N630-T634 PolarHBondContact OD1-OG1 2.91Å; L631-T634 WeakPolarHBondContact O-CB 3.44Å; L631-T634 PolarHBondContact O-N 3.05Å; Y632-T634 PolarHBondContact O-N 3.12Å; T634-F638 WeakPolarHBondContact O-CB 3.43Å; T634-I721 HydrophobicContact CG2-CG2 3.8Å; T634-R725 HydrophobicContact CG2-CB 4.09Å; T634-R725 HydrophobicContact CG2-CG 3.9Å; T634-R725 PolarHBondContact OG1-NE 2.95Å |
| 635 | V | 90.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -81.7 | -51.3 | 173.9 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | L631 Y632 Y637 F638 L672 L694 L718 V722 | L631-V635 PolarHBondContact O-N 2.73Å; L631-V635 VanDerWaalsContact O-N 3.11Å; Y632-V635 PolarHBondContact O-N 3.28Å; Y632-V635 VanDerWaalsContact O-N 3.14Å; V635-Y637 VanDerWaalsContact C-N 3.35Å; V635-Y637 PolarHBondContact O-N 3.18Å; V635-F638 WeakPolarHBondContact O-CB 3.39Å; V635-F638 PolarHBondContact O-N 3.08Å; V635-F638 VanDerWaalsContact O-N 3.14Å; V635-L672 HydrophobicContact CG1-CD1 4.4Å; V635-L672 HydrophobicContact CG1-CD2 4Å; V635-L694 HydrophobicContact CG1-CD2 4.43Å; V635-L694 HydrophobicContact CG2-CD1 4.26Å; V635-L694 HydrophobicContact CG2-CD2 4.18Å; V635-L718 HydrophobicContact CG1-CD1 4.19Å; V635-L718 HydrophobicContact CG1-CD2 4.2Å; V635-V722 HydrophobicContact CG2-CG2 3.4Å; V635-V722 VanDerWaalsContact CG2-CG2 3.4Å |
| 636 | Y | 91.2 | Very high | 86.2 | Confident | 42 Ų | 42 | 59.8 Ų | 59.8 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.5 | -29.8 | -172.5 | -171.8 | -90.2 | 0 | 0 | 0 | 114.2 | Y632 R647 | Y632-Y636 HydrophobicContact CE1-CD2 4.1Å; Y632-Y636 AromaticContact CE1-CG 3.93Å; Y632-Y636 HydrophobicContact CE1-CG 3.93Å; Y632-Y636 AromaticContact CZ-CD2 3.93Å; Y632-Y636 WeakPolarHBondContact O-CB 3.31Å; Y632-Y636 PolarHBondContact O-N 2.9Å; Y632-Y636 VanDerWaalsContact OH-CD2 3.31Å; Y632-Y636 WeakPolarHBondContact OH-CD2 3.31Å; Y636-R647 WeakPolarHBondContact O-CD 3.3Å; Y636-R647 PolarHBondContact O-NE 3.48Å |
| 637 | Y | 86.1 | Confident | 86.5 | Confident | 126 Ų | 126 | 57 Ų | 57 | 49% | 0.494 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 17.6 | 174.7 | -60.5 | -72.4 | 0 | 0 | 0 | 112.9 | K633 V635 R639 | K633-Y637 HydrophobicContact CB-CD2 4Å; K633-Y637 HydrophobicContact CB-CE2 4.35Å; K633-Y637 HydrophobicContact CD-CE2 4.47Å; K633-Y637 HydrophobicContact CG-CD2 4.22Å; K633-Y637 HydrophobicContact CG-CE2 4.05Å; K633-Y637 WeakPolarHBondContact O-CB 3.39Å; K633-Y637 WeakPolarHBondContact O-CD2 3.24Å; K633-Y637 PolarHBondContact O-N 3.01Å; K633-Y637 VanDerWaalsContact O-N 3.15Å; V635-Y637 VanDerWaalsContact C-N 3.35Å; V635-Y637 PolarHBondContact O-N 3.18Å; Y637-R639 PolarHBondContact O-N 3.38Å |
| 638 | F | 88.2 | Confident | 86.5 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 18% | 0.175 | 27% | 0.269 | C | S | . | . | trans | -74.4 | 123.2 | 168.9 | -174 | -104.3 | 0 | 0 | 0 | 110.2 | T634 V635 A640 Y645 P646 L717 L718 I721 | T634-F638 WeakPolarHBondContact O-CB 3.43Å; V635-F638 WeakPolarHBondContact O-CB 3.39Å; V635-F638 PolarHBondContact O-N 3.08Å; V635-F638 VanDerWaalsContact O-N 3.14Å; F638-A640 HydrophobicContact CE1-CB 4.35Å; F638-Y645 WeakPolarHBondContact O-CD1 3.29Å; F638-P646 HydrophobicContact CD1-CG 3.93Å; F638-P646 HydrophobicContact CE1-CG 4.05Å; F638-L717 HydrophobicContact CE1-CD1 4.23Å; F638-L717 HydrophobicContact CE1-CD2 3.84Å; F638-L717 HydrophobicContact CE1-CG 3.81Å; F638-L717 HydrophobicContact CZ-CD1 4.26Å; F638-L717 HydrophobicContact CZ-CD2 4.5Å; F638-L717 HydrophobicContact CZ-CG 4.34Å; F638-L718 HydrophobicContact CB-CD2 4Å; F638-L718 HydrophobicContact CD1-CD2 3.77Å; F638-L718 HydrophobicContact CG-CD2 4.17Å; F638-I721 HydrophobicContact CD1-CG1 4.48Å; F638-I721 HydrophobicContact CD2-CD1 3.97Å; F638-I721 HydrophobicContact CD2-CG1 3.9Å; F638-I721 HydrophobicContact CD2-CG2 4.1Å; F638-I721 HydrophobicContact CE1-CG1 4.24Å; F638-I721 HydrophobicContact CE2-CD1 3.42Å; F638-I721 VanDerWaalsContact CE2-CD1 3.42Å; F638-I721 HydrophobicContact CE2-CG1 3.64Å; F638-I721 HydrophobicContact CG-CG1 4.32Å; F638-I721 HydrophobicContact CG-CG2 4.45Å; F638-I721 HydrophobicContact CZ-CD1 3.88Å; F638-I721 HydrophobicContact CZ-CG1 3.82Å | ||
| 639 | R | 88 | Confident | 86.4 | Confident | 144 Ų | 144 | 60.6 Ų | 60.6 | 54% | 0.543 | 29% | 0.292 | S | S | . | . | trans | -109.6 | 133.3 | 171.5 | -163.3 | -179.6 | -172.3 | -165.7 | -2.3 | 108.2 | Y637 G643 H644 Y645 | Y637-R639 PolarHBondContact O-N 3.38Å; R639-G643 VanDerWaalsContact CZ-O 3.29Å; R639-G643 PolarHBondContact NE-O 3.06Å; R639-G643 PolarHBondContact NH2-O 3.5Å; R639-H644 WeakPolarHBondContact CG-O 3.31Å; R639-Y645 HydrophobicContact CB-CD1 3.96Å; R639-Y645 HydrophobicContact CB-CE1 3.74Å; R639-Y645 HydrophobicContact CG-CD1 4.11Å; R639-Y645 HydrophobicContact CG-CE1 3.84Å | ||
| 640 | A | 84.4 | Confident | 86.7 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | trans | -79 | 172.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F638 D642 G643 H644 P646 L717 | F638-A640 HydrophobicContact CE1-CB 4.35Å; A640-D642 VanDerWaalsContact C-N 3.31Å; A640-D642 WeakPolarHBondContact CB-OD1 3.16Å; A640-D642 PolarHBondContact O-N 3.39Å; A640-G643 WeakPolarHBondContact O-CA 3.41Å; A640-G643 PolarHBondContact O-N 2.86Å; A640-H644 VanDerWaalsContact CB-CE1 3.49Å; A640-H644 WeakPolarHBondContact CB-CE1 3.25Å; A640-H644 PolarHBondContact N-O 3.2Å; A640-P646 HydrophobicContact CB-CG 3.71Å; A640-L717 HydrophobicContact CB-CD2 4.14Å | ||
| 641 | N | 76.6 | Confident | 86.7 | Confident | 176 Ų | 176 | 56.9 Ų | 56.9 | 94% | 0.941 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -29.2 | -171.7 | -59.1 | -37.8 | 0 | 0 | 0 | 112.8 | G643 | N641-G643 VanDerWaalsContact C-N 3.28Š|
| 642 | D | 79 | Confident | 86.6 | Confident | 130 Ų | 130 | 60 Ų | 60 | 70% | 0.695 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -10.1 | 170.3 | 36.4 | -9.4 | 0 | 0 | 0 | 113.2 | A640 H644 | A640-D642 VanDerWaalsContact C-N 3.31Å; A640-D642 WeakPolarHBondContact CB-OD1 3.16Å; A640-D642 PolarHBondContact O-N 3.39Å; D642-H644 VanDerWaalsContact CG-CE1 3.49Å; D642-H644 IonicContact OD1-CE1 3.22Å; D642-H644 PolarHBondContact OD1-CE1 2.92Å; D642-H644 IonicContact OD1-ND1 3.64Å; D642-H644 PolarHBondContact OD1-ND1 3.4Å; D642-H644 IonicContact OD2-CE1 2.75Å; D642-H644 PolarHBondContact OD2-CE1 2.68Å; D642-H644 IonicContact OD2-ND1 3.42Å |
| 643 | G | 74.5 | Confident | 86.5 | Confident | 19 Ų | 19 | 61.1 Ų | 61.1 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 92.3 | -0.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | R639 A640 N641 | R639-G643 VanDerWaalsContact CZ-O 3.29Å; R639-G643 PolarHBondContact NE-O 3.06Å; R639-G643 PolarHBondContact NH2-O 3.5Å; A640-G643 WeakPolarHBondContact O-CA 3.41Å; A640-G643 PolarHBondContact O-N 2.86Å; N641-G643 VanDerWaalsContact C-N 3.28Å |
| 644 | H | 80 | Confident | 86.4 | Confident | 63 Ų | 63 | 59.6 Ų | 59.6 | 29% | 0.292 | 30% | 0.302 | S | S | . | . | trans | -74.6 | 171.3 | 162.7 | 70.8 | -60.9 | 0 | 0 | 0 | 111.1 | R639 A640 D642 P646 D714 | R639-H644 WeakPolarHBondContact CG-O 3.31Å; A640-H644 VanDerWaalsContact CB-CE1 3.49Å; A640-H644 WeakPolarHBondContact CB-CE1 3.25Å; A640-H644 PolarHBondContact N-O 3.2Å; D642-H644 VanDerWaalsContact CG-CE1 3.49Å; D642-H644 IonicContact OD1-CE1 3.22Å; D642-H644 PolarHBondContact OD1-CE1 2.92Å; D642-H644 IonicContact OD1-ND1 3.64Å; D642-H644 PolarHBondContact OD1-ND1 3.4Å; D642-H644 IonicContact OD2-CE1 2.75Å; D642-H644 PolarHBondContact OD2-CE1 2.68Å; D642-H644 IonicContact OD2-ND1 3.42Å; H644-P646 WeakPolarHBondContact O-CD 3.38Å; H644-D714 IonicContact CD2-OD1 2.67Å; H644-D714 IonicContact CE1-OD1 3.83Å; H644-D714 IonicContact NE2-OD1 3.89Å; H644-D714 PolarHBondContact NE2-OD1 3.48Å; H644-D714 IonicContact NE2-OD2 3.12Å | ||
| 645 | Y | 87.9 | Confident | 86.2 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 33% | 0.329 | 31% | 0.314 | S | S | . | . | trans | -105.7 | 106.2 | 169.4 | -61.7 | -88.7 | 0 | 0 | 0 | 108.6 | F638 R639 R647 D648 | F638-Y645 WeakPolarHBondContact O-CD1 3.29Å; R639-Y645 HydrophobicContact CB-CD1 3.96Å; R639-Y645 HydrophobicContact CB-CE1 3.74Å; R639-Y645 HydrophobicContact CG-CD1 4.11Å; R639-Y645 HydrophobicContact CG-CE1 3.84Å; Y645-R647 PolarHBondContact O-N 2.9Å; Y645-D648 WeakPolarHBondContact O-CB 3.26Å; Y645-D648 VanDerWaalsContact O-CG 3.32Å; Y645-D648 PolarHBondContact O-N 3.46Å | ||
| 646 | P | 88.3 | Confident | 85.9 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -18.6 | 178.1 | -33 | 38.2 | 0 | 0 | 0 | 114.9 | F638 A640 H644 D648 F650 D714 L717 L718 | F638-P646 HydrophobicContact CD1-CG 3.93Å; F638-P646 HydrophobicContact CE1-CG 4.05Å; A640-P646 HydrophobicContact CB-CG 3.71Å; H644-P646 WeakPolarHBondContact O-CD 3.38Å; P646-D648 VanDerWaalsContact C-N 3.28Å; P646-D648 PolarHBondContact O-N 2.89Å; P646-F650 WeakPolarHBondContact O-CD2 3.35Å; P646-F650 WeakPolarHBondContact O-CE2 3.5Å; P646-D714 HydrophobicContact CB-CB 3.93Å; P646-D714 WeakPolarHBondContact CB-OD1 3.41Å; P646-D714 WeakPolarHBondContact CG-OD1 3.45Å; P646-L717 HydrophobicContact CG-CD2 4.08Å; P646-L718 HydrophobicContact CB-CD1 4.05Å; P646-L718 HydrophobicContact CB-CD2 4.01Å; P646-L718 HydrophobicContact CB-CG 3.87Å |
| 647 | R | 89.7 | Confident | 85.3 | Confident | 42 Ų | 42 | 72.6 Ų | 72.6 | 16% | 0.158 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -20.4 | 175.1 | 62.6 | 115.9 | 158 | 124.7 | -2.4 | 114.7 | Y636 Y645 T649 F650 V651 L672 | Y636-R647 WeakPolarHBondContact O-CD 3.3Å; Y636-R647 PolarHBondContact O-NE 3.48Å; Y645-R647 PolarHBondContact O-N 2.9Å; R647-T649 PolarHBondContact O-N 3.39Å; R647-F650 CarbonylContact O-C 3.49Å; R647-F650 WeakPolarHBondContact O-CA 3.14Å; R647-F650 PolarHBondContact O-N 2.79Å; R647-V651 WeakPolarHBondContact O-CG2 3.3Å; R647-V651 PolarHBondContact O-N 3.15Å; R647-L672 HydrophobicContact CB-CD1 3.72Å |
| 648 | D | 86.6 | Confident | 84.9 | Confident | 76 Ų | 76 | 71.6 Ų | 71.6 | 41% | 0.406 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -67.5 | -39 | -165.5 | -67.9 | -14.4 | 0 | 0 | 0 | 112.6 | Y645 P646 F650 V651 | Y645-D648 WeakPolarHBondContact O-CB 3.26Å; Y645-D648 VanDerWaalsContact O-CG 3.32Å; Y645-D648 PolarHBondContact O-N 3.46Å; P646-D648 VanDerWaalsContact C-N 3.28Å; P646-D648 PolarHBondContact O-N 2.89Å; D648-F650 PolarHBondContact O-N 3.4Å; D648-F650 VanDerWaalsContact O-N 3.14Å; D648-V651 PolarHBondContact O-N 2.88Å |
| 649 | T | 86.2 | Confident | 84.7 | Confident | 84 Ų | 84 | 73.7 Ų | 73.7 | 52% | 0.515 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -70.1 | -5.4 | 173.3 | -32.7 | 0 | 0 | 0 | 0 | 113.8 | R647 V711 | R647-T649 PolarHBondContact O-N 3.39Å; T649-V711 HydrophobicContact CG2-CB 4.46Å; T649-V711 HydrophobicContact CG2-CG1 3.74Å; T649-V711 HydrophobicContact CG2-CG2 3.89Å |
| 650 | F | 93 | Very high | 84.5 | Confident | 10 Ų | 10 | 70 Ų | 70 | 4% | 0.044 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -118.8 | 6.2 | -176.7 | -54.5 | -102.7 | 0 | 0 | 0 | 112.6 | P646 R647 D648 L672 M697 F698 A701 V711 D714 A715 L718 | P646-F650 WeakPolarHBondContact O-CD2 3.35Å; P646-F650 WeakPolarHBondContact O-CE2 3.5Å; R647-F650 CarbonylContact O-C 3.49Å; R647-F650 WeakPolarHBondContact O-CA 3.14Å; R647-F650 PolarHBondContact O-N 2.79Å; D648-F650 PolarHBondContact O-N 3.4Å; D648-F650 VanDerWaalsContact O-N 3.14Å; F650-L672 HydrophobicContact CB-CD1 4.19Å; F650-L672 HydrophobicContact CB-CG 4.3Å; F650-L672 WeakPolarHBondContact O-CB 3.18Å; F650-L672 WeakPolarHBondContact O-CG 3.44Å; F650-L672 PolarHBondContact O-N 2.95Å; F650-M697 HydrophobicContact CB-CE 3.81Å; F650-M697 HydrophobicContact CB-SD 3.94Å; F650-M697 HydrophobicContact CD1-CE 3.84Å; F650-M697 HydrophobicContact CD1-CG 4.08Å; F650-M697 HydrophobicContact CD1-SD 4.36Å; F650-M697 HydrophobicContact CG-CE 4.05Å; F650-F698 HydrophobicContact CE1-CD1 4.41Å; F650-A701 HydrophobicContact CD1-CB 4.47Å; F650-A701 HydrophobicContact CE1-CB 3.5Å; F650-A701 HydrophobicContact CZ-CB 4.06Å; F650-V711 HydrophobicContact CE2-CG1 4.35Å; F650-V711 HydrophobicContact CZ-CG1 4Å; F650-D714 HydrophobicContact CE2-CB 4Å; F650-D714 HydrophobicContact CZ-CB 4.41Å; F650-A715 HydrophobicContact CE1-CB 3.97Å; F650-A715 HydrophobicContact CZ-CB 3.76Å; F650-L718 HydrophobicContact CD2-CD1 4.3Å; F650-L718 HydrophobicContact CE2-CD1 4.38Å |
| 651 | V | 88 | Confident | 84.6 | Confident | 26 Ų | 26 | 73.1 Ų | 73.1 | 16% | 0.158 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -65.9 | -51.2 | 180 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | R647 D648 T673 | R647-V651 WeakPolarHBondContact O-CG2 3.3Å; R647-V651 PolarHBondContact O-N 3.15Å; D648-V651 PolarHBondContact O-N 2.88Å; V651-T673 HydrophobicContact CG1-CG2 4.14Å; V651-T673 VanDerWaalsContact O-CG2 3.31Å; V651-T673 WeakPolarHBondContact O-CG2 3.17Å; V651-T673 PolarHBondContact O-N 3.49Å; V651-T673 VanDerWaalsContact O-N 3.16Å |
| 652 | S | 88.3 | Confident | 85.3 | Confident | 67 Ų | 67 | 65.5 Ų | 65.5 | 47% | 0.469 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -129.7 | 146.1 | -177.8 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | D671 | S652-D671 WeakPolarHBondContact CA-OD2 3.47Š|
| 653 | L | 90.8 | Very high | 85.8 | Confident | 42 Ų | 42 | 63 Ų | 63 | 22% | 0.22 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 145 | 172.3 | -72.6 | 178.1 | 0 | 0 | 0 | 112.8 | Y662 P669 D671 M674 | L653-Y662 HydrophobicContact CD2-CE1 4.21Å; L653-P669 HydrophobicContact CD1-CB 3.58Å; L653-P669 HydrophobicContact CD2-CB 3.63Å; L653-P669 HydrophobicContact CG-CB 4.27Å; L653-D671 HydrophobicContact CD2-CB 4.28Å; L653-D671 HydrophobicContact CG-CB 4.15Å; L653-D671 WeakPolarHBondContact CG-OD2 3.37Å; L653-D671 PolarHBondContact N-OD2 3.37Å; L653-M674 HydrophobicContact CD1-SD 4Å; L653-M674 HydrophobicContact CG-SD 4.49Å |
| 654 | P | 86.7 | Confident | 86.3 | Confident | 43 Ų | 43 | 69.4 Ų | 69.4 | 28% | 0.279 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 141.5 | 172.1 | -22.7 | 33.1 | 0 | 0 | 0 | 111.9 | K656 H659 Y662 Y663 | P654-K656 PolarHBondContact O-N 3.5Å; P654-H659 HydrophobicContact CB-CB 4.42Å; P654-Y662 HydrophobicContact CB-CD1 4.45Å; P654-Y662 HydrophobicContact CB-CG 4.49Å; P654-Y662 HydrophobicContact CG-CD1 4.1Å; P654-Y662 HydrophobicContact CG-CD2 4.21Å; P654-Y662 HydrophobicContact CG-CE1 4.09Å; P654-Y662 HydrophobicContact CG-CE2 4.2Å; P654-Y662 HydrophobicContact CG-CG 4.17Å; P654-Y663 VanDerWaalsContact O-CE2 3.28Å; P654-Y663 WeakPolarHBondContact O-CE2 3.31Å; P654-Y663 PolarHBondContact O-OH 2.99Å |
| 655 | S | 86.2 | Confident | 86.5 | Confident | 63 Ų | 63 | 70.5 Ų | 70.5 | 44% | 0.441 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 128.7 | -179.2 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | D657 V658 H659 | S655-D657 PolarHBondContact O-N 3.44Å; S655-V658 PolarHBondContact O-N 2.65Å; S655-V658 VanDerWaalsContact O-N 3.14Å; S655-H659 PolarHBondContact O-N 3.24Å |
| 656 | K | 84.3 | Confident | 86.6 | Confident | 129 Ų | 129 | 66.8 Ų | 66.8 | 56% | 0.561 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28.6 | -178.3 | -172.8 | 178.4 | 176.2 | -167.1 | 0 | 113.6 | P654 V658 P660 Y663 | P654-K656 PolarHBondContact O-N 3.5Å; K656-V658 VanDerWaalsContact C-N 3.34Å; K656-P660 WeakPolarHBondContact O-CA 3.37Å; K656-P660 WeakPolarHBondContact O-CB 3.43Å; K656-Y663 VanDerWaalsContact CA-CE2 3.44Å; K656-Y663 HydrophobicContact CB-CD2 3.84Å; K656-Y663 HydrophobicContact CB-CE2 3.52Å; K656-Y663 HydrophobicContact CG-CD2 3.72Å; K656-Y663 HydrophobicContact CG-CE2 3.95Å; K656-Y663 HydrophobicContact CG-CG 4.17Å |
| 657 | D | 78.1 | Confident | 86.3 | Confident | 151 Ų | 151 | 71.6 Ų | 71.6 | 81% | 0.807 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -18.6 | -179 | -51.6 | -59.1 | 0 | 0 | 0 | 112.1 | S655 | S655-D657 PolarHBondContact O-N 3.44Š|
| 658 | V | 78.7 | Confident | 86.3 | Confident | 104 Ų | 104 | 74.3 Ų | 74.3 | 63% | 0.63 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -38.1 | 178.7 | -172.2 | 0 | 0 | 0 | 0 | 111.4 | S655 K656 P660 | S655-V658 PolarHBondContact O-N 2.65Å; S655-V658 VanDerWaalsContact O-N 3.14Å; K656-V658 VanDerWaalsContact C-N 3.34Å; V658-P660 VanDerWaalsContact C-CD 3.43Å; V658-P660 WeakPolarHBondContact O-CD 3.45Å |
| 659 | H | 83 | Confident | 86.6 | Confident | 84 Ų | 84 | 72.3 Ų | 72.3 | 39% | 0.389 | 40% | 0.402 | S | S | . | . | trans | -125.9 | 67.5 | 177.7 | -61.3 | -20.9 | 0 | 0 | 0 | 110.6 | P654 S655 D661 Y662 | P654-H659 HydrophobicContact CB-CB 4.42Å; S655-H659 PolarHBondContact O-N 3.24Å; H659-D661 VanDerWaalsContact C-OD1 3.28Å; H659-D661 WeakPolarHBondContact CA-OD1 3.48Å; H659-D661 PolarHBondContact O-N 3.21Å; H659-Y662 WeakPolarHBondContact O-CB 3.31Å; H659-Y662 PolarHBondContact O-N 3.23Å | ||
| 660 | P | 84.9 | Confident | 86.9 | Confident | 68 Ų | 68 | 68.8 Ų | 68.8 | 44% | 0.442 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -17.6 | -179.6 | 29.1 | -36.2 | 0 | 0 | 0 | 113.2 | K656 V658 Q664 | K656-P660 WeakPolarHBondContact O-CA 3.37Å; K656-P660 WeakPolarHBondContact O-CB 3.43Å; V658-P660 VanDerWaalsContact C-CD 3.43Å; V658-P660 WeakPolarHBondContact O-CD 3.45Å; P660-Q664 WeakPolarHBondContact O-CG 3.38Å; P660-Q664 PolarHBondContact O-NE2 2.8Å |
| 661 | D | 86.1 | Confident | 87 | Confident | 74 Ų | 74 | 68.9 Ų | 68.9 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -34.2 | 174.7 | 59.4 | -38.9 | 0 | 0 | 0 | 112.9 | H659 Y663 Q664 V665 Y704 | H659-D661 VanDerWaalsContact C-OD1 3.28Å; H659-D661 WeakPolarHBondContact CA-OD1 3.48Å; H659-D661 PolarHBondContact O-N 3.21Å; D661-Y663 PolarHBondContact O-N 3.45Å; D661-Q664 WeakPolarHBondContact O-CA 3.43Å; D661-Q664 WeakPolarHBondContact O-CB 3.32Å; D661-Q664 PolarHBondContact O-N 2.84Å; D661-V665 PolarHBondContact O-N 2.79Å; D661-Y704 PolarHBondContact OD2-OH 3.26Å |
| 662 | Y | 90.1 | Very high | 87.2 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 6% | 0.063 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -51 | -44.9 | 170 | -178.8 | -99.1 | 0 | 0 | 0 | 111.6 | L653 P654 H659 Q664 V665 I666 P669 Y704 | L653-Y662 HydrophobicContact CD2-CE1 4.21Å; P654-Y662 HydrophobicContact CB-CD1 4.45Å; P654-Y662 HydrophobicContact CB-CG 4.49Å; P654-Y662 HydrophobicContact CG-CD1 4.1Å; P654-Y662 HydrophobicContact CG-CD2 4.21Å; P654-Y662 HydrophobicContact CG-CE1 4.09Å; P654-Y662 HydrophobicContact CG-CE2 4.2Å; P654-Y662 HydrophobicContact CG-CG 4.17Å; H659-Y662 WeakPolarHBondContact O-CB 3.31Å; H659-Y662 PolarHBondContact O-N 3.23Å; Y662-Q664 PolarHBondContact O-N 2.93Å; Y662-V665 PolarHBondContact O-N 2.83Å; Y662-I666 HydrophobicContact CD2-CG1 4.07Å; Y662-I666 HydrophobicContact CE1-CB 4.32Å; Y662-I666 HydrophobicContact CE1-CG2 4.41Å; Y662-I666 HydrophobicContact CE2-CB 4.33Å; Y662-I666 HydrophobicContact CE2-CG1 3.72Å; Y662-I666 WeakPolarHBondContact O-CB 3.38Å; Y662-I666 PolarHBondContact O-N 3.28Å; Y662-P669 HydrophobicContact CE1-CB 4.33Å; Y662-Y704 VanDerWaalsContact CA-CE2 3.42Å; Y662-Y704 AromaticContact CD2-CD1 3.63Å; Y662-Y704 HydrophobicContact CD2-CD1 3.63Å; Y662-Y704 AromaticContact CD2-CD2 3.71Å; Y662-Y704 HydrophobicContact CD2-CD2 3.71Å; Y662-Y704 AromaticContact CD2-CE1 3.84Å; Y662-Y704 HydrophobicContact CD2-CE1 3.84Å; Y662-Y704 AromaticContact CD2-CE2 3.93Å; Y662-Y704 HydrophobicContact CD2-CE2 3.93Å; Y662-Y704 AromaticContact CD2-CG 3.54Å; Y662-Y704 HydrophobicContact CD2-CG 3.54Å; Y662-Y704 AromaticContact CD2-CZ 3.97Å; Y662-Y704 HydrophobicContact CE2-CD1 4.12Å; Y662-Y704 AromaticContact CE2-CG 4Å; Y662-Y704 HydrophobicContact CE2-CG 4Å; Y662-Y704 HydrophobicContact CG-CD2 4.49Å; Y662-Y704 HydrophobicContact CG-CE2 4.4Å |
| 663 | Y | 90.3 | Very high | 87.4 | Confident | 77 Ų | 77 | 66.6 Ų | 66.6 | 30% | 0.302 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -77.3 | -1.6 | 178 | -68.3 | -87.9 | 0 | 0 | 0 | 114.9 | P654 K656 D661 P669 | P654-Y663 VanDerWaalsContact O-CE2 3.28Å; P654-Y663 WeakPolarHBondContact O-CE2 3.31Å; P654-Y663 PolarHBondContact O-OH 2.99Å; K656-Y663 VanDerWaalsContact CA-CE2 3.44Å; K656-Y663 HydrophobicContact CB-CD2 3.84Å; K656-Y663 HydrophobicContact CB-CE2 3.52Å; K656-Y663 HydrophobicContact CG-CD2 3.72Å; K656-Y663 HydrophobicContact CG-CE2 3.95Å; K656-Y663 HydrophobicContact CG-CG 4.17Å; D661-Y663 PolarHBondContact O-N 3.45Å; Y663-P669 HydrophobicContact CD1-CG 3.85Å; Y663-P669 HydrophobicContact CE1-CB 4.26Å; Y663-P669 HydrophobicContact CE1-CG 3.9Å |
| 664 | Q | 85 | Confident | 87.4 | Confident | 154 Ų | 154 | 68.2 Ų | 68.2 | 72% | 0.72 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -98.4 | -35.4 | 171.3 | -68.2 | 168.3 | 71.5 | 0 | 0 | 111.2 | P660 D661 Y662 | P660-Q664 WeakPolarHBondContact O-CG 3.38Å; P660-Q664 PolarHBondContact O-NE2 2.8Å; D661-Q664 WeakPolarHBondContact O-CA 3.43Å; D661-Q664 WeakPolarHBondContact O-CB 3.32Å; D661-Q664 PolarHBondContact O-N 2.84Å; Y662-Q664 PolarHBondContact O-N 2.93Å |
| 665 | V | 84 | Confident | 87.7 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 52% | 0.521 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -81.5 | -46.1 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | D661 Y662 S667 Y704 | D661-V665 PolarHBondContact O-N 2.79Å; Y662-V665 PolarHBondContact O-N 2.83Å; V665-S667 PolarHBondContact O-N 2.86Å; V665-Y704 HydrophobicContact CB-CD2 4.19Å; V665-Y704 HydrophobicContact CG1-CD2 4.4Å; V665-Y704 HydrophobicContact CG2-CD2 4.46Å |
| 666 | I | 89.6 | Confident | 87.9 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | trans | -93.8 | 102 | -175.6 | -59.1 | -52.7 | 0 | 0 | 0 | 110.8 | Y662 P669 N700 N703 | Y662-I666 HydrophobicContact CD2-CG1 4.07Å; Y662-I666 HydrophobicContact CE1-CB 4.32Å; Y662-I666 HydrophobicContact CE1-CG2 4.41Å; Y662-I666 HydrophobicContact CE2-CB 4.33Å; Y662-I666 HydrophobicContact CE2-CG1 3.72Å; Y662-I666 WeakPolarHBondContact O-CB 3.38Å; Y662-I666 PolarHBondContact O-N 3.28Å; I666-P669 HydrophobicContact CG2-CG 4.21Å; I666-N700 HydrophobicContact CD1-CB 4.35Å; I666-N700 WeakPolarHBondContact CD1-O 3.47Å; I666-N700 HydrophobicContact CG2-CB 3.93Å; I666-N700 VanDerWaalsContact CG2-CG 3.41Å; I666-N700 WeakPolarHBondContact CG2-OD1 3.46Å; I666-N703 HydrophobicContact CD1-CB 3.92Å | ||
| 667 | S | 83.4 | Confident | 88.2 | Confident | 102 Ų | 102 | 66.1 Ų | 66.1 | 71% | 0.713 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -72.7 | -25.1 | -176 | 57.2 | 0 | 0 | 0 | 0 | 115 | V665 | V665-S667 PolarHBondContact O-N 2.86Š|
| 668 | N | 89.2 | Confident | 88.8 | Confident | 99 Ų | 99 | 61.9 Ų | 61.9 | 53% | 0.529 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -131.6 | 72.4 | 180 | -64.8 | -83.4 | 0 | 0 | 0 | 111.3 | I670 L696 N700 | N668-I670 PolarHBondContact O-N 2.99Å; N668-L696 HydrophobicContact CB-CD1 4.26Å; N668-L696 HydrophobicContact CB-CD2 4.13Å; N668-N700 PolarHBondContact O-ND2 3.41Å |
| 669 | P | 92.4 | Very high | 89.3 | Confident | 34 Ų | 34 | 57.4 Ų | 57.4 | 22% | 0.221 | 30% | 0.299 | C | S | . | . | trans | -59.5 | 134.5 | 178.5 | -22.9 | 34.7 | 0 | 0 | 0 | 112.4 | L653 Y662 Y663 I666 | L653-P669 HydrophobicContact CD1-CB 3.58Å; L653-P669 HydrophobicContact CD2-CB 3.63Å; L653-P669 HydrophobicContact CG-CB 4.27Å; Y662-P669 HydrophobicContact CE1-CB 4.33Å; Y663-P669 HydrophobicContact CD1-CG 3.85Å; Y663-P669 HydrophobicContact CE1-CB 4.26Å; Y663-P669 HydrophobicContact CE1-CG 3.9Å; I666-P669 HydrophobicContact CG2-CG 4.21Å | ||
| 670 | I | 93 | Very high | 89.5 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 6% | 0.056 | 30% | 0.304 | C | S | . | . | trans | -146.7 | 149.7 | 172.7 | -167.5 | 168.3 | 0 | 0 | 0 | 110.1 | N668 M674 I675 D693 L696 M697 | N668-I670 PolarHBondContact O-N 2.99Å; I670-M674 HydrophobicContact CG1-CB 4.05Å; I670-M674 HydrophobicContact CG1-CE 4.31Å; I670-M674 HydrophobicContact CG1-SD 4.46Å; I670-I675 HydrophobicContact CD1-CD1 4.17Å; I670-I675 HydrophobicContact CD1-CG1 3.69Å; I670-I675 HydrophobicContact CG1-CD1 4.33Å; I670-I675 HydrophobicContact CG1-CG1 3.94Å; I670-D693 HydrophobicContact CD1-CB 3.8Å; I670-D693 VanDerWaalsContact CD1-CG 3.44Å; I670-D693 WeakPolarHBondContact CD1-OD2 3.33Å; I670-L696 HydrophobicContact CB-CD2 4.48Å; I670-L696 HydrophobicContact CG2-CB 4.19Å; I670-L696 HydrophobicContact CG2-CD2 3.98Å; I670-L696 HydrophobicContact CG2-CG 3.8Å; I670-M697 HydrophobicContact CG2-CB 3.81Å; I670-M697 HydrophobicContact CG2-CG 4.27Å | ||
| 671 | D | 95 | Very high | 89.5 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 6% | 0.059 | 30% | 0.302 | C | S | . | . | trans | -137.8 | 175.2 | 176.7 | 68.8 | 38.4 | 0 | 0 | 0 | 112.2 | S652 L653 T673 M674 I675 | S652-D671 WeakPolarHBondContact CA-OD2 3.47Å; L653-D671 HydrophobicContact CD2-CB 4.28Å; L653-D671 HydrophobicContact CG-CB 4.15Å; L653-D671 WeakPolarHBondContact CG-OD2 3.37Å; L653-D671 PolarHBondContact N-OD2 3.37Å; D671-T673 VanDerWaalsContact C-N 3.32Å; D671-T673 PolarHBondContact O-N 3.43Å; D671-T673 WeakPolarHBondContact OD1-CA 3.49Å; D671-T673 WeakPolarHBondContact OD1-CB 3.36Å; D671-T673 PolarHBondContact OD1-N 3.2Å; D671-T673 PolarHBondContact OD1-OG1 2.79Å; D671-M674 PolarHBondContact O-N 3.28Å; D671-M674 WeakPolarHBondContact OD1-CG 3.21Å; D671-M674 PolarHBondContact OD1-N 3.5Å; D671-I675 WeakPolarHBondContact O-CG1 3.34Å; D671-I675 PolarHBondContact O-N 2.86Å | ||
| 672 | L | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.4 | -25.1 | 179.9 | -71.4 | 173.3 | 0 | 0 | 0 | 113.8 | Y632 V635 R647 F650 K676 L694 M697 | Y632-L672 HydrophobicContact CE2-CD2 4.41Å; V635-L672 HydrophobicContact CG1-CD1 4.4Å; V635-L672 HydrophobicContact CG1-CD2 4Å; R647-L672 HydrophobicContact CB-CD1 3.72Å; F650-L672 HydrophobicContact CB-CD1 4.19Å; F650-L672 HydrophobicContact CB-CG 4.3Å; F650-L672 WeakPolarHBondContact O-CB 3.18Å; F650-L672 WeakPolarHBondContact O-CG 3.44Å; F650-L672 PolarHBondContact O-N 2.95Å; L672-K676 VanDerWaalsContact O-CB 3.22Å; L672-K676 WeakPolarHBondContact O-CB 3.48Å; L672-K676 PolarHBondContact O-N 3.22Å; L672-L694 HydrophobicContact CD2-CD2 4.06Å; L672-M697 HydrophobicContact CD2-CE 3.78Å; L672-M697 HydrophobicContact CD2-SD 3.75Å; L672-M697 HydrophobicContact CG-CE 3.94Å; L672-M697 HydrophobicContact CG-SD 3.65Å |
| 673 | T | 91.1 | Very high | 89.2 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 28% | 0.282 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.1 | -40.4 | 172 | 67.9 | 0 | 0 | 0 | 0 | 111.5 | V651 D671 K676 H677 | V651-T673 HydrophobicContact CG1-CG2 4.14Å; V651-T673 VanDerWaalsContact O-CG2 3.31Å; V651-T673 WeakPolarHBondContact O-CG2 3.17Å; V651-T673 PolarHBondContact O-N 3.49Å; V651-T673 VanDerWaalsContact O-N 3.16Å; D671-T673 VanDerWaalsContact C-N 3.32Å; D671-T673 PolarHBondContact O-N 3.43Å; D671-T673 WeakPolarHBondContact OD1-CA 3.49Å; D671-T673 WeakPolarHBondContact OD1-CB 3.36Å; D671-T673 PolarHBondContact OD1-N 3.2Å; D671-T673 PolarHBondContact OD1-OG1 2.79Å; T673-K676 PolarHBondContact O-N 3.05Å; T673-H677 VanDerWaalsContact O-CB 3.32Å; T673-H677 WeakPolarHBondContact O-CB 3.41Å; T673-H677 PolarHBondContact O-N 3.07Å |
| 674 | M | 92.5 | Very high | 89.1 | Confident | 76 Ų | 76 | 59.7 Ų | 59.7 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 174.2 | -67 | 175.6 | 63.9 | 0 | 0 | 111.4 | L653 I670 D671 H677 K678 | L653-M674 HydrophobicContact CD1-SD 4Å; L653-M674 HydrophobicContact CG-SD 4.49Å; I670-M674 HydrophobicContact CG1-CB 4.05Å; I670-M674 HydrophobicContact CG1-CE 4.31Å; I670-M674 HydrophobicContact CG1-SD 4.46Å; D671-M674 PolarHBondContact O-N 3.28Å; D671-M674 WeakPolarHBondContact OD1-CG 3.21Å; D671-M674 PolarHBondContact OD1-N 3.5Å; M674-H677 PolarHBondContact O-N 2.91Å; M674-K678 WeakPolarHBondContact O-CG 3.37Å; M674-K678 PolarHBondContact O-N 3.48Å |
| 675 | I | 92.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.4 | -43 | 176.6 | -67.6 | 175.8 | 0 | 0 | 0 | 110.9 | Y632 I670 D671 H677 K678 M679 Y684 M690 D693 L694 M697 | Y632-I675 HydrophobicContact CD2-CG2 4.35Å; I670-I675 HydrophobicContact CD1-CD1 4.17Å; I670-I675 HydrophobicContact CD1-CG1 3.69Å; I670-I675 HydrophobicContact CG1-CD1 4.33Å; I670-I675 HydrophobicContact CG1-CG1 3.94Å; D671-I675 WeakPolarHBondContact O-CG1 3.34Å; D671-I675 PolarHBondContact O-N 2.86Å; I675-H677 VanDerWaalsContact C-N 3.35Å; I675-H677 PolarHBondContact O-N 3.34Å; I675-K678 PolarHBondContact O-N 3.03Å; I675-M679 PolarHBondContact O-N 3.45Å; I675-Y684 WeakPolarHBondContact CA-OH 3.26Å; I675-M690 HydrophobicContact CG2-CE 4.47Å; I675-M690 HydrophobicContact CG2-CG 4.22Å; I675-D693 HydrophobicContact CD1-CB 4.19Å; I675-D693 HydrophobicContact CG1-CB 4.09Å; I675-L694 HydrophobicContact CD1-CD2 3.84Å; I675-L694 HydrophobicContact CD1-CG 4.14Å; I675-L694 HydrophobicContact CG2-CD2 4.46Å; I675-M697 HydrophobicContact CD1-CB 4.21Å; I675-M697 HydrophobicContact CD1-SD 3.85Å |
| 676 | K | 90.9 | Very high | 88.9 | Confident | 79 Ų | 79 | 54.5 Ų | 54.5 | 34% | 0.343 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 173.7 | -169 | -172.2 | 174.2 | -172.1 | 0 | 111.2 | Y632 L672 T673 K678 M679 D680 | Y632-K676 HydrophobicContact CD2-CB 4.43Å; Y632-K676 HydrophobicContact CE1-CD 4.47Å; Y632-K676 HydrophobicContact CE1-CG 4.37Å; Y632-K676 HydrophobicContact CE2-CB 3.63Å; Y632-K676 HydrophobicContact CE2-CG 4.13Å; L672-K676 VanDerWaalsContact O-CB 3.22Å; L672-K676 WeakPolarHBondContact O-CB 3.48Å; L672-K676 PolarHBondContact O-N 3.22Å; T673-K676 PolarHBondContact O-N 3.05Å; K676-K678 PolarHBondContact O-N 3.1Å; K676-M679 HydrophobicContact CG-CE 4.43Å; K676-M679 WeakPolarHBondContact O-CB 3.44Å; K676-M679 PolarHBondContact O-N 3.35Å; K676-M679 VanDerWaalsContact O-N 3.16Å; K676-D680 WeakPolarHBondContact CE-OD2 3.34Å; K676-D680 WeakPolarHBondContact O-CB 3.34Å; K676-D680 PolarHBondContact O-N 3.23Å |
| 677 | H | 89.5 | Confident | 88.8 | Confident | 111 Ų | 111 | 55.2 Ų | 55.2 | 51% | 0.514 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 179.7 | -171.5 | 30.7 | 0 | 0 | 0 | 111.8 | T673 M674 I675 M679 D680 E681 | T673-H677 VanDerWaalsContact O-CB 3.32Å; T673-H677 WeakPolarHBondContact O-CB 3.41Å; T673-H677 PolarHBondContact O-N 3.07Å; M674-H677 PolarHBondContact O-N 2.91Å; I675-H677 VanDerWaalsContact C-N 3.35Å; I675-H677 PolarHBondContact O-N 3.34Å; H677-M679 VanDerWaalsContact C-N 3.31Å; H677-M679 PolarHBondContact O-N 2.94Å; H677-D680 PolarHBondContact O-N 3.2Å; H677-E681 IonicContact CD2-OE2 3.7Å; H677-E681 IonicContact CE1-OE1 2.67Å; H677-E681 IonicContact CE1-OE2 2.81Å; H677-E681 PolarHBondContact CE1-OE2 3.47Å; H677-E681 IonicContact CG-OE2 2.7Å; H677-E681 IonicContact ND1-OE2 3.15Å; H677-E681 IonicContact NE2-OE1 3.22Å; H677-E681 IonicContact NE2-OE2 3.39Å; H677-E681 PolarHBondContact NE2-OE2 3.04Å; H677-E681 WeakPolarHBondContact O-CB 3.45Å; H677-E681 WeakPolarHBondContact O-CG 3.37Å; H677-E681 PolarHBondContact O-N 2.98Å |
| 678 | K | 90.3 | Very high | 89 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 27% | 0.27 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62 | -35.6 | 173.9 | -73.6 | 176.2 | 69.8 | 178.1 | 0 | 112.5 | M674 I675 K676 G682 K683 Y684 D693 | M674-K678 WeakPolarHBondContact O-CG 3.37Å; M674-K678 PolarHBondContact O-N 3.48Å; I675-K678 PolarHBondContact O-N 3.03Å; K676-K678 PolarHBondContact O-N 3.1Å; K678-G682 PolarHBondContact O-N 2.89Å; K678-K683 HydrophobicContact CB-CB 4.16Å; K678-K683 HydrophobicContact CG-CB 4.4Å; K678-K683 HydrophobicContact CG-CD 4.14Å; K678-K683 WeakPolarHBondContact O-CB 3.49Å; K678-K683 PolarHBondContact O-N 2.98Å; K678-Y684 HydrophobicContact CB-CD2 4.43Å; K678-Y684 HydrophobicContact CB-CE1 4.1Å; K678-Y684 HydrophobicContact CB-CE2 3.69Å; K678-Y684 VanDerWaalsContact CB-CZ 3.49Å; K678-Y684 WeakPolarHBondContact CB-OH 3.49Å; K678-Y684 HydrophobicContact CD-CE1 4.48Å; K678-D693 VanDerWaalsContact CD-OD2 3.28Å; K678-D693 WeakPolarHBondContact CD-OD2 3.39Å; K678-D693 WeakPolarHBondContact CE-OD2 3.35Å; K678-D693 IonicContact NZ-OD1 3.14Å; K678-D693 PolarHBondContact NZ-OD1 2.73Å; K678-D693 IonicContact NZ-OD2 2.63Å; K678-D693 PolarHBondContact NZ-OD2 3.33Å |
| 679 | M | 91 | Very high | 89 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.7 | -48.9 | 173.2 | -179.1 | -177.9 | 63.8 | 0 | 0 | 112.1 | L628 Q629 Y632 I675 K676 H677 E681 G682 Y684 M690 | L628-M679 HydrophobicContact CB-CG 4.11Å; L628-M679 HydrophobicContact CB-SD 4.07Å; Q629-M679 HydrophobicContact CG-SD 4.1Å; Y632-M679 HydrophobicContact CD1-CE 4.13Å; Y632-M679 HydrophobicContact CD2-CE 4.3Å; Y632-M679 HydrophobicContact CG-CE 3.82Å; Y632-M679 HydrophobicContact CG-SD 4.37Å; I675-M679 PolarHBondContact O-N 3.45Å; K676-M679 HydrophobicContact CG-CE 4.43Å; K676-M679 WeakPolarHBondContact O-CB 3.44Å; K676-M679 PolarHBondContact O-N 3.35Å; K676-M679 VanDerWaalsContact O-N 3.16Å; H677-M679 VanDerWaalsContact C-N 3.31Å; H677-M679 PolarHBondContact O-N 2.94Å; M679-E681 VanDerWaalsContact C-N 3.34Å; M679-E681 PolarHBondContact O-N 3.3Å; M679-G682 PolarHBondContact O-N 3Å; M679-Y684 HydrophobicContact CB-CD2 3.98Å; M679-Y684 HydrophobicContact CB-CE2 3.92Å; M679-M690 HydrophobicContact SD-SD 4.38Å |
| 680 | D | 86 | Confident | 89 | Confident | 93 Ų | 93 | 51.7 Ų | 51.7 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.9 | -30.2 | -175.7 | -68.4 | -16 | 0 | 0 | 0 | 112.1 | K676 H677 G682 | K676-D680 WeakPolarHBondContact CE-OD2 3.34Å; K676-D680 WeakPolarHBondContact O-CB 3.34Å; K676-D680 PolarHBondContact O-N 3.23Å; H677-D680 PolarHBondContact O-N 3.2Å; D680-G682 VanDerWaalsContact C-N 3.28Å |
| 681 | E | 86 | Confident | 88.9 | Confident | 89 Ų | 89 | 51.7 Ų | 51.7 | 42% | 0.416 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -7.6 | 170 | -72.3 | 179.2 | 103.8 | 0 | 0 | 114.1 | H677 M679 K683 | H677-E681 IonicContact CD2-OE2 3.7Å; H677-E681 IonicContact CE1-OE1 2.67Å; H677-E681 IonicContact CE1-OE2 2.81Å; H677-E681 PolarHBondContact CE1-OE2 3.47Å; H677-E681 IonicContact CG-OE2 2.7Å; H677-E681 IonicContact ND1-OE2 3.15Å; H677-E681 IonicContact NE2-OE1 3.22Å; H677-E681 IonicContact NE2-OE2 3.39Å; H677-E681 PolarHBondContact NE2-OE2 3.04Å; H677-E681 WeakPolarHBondContact O-CB 3.45Å; H677-E681 WeakPolarHBondContact O-CG 3.37Å; H677-E681 PolarHBondContact O-N 2.98Å; M679-E681 VanDerWaalsContact C-N 3.34Å; M679-E681 PolarHBondContact O-N 3.3Å; E681-K683 VanDerWaalsContact C-N 3.34Å; E681-K683 HydrophobicContact CB-CD 4.23Å; E681-K683 HydrophobicContact CB-CG 4.03Å; E681-K683 VanDerWaalsContact CD-CE 3.43Å; E681-K683 VanDerWaalsContact OE1-CE 3.31Å; E681-K683 WeakPolarHBondContact OE1-CE 3.27Å; E681-K683 IonicContact OE1-NZ 2.71Å; E681-K683 PolarHBondContact OE1-NZ 3.26Å; E681-K683 WeakPolarHBondContact OE2-CD 3.47Å; E681-K683 WeakPolarHBondContact OE2-CE 3.4Å; E681-K683 IonicContact OE2-NZ 3.58Å; E681-K683 PolarHBondContact OE2-NZ 3.18Å |
| 682 | G | 84.3 | Confident | 88.8 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 60% | 0.598 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 27 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K678 M679 D680 Y684 | K678-G682 PolarHBondContact O-N 2.89Å; M679-G682 PolarHBondContact O-N 3Å; D680-G682 VanDerWaalsContact C-N 3.28Å; G682-Y684 PolarHBondContact O-N 3.18Å |
| 683 | K | 85.2 | Confident | 88.9 | Confident | 116 Ų | 116 | 57.6 Ų | 57.6 | 50% | 0.504 | 31% | 0.309 | S | S | . | . | trans | -76.3 | -0.6 | 177.6 | -70.4 | 176 | 176.1 | 160.7 | 0 | 114 | K678 E681 | K678-K683 HydrophobicContact CB-CB 4.16Å; K678-K683 HydrophobicContact CG-CB 4.4Å; K678-K683 HydrophobicContact CG-CD 4.14Å; K678-K683 WeakPolarHBondContact O-CB 3.49Å; K678-K683 PolarHBondContact O-N 2.98Å; E681-K683 VanDerWaalsContact C-N 3.34Å; E681-K683 HydrophobicContact CB-CD 4.23Å; E681-K683 HydrophobicContact CB-CG 4.03Å; E681-K683 VanDerWaalsContact CD-CE 3.43Å; E681-K683 VanDerWaalsContact OE1-CE 3.31Å; E681-K683 WeakPolarHBondContact OE1-CE 3.27Å; E681-K683 IonicContact OE1-NZ 2.71Å; E681-K683 PolarHBondContact OE1-NZ 3.26Å; E681-K683 WeakPolarHBondContact OE2-CD 3.47Å; E681-K683 WeakPolarHBondContact OE2-CE 3.4Å; E681-K683 IonicContact OE2-NZ 3.58Å; E681-K683 PolarHBondContact OE2-NZ 3.18Å | ||
| 684 | Y | 87.7 | Confident | 89.1 | Confident | 11 Ų | 11 | 55.4 Ų | 55.4 | 4% | 0.043 | 30% | 0.295 | C | S | . | . | trans | -104.9 | 109.6 | 171.2 | -58.2 | -55.7 | 0 | 0 | 0 | 110.7 | L628 I675 K678 M679 G682 S686 E689 M690 D693 | L628-Y684 HydrophobicContact CD2-CD2 4.08Å; L628-Y684 HydrophobicContact CD2-CG 4.22Å; I675-Y684 WeakPolarHBondContact CA-OH 3.26Å; K678-Y684 HydrophobicContact CB-CD2 4.43Å; K678-Y684 HydrophobicContact CB-CE1 4.1Å; K678-Y684 HydrophobicContact CB-CE2 3.69Å; K678-Y684 VanDerWaalsContact CB-CZ 3.49Å; K678-Y684 WeakPolarHBondContact CB-OH 3.49Å; K678-Y684 HydrophobicContact CD-CE1 4.48Å; M679-Y684 HydrophobicContact CB-CD2 3.98Å; M679-Y684 HydrophobicContact CB-CE2 3.92Å; G682-Y684 PolarHBondContact O-N 3.18Å; Y684-S686 VanDerWaalsContact C-N 3.32Å; Y684-E689 WeakPolarHBondContact CA-OE2 2.86Å; Y684-E689 HydrophobicContact CD1-CB 3.91Å; Y684-M690 HydrophobicContact CD1-CB 3.95Å; Y684-M690 HydrophobicContact CD2-CB 3.73Å; Y684-M690 HydrophobicContact CD2-CG 3.82Å; Y684-M690 HydrophobicContact CD2-SD 4.2Å; Y684-M690 HydrophobicContact CE1-CB 4.04Å; Y684-M690 HydrophobicContact CE1-CG 4.38Å; Y684-M690 HydrophobicContact CE2-CB 3.83Å; Y684-M690 HydrophobicContact CE2-CG 3.51Å; Y684-M690 HydrophobicContact CE2-SD 4.14Å; Y684-M690 HydrophobicContact CG-CB 3.8Å; Y684-M690 HydrophobicContact CG-CG 4.39Å; Y684-D693 HydrophobicContact CE1-CB 4.21Å; Y684-D693 VanDerWaalsContact CE1-OD2 3.28Å; Y684-D693 WeakPolarHBondContact CE1-OD2 3.22Å; Y684-D693 VanDerWaalsContact CZ-OD2 3.3Å; Y684-D693 PolarHBondContact OH-OD2 3.35Å | ||
| 685 | S | 80.1 | Confident | 89.1 | Confident | 96 Ų | 96 | 54.2 Ų | 54.2 | 67% | 0.671 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -68.5 | -30.9 | 175.9 | -36.9 | 0 | 0 | 0 | 0 | 112.1 | E689 | S685-E689 WeakPolarHBondContact CB-OE1 3.48Å; S685-E689 WeakPolarHBondContact CB-OE2 3.26Å; S685-E689 PolarHBondContact N-OE2 2.88Å; S685-E689 PolarHBondContact OG-OE1 2.99Å; S685-E689 VanDerWaalsContact OG-OE1 3.13Å; S685-E689 PolarHBondContact OG-OE2 3.2Å |
| 686 | S | 84.6 | Confident | 89.3 | Confident | 35 Ų | 35 | 57 Ų | 57 | 25% | 0.245 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -140.7 | 169.6 | 176 | 89.3 | 0 | 0 | 0 | 0 | 111.5 | Y684 D688 | Y684-S686 VanDerWaalsContact C-N 3.32Å; S686-D688 WeakPolarHBondContact CB-OD2 3.47Å; S686-D688 PolarHBondContact O-N 2.97Å; S686-D688 WeakPolarHBondContact OG-CB 3.45Å; S686-D688 PolarHBondContact OG-N 3.09Å; S686-D688 PolarHBondContact OG-OD2 3.11Å |
| 687 | H | 87.1 | Confident | 89.5 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 9% | 0.093 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.2 | -17.3 | 173.8 | 70.8 | -12.9 | 0 | 0 | 0 | 113.9 | R627 L628 L631 V691 F729 | R627-H687 HydrophobicContact CB-CB 4.34Å; L628-H687 HydrophobicContact CD2-CB 4.46Å; L631-H687 HydrophobicContact CD1-CB 3.97Å; H687-V691 VanDerWaalsContact O-CG2 3.27Å; H687-V691 WeakPolarHBondContact O-CG2 3.33Å; H687-V691 PolarHBondContact O-N 3.36Å; H687-F729 AromaticContact CD2-CD2 4Å |
| 688 | D | 87.3 | Confident | 89.7 | Confident | 86 Ų | 86 | 48.3 Ų | 48.3 | 46% | 0.46 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -80 | -35.5 | -175.7 | -42.6 | -89.4 | 0 | 0 | 0 | 110.9 | S686 M690 V691 L692 | S686-D688 WeakPolarHBondContact CB-OD2 3.47Å; S686-D688 PolarHBondContact O-N 2.97Å; S686-D688 WeakPolarHBondContact OG-CB 3.45Å; S686-D688 PolarHBondContact OG-N 3.09Å; S686-D688 PolarHBondContact OG-OD2 3.11Å; D688-M690 VanDerWaalsContact C-N 3.29Å; D688-M690 PolarHBondContact O-N 3.47Å; D688-V691 WeakPolarHBondContact O-CB 3.39Å; D688-V691 PolarHBondContact O-N 2.83Å; D688-V691 VanDerWaalsContact O-N 3.09Å; D688-L692 WeakPolarHBondContact O-CG 3.4Å; D688-L692 PolarHBondContact O-N 3.42Å |
| 689 | E | 89.9 | Confident | 89.9 | Confident | 75 Ų | 75 | 49.2 Ų | 49.2 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.3 | -37.3 | 173.2 | -65.3 | 178.2 | 174.6 | 0 | 0 | 111.8 | Y684 S685 V691 L692 D693 | Y684-E689 WeakPolarHBondContact CA-OE2 2.86Å; Y684-E689 HydrophobicContact CD1-CB 3.91Å; S685-E689 WeakPolarHBondContact CB-OE1 3.48Å; S685-E689 WeakPolarHBondContact CB-OE2 3.26Å; S685-E689 PolarHBondContact N-OE2 2.88Å; S685-E689 PolarHBondContact OG-OE1 2.99Å; S685-E689 VanDerWaalsContact OG-OE1 3.13Å; S685-E689 PolarHBondContact OG-OE2 3.2Å; E689-V691 VanDerWaalsContact C-N 3.34Å; E689-L692 PolarHBondContact O-N 3.06Å; E689-D693 PolarHBondContact O-N 3.19Å |
| 690 | M | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72 | -28.3 | 173.8 | -170.2 | -175.3 | 133.2 | 0 | 0 | 112.5 | L628 L631 I675 M679 Y684 D688 L694 | L628-M690 HydrophobicContact CB-SD 4.1Å; L628-M690 HydrophobicContact CD2-CB 3.55Å; L628-M690 HydrophobicContact CD2-CG 4.12Å; L628-M690 HydrophobicContact CD2-SD 3.51Å; L628-M690 VanDerWaalsContact CD2-SD 3.51Å; L628-M690 HydrophobicContact CG-SD 4.44Å; L631-M690 HydrophobicContact CB-CE 3.55Å; I675-M690 HydrophobicContact CG2-CE 4.47Å; I675-M690 HydrophobicContact CG2-CG 4.22Å; M679-M690 HydrophobicContact SD-SD 4.38Å; Y684-M690 HydrophobicContact CD1-CB 3.95Å; Y684-M690 HydrophobicContact CD2-CB 3.73Å; Y684-M690 HydrophobicContact CD2-CG 3.82Å; Y684-M690 HydrophobicContact CD2-SD 4.2Å; Y684-M690 HydrophobicContact CE1-CB 4.04Å; Y684-M690 HydrophobicContact CE1-CG 4.38Å; Y684-M690 HydrophobicContact CE2-CB 3.83Å; Y684-M690 HydrophobicContact CE2-CG 3.51Å; Y684-M690 HydrophobicContact CE2-SD 4.14Å; Y684-M690 HydrophobicContact CG-CB 3.8Å; Y684-M690 HydrophobicContact CG-CG 4.39Å; D688-M690 VanDerWaalsContact C-N 3.29Å; D688-M690 PolarHBondContact O-N 3.47Å; M690-L694 HydrophobicContact CE-CD1 3.78Å; M690-L694 WeakPolarHBondContact O-CB 3.32Å; M690-L694 WeakPolarHBondContact O-CG 3.4Å; M690-L694 PolarHBondContact O-N 3.3Å |
| 691 | V | 91.8 | Very high | 90.2 | Very high | 12 Ų | 12 | 45 Ų | 45 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.2 | -37.7 | 173.4 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | L631 H687 D688 E689 D693 L694 Q695 V722 L726 | L631-V691 HydrophobicContact CD1-CG2 4.02Å; H687-V691 VanDerWaalsContact O-CG2 3.27Å; H687-V691 WeakPolarHBondContact O-CG2 3.33Å; H687-V691 PolarHBondContact O-N 3.36Å; D688-V691 WeakPolarHBondContact O-CB 3.39Å; D688-V691 PolarHBondContact O-N 2.83Å; D688-V691 VanDerWaalsContact O-N 3.09Å; E689-V691 VanDerWaalsContact C-N 3.34Å; V691-D693 VanDerWaalsContact C-N 3.34Å; V691-L694 PolarHBondContact O-N 2.77Å; V691-Q695 HydrophobicContact CG1-CG 4.25Å; V691-Q695 WeakPolarHBondContact O-CB 3.47Å; V691-Q695 VanDerWaalsContact O-CG 3.27Å; V691-Q695 WeakPolarHBondContact O-CG 3.37Å; V691-Q695 PolarHBondContact O-N 2.93Å; V691-V722 HydrophobicContact CG2-CG1 4.3Å; V691-L726 HydrophobicContact CB-CD1 4.4Å; V691-L726 HydrophobicContact CG1-CD1 3.82Å; V691-L726 HydrophobicContact CG2-CD1 3.64Å; V691-L726 HydrophobicContact CG2-CD2 3.6Å; V691-L726 HydrophobicContact CG2-CG 4.07Å |
| 692 | L | 92.1 | Very high | 90.5 | Very high | 115 Ų | 115 | 41.4 Ų | 41.4 | 60% | 0.602 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61.7 | -42.4 | 173.9 | -69 | 173.5 | 0 | 0 | 0 | 111.6 | D688 E689 Q695 L696 | D688-L692 WeakPolarHBondContact O-CG 3.4Å; D688-L692 PolarHBondContact O-N 3.42Å; E689-L692 PolarHBondContact O-N 3.06Å; L692-Q695 PolarHBondContact O-N 3.14Å; L692-L696 WeakPolarHBondContact O-CB 3.44Å; L692-L696 PolarHBondContact O-N 2.97Å |
| 693 | D | 94.8 | Very high | 90.8 | Very high | 19 Ų | 19 | 44 Ų | 44 | 10% | 0.102 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -44.1 | 174 | -95 | 23.8 | 0 | 0 | 0 | 112.7 | I670 I675 K678 Y684 E689 V691 Q695 L696 M697 | I670-D693 HydrophobicContact CD1-CB 3.8Å; I670-D693 VanDerWaalsContact CD1-CG 3.44Å; I670-D693 WeakPolarHBondContact CD1-OD2 3.33Å; I675-D693 HydrophobicContact CD1-CB 4.19Å; I675-D693 HydrophobicContact CG1-CB 4.09Å; K678-D693 VanDerWaalsContact CD-OD2 3.28Å; K678-D693 WeakPolarHBondContact CD-OD2 3.39Å; K678-D693 WeakPolarHBondContact CE-OD2 3.35Å; K678-D693 IonicContact NZ-OD1 3.14Å; K678-D693 PolarHBondContact NZ-OD1 2.73Å; K678-D693 IonicContact NZ-OD2 2.63Å; K678-D693 PolarHBondContact NZ-OD2 3.33Å; Y684-D693 HydrophobicContact CE1-CB 4.21Å; Y684-D693 VanDerWaalsContact CE1-OD2 3.28Å; Y684-D693 WeakPolarHBondContact CE1-OD2 3.22Å; Y684-D693 VanDerWaalsContact CZ-OD2 3.3Å; Y684-D693 PolarHBondContact OH-OD2 3.35Å; E689-D693 PolarHBondContact O-N 3.19Å; V691-D693 VanDerWaalsContact C-N 3.34Å; D693-Q695 VanDerWaalsContact C-N 3.34Å; D693-L696 PolarHBondContact O-N 3.34Å; D693-M697 PolarHBondContact O-N 3.23Å |
| 694 | L | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -40.6 | 174.7 | -78.7 | 168.4 | 0 | 0 | 0 | 111.5 | V635 L672 I675 M690 V691 M697 F698 V722 | V635-L694 HydrophobicContact CG1-CD2 4.43Å; V635-L694 HydrophobicContact CG2-CD1 4.26Å; V635-L694 HydrophobicContact CG2-CD2 4.18Å; L672-L694 HydrophobicContact CD2-CD2 4.06Å; I675-L694 HydrophobicContact CD1-CD2 3.84Å; I675-L694 HydrophobicContact CD1-CG 4.14Å; I675-L694 HydrophobicContact CG2-CD2 4.46Å; M690-L694 HydrophobicContact CE-CD1 3.78Å; M690-L694 WeakPolarHBondContact O-CB 3.32Å; M690-L694 WeakPolarHBondContact O-CG 3.4Å; M690-L694 PolarHBondContact O-N 3.3Å; V691-L694 PolarHBondContact O-N 2.77Å; L694-M697 HydrophobicContact CD2-CE 4.23Å; L694-M697 VanDerWaalsContact O-CB 3.31Å; L694-M697 WeakPolarHBondContact O-CB 3.32Å; L694-M697 PolarHBondContact O-N 3.01Å; L694-F698 HydrophobicContact CB-CE2 3.97Å; L694-F698 HydrophobicContact CB-CZ 4.28Å; L694-F698 HydrophobicContact CD2-CZ 4.18Å; L694-F698 WeakPolarHBondContact O-CD2 3.19Å; L694-F698 WeakPolarHBondContact O-CE2 3.41Å; L694-F698 WeakPolarHBondContact O-CG 3.28Å; L694-F698 PolarHBondContact O-N 3.19Å; L694-V722 HydrophobicContact CD1-CG1 4.45Å; L694-V722 HydrophobicContact CD1-CG2 4.12Å |
| 695 | Q | 94.2 | Very high | 91.2 | Very high | 51 Ų | 51 | 43.1 Ų | 43.1 | 24% | 0.238 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.6 | -43.7 | 176.1 | -76.6 | 178.4 | -28.2 | 0 | 0 | 111.5 | V691 L692 D693 M697 F698 D699 | V691-Q695 HydrophobicContact CG1-CG 4.25Å; V691-Q695 WeakPolarHBondContact O-CB 3.47Å; V691-Q695 VanDerWaalsContact O-CG 3.27Å; V691-Q695 WeakPolarHBondContact O-CG 3.37Å; V691-Q695 PolarHBondContact O-N 2.93Å; L692-Q695 PolarHBondContact O-N 3.14Å; D693-Q695 VanDerWaalsContact C-N 3.34Å; Q695-M697 PolarHBondContact O-N 2.82Å; Q695-F698 PolarHBondContact O-N 3.32Å; Q695-F698 VanDerWaalsContact O-N 3.13Å; Q695-D699 WeakPolarHBondContact O-CB 3.47Å; Q695-D699 VanDerWaalsContact O-CG 3.32Å; Q695-D699 PolarHBondContact O-N 3.41Å |
| 696 | L | 94.5 | Very high | 91.4 | Very high | 59 Ų | 59 | 46.8 Ų | 46.8 | 31% | 0.309 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.7 | -40.1 | 172 | 178.2 | 62.8 | 0 | 0 | 0 | 111.6 | N668 I670 L692 D693 N700 | N668-L696 HydrophobicContact CB-CD1 4.26Å; N668-L696 HydrophobicContact CB-CD2 4.13Å; I670-L696 HydrophobicContact CB-CD2 4.48Å; I670-L696 HydrophobicContact CG2-CB 4.19Å; I670-L696 HydrophobicContact CG2-CD2 3.98Å; I670-L696 HydrophobicContact CG2-CG 3.8Å; L692-L696 WeakPolarHBondContact O-CB 3.44Å; L692-L696 PolarHBondContact O-N 2.97Å; D693-L696 PolarHBondContact O-N 3.34Å; L696-N700 WeakPolarHBondContact O-CB 3.31Å; L696-N700 PolarHBondContact O-N 3.4Å; L696-N700 PolarHBondContact O-ND2 3.44Å; L696-N700 PolarHBondContact O-OD1 3.41Å |
| 697 | M | 95.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 175.7 | -162.3 | -172.1 | 71.8 | 0 | 0 | 112.5 | F650 I670 L672 I675 D693 L694 Q695 A701 | F650-M697 HydrophobicContact CB-CE 3.81Å; F650-M697 HydrophobicContact CB-SD 3.94Å; F650-M697 HydrophobicContact CD1-CE 3.84Å; F650-M697 HydrophobicContact CD1-CG 4.08Å; F650-M697 HydrophobicContact CD1-SD 4.36Å; F650-M697 HydrophobicContact CG-CE 4.05Å; I670-M697 HydrophobicContact CG2-CB 3.81Å; I670-M697 HydrophobicContact CG2-CG 4.27Å; L672-M697 HydrophobicContact CD2-CE 3.78Å; L672-M697 HydrophobicContact CD2-SD 3.75Å; L672-M697 HydrophobicContact CG-CE 3.94Å; L672-M697 HydrophobicContact CG-SD 3.65Å; I675-M697 HydrophobicContact CD1-CB 4.21Å; I675-M697 HydrophobicContact CD1-SD 3.85Å; D693-M697 PolarHBondContact O-N 3.23Å; L694-M697 HydrophobicContact CD2-CE 4.23Å; L694-M697 VanDerWaalsContact O-CB 3.31Å; L694-M697 WeakPolarHBondContact O-CB 3.32Å; L694-M697 PolarHBondContact O-N 3.01Å; Q695-M697 PolarHBondContact O-N 2.82Å; M697-A701 PolarHBondContact O-N 3.09Å |
| 698 | F | 94.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.6 | -42.2 | 177.3 | -54.1 | -40.8 | 0 | 0 | 0 | 112.2 | F650 L694 Q695 A701 C702 A715 L718 D719 V722 | F650-F698 HydrophobicContact CE1-CD1 4.41Å; L694-F698 HydrophobicContact CB-CE2 3.97Å; L694-F698 HydrophobicContact CB-CZ 4.28Å; L694-F698 HydrophobicContact CD2-CZ 4.18Å; L694-F698 WeakPolarHBondContact O-CD2 3.19Å; L694-F698 WeakPolarHBondContact O-CE2 3.41Å; L694-F698 WeakPolarHBondContact O-CG 3.28Å; L694-F698 PolarHBondContact O-N 3.19Å; Q695-F698 PolarHBondContact O-N 3.32Å; Q695-F698 VanDerWaalsContact O-N 3.13Å; F698-A701 PolarHBondContact O-N 2.7Å; F698-C702 PolarHBondContact O-N 2.9Å; F698-C702 PolarHBondContact O-SG 3.49Å; F698-A715 HydrophobicContact CB-CB 4.12Å; F698-A715 HydrophobicContact CD1-CB 4.46Å; F698-L718 HydrophobicContact CD1-CB 4.09Å; F698-L718 HydrophobicContact CE1-CB 3.32Å; F698-L718 HydrophobicContact CE1-CD1 3.91Å; F698-L718 HydrophobicContact CE1-CG 4.28Å; F698-L718 HydrophobicContact CE2-CB 4.47Å; F698-L718 HydrophobicContact CZ-CB 3.56Å; F698-D719 HydrophobicContact CB-CB 4.43Å; F698-D719 HydrophobicContact CD2-CB 3.56Å; F698-D719 HydrophobicContact CE2-CB 4.05Å; F698-D719 HydrophobicContact CG-CB 4.12Å; F698-V722 HydrophobicContact CE2-CB 4.49Å; F698-V722 HydrophobicContact CE2-CG2 4.01Å; F698-V722 HydrophobicContact CZ-CG2 4.1Å |
| 699 | D | 93.9 | Very high | 91.4 | Very high | 80 Ų | 80 | 51.7 Ų | 51.7 | 43% | 0.428 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69 | -37.7 | 180 | -70.9 | -27 | 0 | 0 | 0 | 111.2 | Q695 A701 C702 N703 | Q695-D699 WeakPolarHBondContact O-CB 3.47Å; Q695-D699 VanDerWaalsContact O-CG 3.32Å; Q695-D699 PolarHBondContact O-N 3.41Å; D699-A701 VanDerWaalsContact C-N 3.34Å; D699-A701 PolarHBondContact O-N 2.85Å; D699-C702 CarbonylContact O-C 3.5Å; D699-C702 PolarHBondContact O-N 2.86Å; D699-C702 VanDerWaalsContact O-N 3.16Å; D699-N703 VanDerWaalsContact O-CB 3.28Å; D699-N703 WeakPolarHBondContact O-CB 3.46Å; D699-N703 PolarHBondContact O-N 3.27Å; D699-N703 PolarHBondContact O-ND2 2.99Å |
| 700 | N | 92.3 | Very high | 91.3 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.043 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.3 | -47.4 | 170.7 | -77 | -17 | 0 | 0 | 0 | 111.5 | I666 N668 L696 C702 N703 Y704 | I666-N700 HydrophobicContact CD1-CB 4.35Å; I666-N700 WeakPolarHBondContact CD1-O 3.47Å; I666-N700 HydrophobicContact CG2-CB 3.93Å; I666-N700 VanDerWaalsContact CG2-CG 3.41Å; I666-N700 WeakPolarHBondContact CG2-OD1 3.46Å; N668-N700 PolarHBondContact O-ND2 3.41Å; L696-N700 WeakPolarHBondContact O-CB 3.31Å; L696-N700 PolarHBondContact O-N 3.4Å; L696-N700 PolarHBondContact O-ND2 3.44Å; L696-N700 PolarHBondContact O-OD1 3.41Å; N700-C702 VanDerWaalsContact C-N 3.34Å; N700-C702 PolarHBondContact O-N 2.82Å; N700-N703 PolarHBondContact O-N 3.33Å; N700-Y704 PolarHBondContact O-N 2.68Å; N700-Y704 VanDerWaalsContact O-N 3.11Å |
| 701 | A | 91.5 | Very high | 91.1 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 5% | 0.05 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | F650 M697 F698 D699 N703 N705 V711 A715 | F650-A701 HydrophobicContact CD1-CB 4.47Å; F650-A701 HydrophobicContact CE1-CB 3.5Å; F650-A701 HydrophobicContact CZ-CB 4.06Å; M697-A701 PolarHBondContact O-N 3.09Å; F698-A701 PolarHBondContact O-N 2.7Å; D699-A701 VanDerWaalsContact C-N 3.34Å; D699-A701 PolarHBondContact O-N 2.85Å; A701-N703 VanDerWaalsContact C-N 3.35Å; A701-N705 WeakPolarHBondContact O-CB 3.37Å; A701-N705 PolarHBondContact O-N 3.39Å; A701-N705 VanDerWaalsContact O-N 3.09Å; A701-N705 PolarHBondContact O-ND2 3.22Å; A701-V711 HydrophobicContact CB-CG1 4.2Å; A701-A715 HydrophobicContact CB-CB 3.99Å |
| 702 | C | 92.4 | Very high | 91.2 | Very high | 14 Ų | 14 | 54 Ų | 54 | 10% | 0.095 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.8 | -24.3 | 176.8 | -62.9 | 0 | 0 | 0 | 0 | 114 | F698 D699 N700 Y712 K716 | F698-C702 PolarHBondContact O-N 2.9Å; F698-C702 PolarHBondContact O-SG 3.49Å; D699-C702 CarbonylContact O-C 3.5Å; D699-C702 PolarHBondContact O-N 2.86Å; D699-C702 VanDerWaalsContact O-N 3.16Å; N700-C702 VanDerWaalsContact C-N 3.34Å; N700-C702 PolarHBondContact O-N 2.82Å; C702-Y712 HydrophobicContact CB-CD2 3.94Å; C702-Y712 HydrophobicContact CB-CE2 3.76Å; C702-K716 WeakPolarHBondContact SG-CE 3.42Å; C702-K716 PolarHBondContact SG-NZ 3.31Å |
| 703 | N | 90.6 | Very high | 91.2 | Very high | 114 Ų | 114 | 52.4 Ų | 52.4 | 61% | 0.61 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -88.3 | -23.8 | -179.9 | -70.4 | -28.6 | 0 | 0 | 0 | 112.8 | I666 D699 N700 A701 | I666-N703 HydrophobicContact CD1-CB 3.92Å; D699-N703 VanDerWaalsContact O-CB 3.28Å; D699-N703 WeakPolarHBondContact O-CB 3.46Å; D699-N703 PolarHBondContact O-N 3.27Å; D699-N703 PolarHBondContact O-ND2 2.99Å; N700-N703 PolarHBondContact O-N 3.33Å; A701-N703 VanDerWaalsContact C-N 3.35Å |
| 704 | Y | 92 | Very high | 91.1 | Very high | 64 Ų | 64 | 51.8 Ų | 51.8 | 25% | 0.251 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -94.8 | -40.9 | 177.9 | -178.3 | -104.4 | 0 | 0 | 0 | 113.5 | D661 Y662 V665 N700 | D661-Y704 PolarHBondContact OD2-OH 3.26Å; Y662-Y704 VanDerWaalsContact CA-CE2 3.42Å; Y662-Y704 AromaticContact CD2-CD1 3.63Å; Y662-Y704 HydrophobicContact CD2-CD1 3.63Å; Y662-Y704 AromaticContact CD2-CD2 3.71Å; Y662-Y704 HydrophobicContact CD2-CD2 3.71Å; Y662-Y704 AromaticContact CD2-CE1 3.84Å; Y662-Y704 HydrophobicContact CD2-CE1 3.84Å; Y662-Y704 AromaticContact CD2-CE2 3.93Å; Y662-Y704 HydrophobicContact CD2-CE2 3.93Å; Y662-Y704 AromaticContact CD2-CG 3.54Å; Y662-Y704 HydrophobicContact CD2-CG 3.54Å; Y662-Y704 AromaticContact CD2-CZ 3.97Å; Y662-Y704 HydrophobicContact CE2-CD1 4.12Å; Y662-Y704 AromaticContact CE2-CG 4Å; Y662-Y704 HydrophobicContact CE2-CG 4Å; Y662-Y704 HydrophobicContact CG-CD2 4.49Å; Y662-Y704 HydrophobicContact CG-CE2 4.4Å; V665-Y704 HydrophobicContact CB-CD2 4.19Å; V665-Y704 HydrophobicContact CG1-CD2 4.4Å; V665-Y704 HydrophobicContact CG2-CD2 4.46Å; N700-Y704 PolarHBondContact O-N 2.68Å; N700-Y704 VanDerWaalsContact O-N 3.11Å |
| 705 | N | 89.2 | Confident | 91.1 | Very high | 44 Ų | 44 | 51.8 Ų | 51.8 | 24% | 0.235 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -93.3 | 144.7 | -176.8 | -55.6 | -89.1 | 0 | 0 | 0 | 110.7 | A701 S709 V711 | A701-N705 WeakPolarHBondContact O-CB 3.37Å; A701-N705 PolarHBondContact O-N 3.39Å; A701-N705 VanDerWaalsContact O-N 3.09Å; A701-N705 PolarHBondContact O-ND2 3.22Å; N705-S709 WeakPolarHBondContact CB-OG 3.46Å; N705-V711 HydrophobicContact CB-CB 4.47Å |
| 706 | E | 84.1 | Confident | 91 | Very high | 172 Ų | 172 | 53.1 Ų | 53.1 | 80% | 0.804 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 146.7 | 177.7 | -62 | -173.4 | 145.8 | 0 | 0 | 112.4 | G708 S709 Y712 | E706-G708 PolarHBondContact O-N 3.45Å; E706-S709 VanDerWaalsContact O-CB 3.26Å; E706-S709 WeakPolarHBondContact O-CB 3.44Å; E706-S709 PolarHBondContact O-N 2.94Å; E706-S709 VanDerWaalsContact O-N 3.09Å; E706-S709 PolarHBondContact O-OG 2.91Å; E706-Y712 WeakPolarHBondContact O-CB 3.37Å |
| 707 | E | 86.9 | Confident | 90.9 | Very high | 159 Ų | 159 | 53.4 Ų | 53.4 | 74% | 0.743 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 127 | 179.5 | -54.1 | -147.7 | 120.7 | 0 | 0 | 111 | Y712 | E707-Y712 HydrophobicContact CB-CD2 4.41Å; E707-Y712 HydrophobicContact CB-CE1 4.45Å; E707-Y712 HydrophobicContact CB-CE2 4.05Å; E707-Y712 HydrophobicContact CG-CD2 4.32Å; E707-Y712 HydrophobicContact CG-CE2 3.62Å; E707-Y712 VanDerWaalsContact OE1-CZ 3.28Å; E707-Y712 PolarHBondContact OE1-OH 3.44Å |
| 708 | G | 81.3 | Confident | 90.8 | Very high | 47 Ų | 47 | 53.1 Ų | 53.1 | 49% | 0.485 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | -5.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E706 N713 | E706-G708 PolarHBondContact O-N 3.45Å; G708-N713 WeakPolarHBondContact CA-OD1 3.38Å; G708-N713 PolarHBondContact O-ND2 2.82Å |
| 709 | S | 91.4 | Very high | 90.7 | Very high | 38 Ų | 38 | 54.2 Ų | 54.2 | 27% | 0.266 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -61.2 | 156.6 | 165.5 | 64.1 | 0 | 0 | 0 | 0 | 111.6 | N705 E706 V711 Y712 N713 | N705-S709 WeakPolarHBondContact CB-OG 3.46Å; E706-S709 VanDerWaalsContact O-CB 3.26Å; E706-S709 WeakPolarHBondContact O-CB 3.44Å; E706-S709 PolarHBondContact O-N 2.94Å; E706-S709 VanDerWaalsContact O-N 3.09Å; E706-S709 PolarHBondContact O-OG 2.91Å; S709-V711 VanDerWaalsContact C-N 3.32Å; S709-V711 PolarHBondContact O-N 3.48Å; S709-Y712 PolarHBondContact O-N 3.09Å; S709-Y712 VanDerWaalsContact OG-CB 3.26Å; S709-Y712 WeakPolarHBondContact OG-CB 3.33Å; S709-Y712 PolarHBondContact OG-N 3.16Å; S709-N713 PolarHBondContact O-N 3.4Å; S709-N713 PolarHBondContact O-ND2 2.76Å; S709-N713 VanDerWaalsContact O-ND2 3.15Å |
| 710 | S | 86.3 | Confident | 90.5 | Very high | 77 Ų | 77 | 53.6 Ų | 53.6 | 54% | 0.538 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -54.9 | -49.5 | -179.2 | -162 | 0 | 0 | 0 | 0 | 111.2 | Y712 N713 D714 | S710-Y712 VanDerWaalsContact C-N 3.31Å; S710-Y712 PolarHBondContact O-N 3.38Å; S710-N713 CarbonylContact O-C 3.52Å; S710-N713 WeakPolarHBondContact O-CA 3.4Å; S710-N713 WeakPolarHBondContact O-CB 3.32Å; S710-N713 PolarHBondContact O-N 2.56Å; S710-D714 WeakPolarHBondContact O-CB 3.28Å; S710-D714 VanDerWaalsContact O-CG 3.31Å; S710-D714 PolarHBondContact O-N 3.08Å; S710-D714 PolarHBondContact OG-OD2 3.3Å |
| 711 | V | 89.6 | Confident | 90.5 | Very high | 30 Ų | 30 | 54.5 Ų | 54.5 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.6 | -37.9 | -177.8 | -160.3 | 0 | 0 | 0 | 0 | 112.1 | T649 F650 A701 N705 S709 A715 | T649-V711 HydrophobicContact CG2-CB 4.46Å; T649-V711 HydrophobicContact CG2-CG1 3.74Å; T649-V711 HydrophobicContact CG2-CG2 3.89Å; F650-V711 HydrophobicContact CE2-CG1 4.35Å; F650-V711 HydrophobicContact CZ-CG1 4Å; A701-V711 HydrophobicContact CB-CG1 4.2Å; N705-V711 HydrophobicContact CB-CB 4.47Å; S709-V711 VanDerWaalsContact C-N 3.32Å; S709-V711 PolarHBondContact O-N 3.48Å; V711-A715 WeakPolarHBondContact O-CB 3.42Å; V711-A715 PolarHBondContact O-N 3.13Å |
| 712 | Y | 93.8 | Very high | 90.4 | Very high | 28 Ų | 28 | 54.2 Ų | 54.2 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 172.6 | -174.5 | -72.2 | 0 | 0 | 0 | 111.1 | C702 E706 E707 S709 S710 A715 K716 | C702-Y712 HydrophobicContact CB-CD2 3.94Å; C702-Y712 HydrophobicContact CB-CE2 3.76Å; E706-Y712 WeakPolarHBondContact O-CB 3.37Å; E707-Y712 HydrophobicContact CB-CD2 4.41Å; E707-Y712 HydrophobicContact CB-CE1 4.45Å; E707-Y712 HydrophobicContact CB-CE2 4.05Å; E707-Y712 HydrophobicContact CG-CD2 4.32Å; E707-Y712 HydrophobicContact CG-CE2 3.62Å; E707-Y712 VanDerWaalsContact OE1-CZ 3.28Å; E707-Y712 PolarHBondContact OE1-OH 3.44Å; S709-Y712 PolarHBondContact O-N 3.09Å; S709-Y712 VanDerWaalsContact OG-CB 3.26Å; S709-Y712 WeakPolarHBondContact OG-CB 3.33Å; S709-Y712 PolarHBondContact OG-N 3.16Å; S710-Y712 VanDerWaalsContact C-N 3.31Å; S710-Y712 PolarHBondContact O-N 3.38Å; Y712-A715 WeakPolarHBondContact O-CB 3.42Å; Y712-A715 PolarHBondContact O-N 2.94Å; Y712-K716 HydrophobicContact CD1-CG 4.03Å; Y712-K716 HydrophobicContact CE1-CD 4.21Å; Y712-K716 HydrophobicContact CE1-CG 3.71Å; Y712-K716 WeakPolarHBondContact O-CG 3.45Å; Y712-K716 PolarHBondContact O-N 2.86Å; Y712-K716 WeakPolarHBondContact OH-CE 3.15Å |
| 713 | N | 91.2 | Very high | 90.2 | Very high | 82 Ų | 82 | 57.8 Ų | 57.8 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 179.9 | -62.6 | -30.2 | 0 | 0 | 0 | 111.9 | G708 S709 S710 A715 K716 L717 | G708-N713 WeakPolarHBondContact CA-OD1 3.38Å; G708-N713 PolarHBondContact O-ND2 2.82Å; S709-N713 PolarHBondContact O-N 3.4Å; S709-N713 PolarHBondContact O-ND2 2.76Å; S709-N713 VanDerWaalsContact O-ND2 3.15Å; S710-N713 CarbonylContact O-C 3.52Å; S710-N713 WeakPolarHBondContact O-CA 3.4Å; S710-N713 WeakPolarHBondContact O-CB 3.32Å; S710-N713 PolarHBondContact O-N 2.56Å; N713-A715 VanDerWaalsContact C-N 3.34Å; N713-K716 PolarHBondContact O-N 3.06Å; N713-L717 VanDerWaalsContact O-CB 3.25Å; N713-L717 WeakPolarHBondContact O-CB 3.39Å; N713-L717 PolarHBondContact O-N 2.99Å |
| 714 | D | 92.2 | Very high | 89.9 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 176 | -73.7 | -51.5 | 0 | 0 | 0 | 111 | H644 P646 F650 S710 L717 L718 | H644-D714 IonicContact CD2-OD1 2.67Å; H644-D714 IonicContact CE1-OD1 3.83Å; H644-D714 IonicContact NE2-OD1 3.89Å; H644-D714 PolarHBondContact NE2-OD1 3.48Å; H644-D714 IonicContact NE2-OD2 3.12Å; P646-D714 HydrophobicContact CB-CB 3.93Å; P646-D714 WeakPolarHBondContact CB-OD1 3.41Å; P646-D714 WeakPolarHBondContact CG-OD1 3.45Å; F650-D714 HydrophobicContact CE2-CB 4Å; F650-D714 HydrophobicContact CZ-CB 4.41Å; S710-D714 WeakPolarHBondContact O-CB 3.28Å; S710-D714 VanDerWaalsContact O-CG 3.31Å; S710-D714 PolarHBondContact O-N 3.08Å; S710-D714 PolarHBondContact OG-OD2 3.3Å; D714-L717 PolarHBondContact O-N 3.23Å; D714-L718 WeakPolarHBondContact O-CB 3.09Å; D714-L718 WeakPolarHBondContact O-CG 3.28Å; D714-L718 PolarHBondContact O-N 2.53Å |
| 715 | A | 94.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.9 | -50.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F650 F698 A701 V711 Y712 N713 L717 L718 D719 | F650-A715 HydrophobicContact CE1-CB 3.97Å; F650-A715 HydrophobicContact CZ-CB 3.76Å; F698-A715 HydrophobicContact CB-CB 4.12Å; F698-A715 HydrophobicContact CD1-CB 4.46Å; A701-A715 HydrophobicContact CB-CB 3.99Å; V711-A715 WeakPolarHBondContact O-CB 3.42Å; V711-A715 PolarHBondContact O-N 3.13Å; Y712-A715 WeakPolarHBondContact O-CB 3.42Å; Y712-A715 PolarHBondContact O-N 2.94Å; N713-A715 VanDerWaalsContact C-N 3.34Å; A715-L717 VanDerWaalsContact C-N 3.29Å; A715-L717 PolarHBondContact O-N 3.47Å; A715-L718 PolarHBondContact O-N 2.98Å; A715-D719 WeakPolarHBondContact O-CB 3.39Å; A715-D719 PolarHBondContact O-N 3.35Å |
| 716 | K | 92.5 | Very high | 89.1 | Confident | 79 Ų | 79 | 59.3 Ų | 59.3 | 34% | 0.343 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.7 | -33.5 | 177.3 | -60.8 | -51.7 | -174.1 | -163.3 | 0 | 112.2 | C702 Y712 N713 S720 | C702-K716 WeakPolarHBondContact SG-CE 3.42Å; C702-K716 PolarHBondContact SG-NZ 3.31Å; Y712-K716 HydrophobicContact CD1-CG 4.03Å; Y712-K716 HydrophobicContact CE1-CD 4.21Å; Y712-K716 HydrophobicContact CE1-CG 3.71Å; Y712-K716 WeakPolarHBondContact O-CG 3.45Å; Y712-K716 PolarHBondContact O-N 2.86Å; Y712-K716 WeakPolarHBondContact OH-CE 3.15Å; N713-K716 PolarHBondContact O-N 3.06Å; K716-S720 VanDerWaalsContact O-CB 3.32Å; K716-S720 WeakPolarHBondContact O-CB 3.28Å; K716-S720 PolarHBondContact O-N 3.2Å |
| 717 | L | 92.3 | Very high | 88.8 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 34% | 0.335 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.3 | -48.9 | 177 | 179.4 | 55.3 | 0 | 0 | 0 | 111.2 | F638 A640 P646 N713 D714 A715 S720 I721 | F638-L717 HydrophobicContact CE1-CD1 4.23Å; F638-L717 HydrophobicContact CE1-CD2 3.84Å; F638-L717 HydrophobicContact CE1-CG 3.81Å; F638-L717 HydrophobicContact CZ-CD1 4.26Å; F638-L717 HydrophobicContact CZ-CD2 4.5Å; F638-L717 HydrophobicContact CZ-CG 4.34Å; A640-L717 HydrophobicContact CB-CD2 4.14Å; P646-L717 HydrophobicContact CG-CD2 4.08Å; N713-L717 VanDerWaalsContact O-CB 3.25Å; N713-L717 WeakPolarHBondContact O-CB 3.39Å; N713-L717 PolarHBondContact O-N 2.99Å; D714-L717 PolarHBondContact O-N 3.23Å; A715-L717 VanDerWaalsContact C-N 3.29Å; A715-L717 PolarHBondContact O-N 3.47Å; L717-S720 WeakPolarHBondContact O-CB 3.4Å; L717-S720 PolarHBondContact O-N 3.41Å; L717-I721 WeakPolarHBondContact O-CG1 3.27Å; L717-I721 PolarHBondContact O-N 3.44Å |
| 718 | L | 93.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | 176.6 | -70.2 | 178.7 | 0 | 0 | 0 | 112.2 | V635 F638 P646 F650 F698 D714 A715 S720 I721 V722 | V635-L718 HydrophobicContact CG1-CD1 4.19Å; V635-L718 HydrophobicContact CG1-CD2 4.2Å; F638-L718 HydrophobicContact CB-CD2 4Å; F638-L718 HydrophobicContact CD1-CD2 3.77Å; F638-L718 HydrophobicContact CG-CD2 4.17Å; P646-L718 HydrophobicContact CB-CD1 4.05Å; P646-L718 HydrophobicContact CB-CD2 4.01Å; P646-L718 HydrophobicContact CB-CG 3.87Å; F650-L718 HydrophobicContact CD2-CD1 4.3Å; F650-L718 HydrophobicContact CE2-CD1 4.38Å; F698-L718 HydrophobicContact CD1-CB 4.09Å; F698-L718 HydrophobicContact CE1-CB 3.32Å; F698-L718 HydrophobicContact CE1-CD1 3.91Å; F698-L718 HydrophobicContact CE1-CG 4.28Å; F698-L718 HydrophobicContact CE2-CB 4.47Å; F698-L718 HydrophobicContact CZ-CB 3.56Å; D714-L718 WeakPolarHBondContact O-CB 3.09Å; D714-L718 WeakPolarHBondContact O-CG 3.28Å; D714-L718 PolarHBondContact O-N 2.53Å; A715-L718 PolarHBondContact O-N 2.98Å; L718-S720 VanDerWaalsContact C-N 3.35Å; L718-S720 PolarHBondContact O-N 3.43Å; L718-I721 PolarHBondContact O-N 3.29Å; L718-I721 VanDerWaalsContact O-N 3.16Å; L718-V722 WeakPolarHBondContact O-CG2 3.12Å; L718-V722 PolarHBondContact O-N 2.94Å |
| 719 | D | 92.4 | Very high | 87 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.2 | -45.6 | 171.7 | 171.6 | 56.4 | 0 | 0 | 0 | 111.9 | F698 A715 I721 V722 K723 | F698-D719 HydrophobicContact CB-CB 4.43Å; F698-D719 HydrophobicContact CD2-CB 3.56Å; F698-D719 HydrophobicContact CE2-CB 4.05Å; F698-D719 HydrophobicContact CG-CB 4.12Å; A715-D719 WeakPolarHBondContact O-CB 3.39Å; A715-D719 PolarHBondContact O-N 3.35Å; D719-I721 VanDerWaalsContact C-N 3.32Å; D719-I721 PolarHBondContact O-N 3.19Å; D719-V722 PolarHBondContact O-N 3.4Å; D719-K723 WeakPolarHBondContact O-CB 3.15Å; D719-K723 WeakPolarHBondContact O-CG 3.42Å; D719-K723 PolarHBondContact O-N 3.16Å; D719-K723 WeakPolarHBondContact OD1-CD 3.32Å; D719-K723 WeakPolarHBondContact OD1-CE 3.41Å; D719-K723 IonicContact OD1-NZ 3.48Å; D719-K723 PolarHBondContact OD1-NZ 3.49Å; D719-K723 WeakPolarHBondContact OD2-CD 3.47Å; D719-K723 WeakPolarHBondContact OD2-CE 3.4Å; D719-K723 IonicContact OD2-NZ 2.74Å; D719-K723 PolarHBondContact OD2-NZ 2.9Å |
| 720 | S | 91.1 | Very high | 85 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 47% | 0.469 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 175.1 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | K716 L717 L718 K723 K724 | K716-S720 VanDerWaalsContact O-CB 3.32Å; K716-S720 WeakPolarHBondContact O-CB 3.28Å; K716-S720 PolarHBondContact O-N 3.2Å; L717-S720 WeakPolarHBondContact O-CB 3.4Å; L717-S720 PolarHBondContact O-N 3.41Å; L718-S720 VanDerWaalsContact C-N 3.35Å; L718-S720 PolarHBondContact O-N 3.43Å; S720-K723 PolarHBondContact O-N 2.93Å; S720-K724 VanDerWaalsContact O-CB 3.27Å; S720-K724 WeakPolarHBondContact O-CB 3.4Å; S720-K724 PolarHBondContact O-N 2.9Å |
| 721 | I | 90.9 | Very high | 82.4 | Confident | 26 Ų | 26 | 58.1 Ų | 58.1 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.4 | -42 | 175.8 | -69 | -65.9 | 0 | 0 | 0 | 111.8 | T634 F638 L717 L718 D719 K724 R725 | T634-I721 HydrophobicContact CG2-CG2 3.8Å; F638-I721 HydrophobicContact CD1-CG1 4.48Å; F638-I721 HydrophobicContact CD2-CD1 3.97Å; F638-I721 HydrophobicContact CD2-CG1 3.9Å; F638-I721 HydrophobicContact CD2-CG2 4.1Å; F638-I721 HydrophobicContact CE1-CG1 4.24Å; F638-I721 HydrophobicContact CE2-CD1 3.42Å; F638-I721 VanDerWaalsContact CE2-CD1 3.42Å; F638-I721 HydrophobicContact CE2-CG1 3.64Å; F638-I721 HydrophobicContact CG-CG1 4.32Å; F638-I721 HydrophobicContact CG-CG2 4.45Å; F638-I721 HydrophobicContact CZ-CD1 3.88Å; F638-I721 HydrophobicContact CZ-CG1 3.82Å; L717-I721 WeakPolarHBondContact O-CG1 3.27Å; L717-I721 PolarHBondContact O-N 3.44Å; L718-I721 PolarHBondContact O-N 3.29Å; L718-I721 VanDerWaalsContact O-N 3.16Å; D719-I721 VanDerWaalsContact C-N 3.32Å; D719-I721 PolarHBondContact O-N 3.19Å; I721-K724 WeakPolarHBondContact O-CB 3.49Å; I721-K724 PolarHBondContact O-N 2.85Å; I721-R725 PolarHBondContact O-N 3.25Å |
| 722 | V | 90 | Very high | 79.6 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 173.1 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | V635 V691 L694 F698 L718 D719 K724 R725 L726 | V635-V722 HydrophobicContact CG2-CG2 3.4Å; V635-V722 VanDerWaalsContact CG2-CG2 3.4Å; V691-V722 HydrophobicContact CG2-CG1 4.3Å; L694-V722 HydrophobicContact CD1-CG1 4.45Å; L694-V722 HydrophobicContact CD1-CG2 4.12Å; F698-V722 HydrophobicContact CE2-CB 4.49Å; F698-V722 HydrophobicContact CE2-CG2 4.01Å; F698-V722 HydrophobicContact CZ-CG2 4.1Å; L718-V722 WeakPolarHBondContact O-CG2 3.12Å; L718-V722 PolarHBondContact O-N 2.94Å; D719-V722 PolarHBondContact O-N 3.4Å; V722-K724 PolarHBondContact O-N 2.94Å; V722-R725 PolarHBondContact O-N 3.37Å; V722-L726 HydrophobicContact CG1-CD1 3.86Å; V722-L726 HydrophobicContact CG1-CG 4.39Å; V722-L726 WeakPolarHBondContact O-CG 3.3Å; V722-L726 PolarHBondContact O-N 3.37Å |
| 723 | K | 87.1 | Confident | 76.4 | Confident | 88 Ų | 88 | 69.5 Ų | 69.5 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.3 | -25.8 | 174.8 | -74.4 | 169.4 | 174.5 | 156.7 | 0 | 113.1 | D719 S720 R727 | D719-K723 WeakPolarHBondContact O-CB 3.15Å; D719-K723 WeakPolarHBondContact O-CG 3.42Å; D719-K723 PolarHBondContact O-N 3.16Å; D719-K723 WeakPolarHBondContact OD1-CD 3.32Å; D719-K723 WeakPolarHBondContact OD1-CE 3.41Å; D719-K723 IonicContact OD1-NZ 3.48Å; D719-K723 PolarHBondContact OD1-NZ 3.49Å; D719-K723 WeakPolarHBondContact OD2-CD 3.47Å; D719-K723 WeakPolarHBondContact OD2-CE 3.4Å; D719-K723 IonicContact OD2-NZ 2.74Å; D719-K723 PolarHBondContact OD2-NZ 2.9Å; S720-K723 PolarHBondContact O-N 2.93Å; K723-R727 PolarHBondContact O-NE 2.85Å; K723-R727 PolarHBondContact O-NH2 2.66Å |
| 724 | K | 86 | Confident | 73.2 | Confident | 142 Ų | 142 | 69.4 Ų | 69.4 | 62% | 0.617 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -77 | -39.8 | 171.1 | -173.4 | 178.5 | 179.9 | -178.1 | 0 | 111.4 | S720 I721 V722 | S720-K724 VanDerWaalsContact O-CB 3.27Å; S720-K724 WeakPolarHBondContact O-CB 3.4Å; S720-K724 PolarHBondContact O-N 2.9Å; I721-K724 WeakPolarHBondContact O-CB 3.49Å; I721-K724 PolarHBondContact O-N 2.85Å; V722-K724 PolarHBondContact O-N 2.94Å |
| 725 | R | 84 | Confident | 70.1 | Confident | 82 Ų | 82 | 74.3 Ų | 74.3 | 31% | 0.309 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -71.6 | -39.3 | 179 | -160.7 | 61 | 157.3 | 175.5 | -6.3 | 112.8 | N630 L631 T634 I721 V722 R727 T728 F729 | N630-R725 VanDerWaalsContact OD1-CZ 3.31Å; N630-R725 PolarHBondContact OD1-NE 3.48Å; N630-R725 VanDerWaalsContact OD1-NE 3.07Å; N630-R725 PolarHBondContact OD1-NH2 2.85Å; L631-R725 HydrophobicContact CD2-CB 4.25Å; L631-R725 HydrophobicContact CD2-CG 4.23Å; T634-R725 HydrophobicContact CG2-CB 4.09Å; T634-R725 HydrophobicContact CG2-CG 3.9Å; T634-R725 PolarHBondContact OG1-NE 2.95Å; I721-R725 PolarHBondContact O-N 3.25Å; V722-R725 PolarHBondContact O-N 3.37Å; R725-R727 VanDerWaalsContact C-N 3.28Å; R725-R727 PolarHBondContact O-N 3.04Å; R725-T728 WeakPolarHBondContact O-CA 3.24Å; R725-T728 WeakPolarHBondContact O-CB 3.48Å; R725-T728 PolarHBondContact O-N 2.97Å; R725-T728 PolarHBondContact O-OG1 3.4Å; R725-F729 HydrophobicContact CG-CE2 3.94Å; R725-F729 HydrophobicContact CG-CZ 4.28Å |
| 726 | L | 80.2 | Confident | 66.9 | Low | 31 Ų | 31 | 79.6 Ų | 79.6 | 16% | 0.162 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -56.8 | -39.7 | 177.5 | -76.4 | 162.9 | 0 | 0 | 0 | 113.2 | L631 V691 V722 T728 F729 V730 | L631-L726 HydrophobicContact CD1-CD2 4.27Å; L631-L726 HydrophobicContact CD2-CD2 4.2Å; L631-L726 HydrophobicContact CD2-CG 4.24Å; V691-L726 HydrophobicContact CB-CD1 4.4Å; V691-L726 HydrophobicContact CG1-CD1 3.82Å; V691-L726 HydrophobicContact CG2-CD1 3.64Å; V691-L726 HydrophobicContact CG2-CD2 3.6Å; V691-L726 HydrophobicContact CG2-CG 4.07Å; V722-L726 HydrophobicContact CG1-CD1 3.86Å; V722-L726 HydrophobicContact CG1-CG 4.39Å; V722-L726 WeakPolarHBondContact O-CG 3.3Å; V722-L726 PolarHBondContact O-N 3.37Å; L726-T728 PolarHBondContact O-N 2.84Å; L726-F729 HydrophobicContact CD2-CD2 4.48Å; L726-F729 PolarHBondContact O-N 3.47Å; L726-V730 PolarHBondContact O-N 2.73Å |
| 727 | R | 77.1 | Confident | 63.7 | Low | 167 Ų | 167 | 83.5 Ų | 83.5 | 63% | 0.63 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -56.8 | -24.1 | 174.1 | -75.7 | 177.7 | -97.5 | -172.8 | -6.1 | 113.2 | K723 R725 S731 | K723-R727 PolarHBondContact O-NE 2.85Å; K723-R727 PolarHBondContact O-NH2 2.66Å; R725-R727 VanDerWaalsContact C-N 3.28Å; R725-R727 PolarHBondContact O-N 3.04Å; R727-S731 PolarHBondContact O-OG 2.97Å |
| 728 | T | 68.9 | Low | 60.6 | Low | 77 Ų | 77 | 91.2 Ų | 91.2 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -81.9 | -21.9 | 175.3 | 71.9 | 0 | 0 | 0 | 0 | 114.1 | R725 L726 | R725-T728 WeakPolarHBondContact O-CA 3.24Å; R725-T728 WeakPolarHBondContact O-CB 3.48Å; R725-T728 PolarHBondContact O-N 2.97Å; R725-T728 PolarHBondContact O-OG1 3.4Å; L726-T728 PolarHBondContact O-N 2.84Å |
| 729 | F | 62.2 | Low | 57.5 | Low | 34 Ų | 34 | 96.2 Ų | 96.2 | 15% | 0.149 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -84.2 | -32.1 | 173.9 | -60 | -57.3 | 0 | 0 | 0 | 112.8 | R627 N630 L631 H687 R725 L726 S731 | R627-F729 HydrophobicContact CB-CD1 4.39Å; R627-F729 HydrophobicContact CB-CE1 4.33Å; R627-F729 HydrophobicContact CG-CD1 3.72Å; R627-F729 HydrophobicContact CG-CE1 3.97Å; R627-F729 HydrophobicContact CG-CG 4.32Å; N630-F729 HydrophobicContact CB-CE1 4.34Å; N630-F729 HydrophobicContact CB-CZ 3.88Å; L631-F729 HydrophobicContact CD1-CE2 4.43Å; L631-F729 HydrophobicContact CD2-CD2 4.35Å; L631-F729 HydrophobicContact CD2-CE2 3.67Å; L631-F729 HydrophobicContact CG-CD2 4.44Å; L631-F729 HydrophobicContact CG-CE2 3.67Å; L631-F729 HydrophobicContact CG-CZ 4.39Å; H687-F729 AromaticContact CD2-CD2 4Å; R725-F729 HydrophobicContact CG-CE2 3.94Å; R725-F729 HydrophobicContact CG-CZ 4.28Å; L726-F729 HydrophobicContact CD2-CD2 4.48Å; L726-F729 PolarHBondContact O-N 3.47Å; F729-S731 PolarHBondContact O-N 2.79Å |
| 730 | V | 48.6 | Very low | 54.3 | Low | 93 Ų | 93 | 102.1 Ų | 102.1 | 56% | 0.564 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -66.8 | -17.5 | 178.4 | 177.1 | 0 | 0 | 0 | 0 | 112.6 | L726 Y732 | L726-V730 PolarHBondContact O-N 2.73Å; V730-Y732 PolarHBondContact O-N 3.46Å |
| 731 | S | 32.5 | Very low | 51.4 | Low | 97 Ų | 97 | 104.4 Ų | 104.4 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -77.5 | 27.6 | -179.1 | -62.9 | 0 | 0 | 0 | 0 | 115.1 | R727 F729 | R727-S731 PolarHBondContact O-OG 2.97Å; F729-S731 PolarHBondContact O-N 2.79Å |
| 732 | Y | 29.4 | Very low | 48.3 | Very low | 189 Ų | 189 | 107.8 Ų | 107.8 | 74% | 0.741 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -127.3 | 13.4 | 172.4 | -113.7 | -72.9 | 0 | 0 | 0 | 114.9 | R424 V730 | R424-Y732 PolarHBondContact NH2-OH 3.28Å; V730-Y732 PolarHBondContact O-N 3.46Å |
| 733 | S | 27.6 | Very low | 45.3 | Very low | 107 Ų | 107 | 118.7 Ų | 118.7 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -130.5 | 102.3 | 161.1 | 50.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 734 | G | 24.8 | Very low | 42.4 | Very low | 80 Ų | 80 | 119.1 Ų | 119.1 | 83% | 0.825 | 64% | 0.64 | S | S | * | * | trans | 164.7 | 138.9 | 178 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 735 | S | 25.3 | Very low | 39.4 | Very low | 110 Ų | 110 | 117 Ų | 117 | 77% | 0.769 | 64% | 0.643 | S | S | * | * | cis | -136.8 | 174 | 8 | -152.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 736 | V | 27.8 | Very low | 36.4 | Very low | 111 Ų | 111 | 120.3 Ų | 120.3 | 67% | 0.673 | 67% | 0.666 | S | S | * | * | S | Bend | cis | -147.9 | 130.2 | 29.5 | -176.7 | 0 | 0 | 0 | 0 | 106.8 | ||
| 737 | N | 26.2 | Very low | 33.7 | Very low | 161 Ų | 161 | 124.5 Ų | 124.5 | 86% | 0.861 | 69% | 0.693 | S | S | * | * | -148.2 | 126.7 | 90.6 | -93.4 | -42.4 | 0 | 0 | 0 | 112.9 | |||||
| 738 | R | 25.7 | Very low | 31.3 | Very low | 226 Ų | 226 | 122.9 Ų | 122.9 | 85% | 0.853 | 70% | 0.702 | S | S | * | * | trans | -121 | 151 | 159.3 | -138.8 | -178.4 | -169.3 | -165.1 | 4.2 | 105.2 | ||||
| 739 | P | 28.8 | Very low | 29.2 | Very low | 106 Ų | 106 | 127 Ų | 127 | 69% | 0.688 | 72% | 0.716 | S | S | * | * | -154.6 | 143.1 | 101.1 | 35.4 | -16.7 | 0 | 0 | 0 | 117 | |||||
| 740 | I | 25.3 | Very low | 27.7 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | trans | 68.8 | 145 | 132.8 | -62.1 | 173.1 | 0 | 0 | 0 | 116.4 | ||||
| 741 | T | 30.7 | Very low | 26.4 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | cis | -138.4 | 133.8 | 17.7 | -4.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 742 | S | 26.9 | Very low | 26 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | 59.7 | 142.5 | 98 | 90.3 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 743 | R | 26.1 | Very low | 25.8 | Very low | 229 Ų | 229 | 131.7 Ų | 131.7 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | cis | -166.4 | 164.6 | 1.2 | -131.9 | 178.6 | -177.7 | 171.9 | -0.3 | 110.3 | ||||
| 744 | S | 25.6 | Very low | 25.6 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | trans | 11.3 | 151.7 | 141 | -62 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 745 | S | 23 | Very low | 25.5 | Very low | 96 Ų | 96 | 137 Ų | 137 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | cis | -179.9 | 169.3 | -5.6 | -91.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 746 | L | 22.6 | Very low | 25.4 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | 80.4 | 119.9 | 152.9 | -70.5 | 155.5 | 0 | 0 | 0 | 122.3 | ||||
| 747 | T | 22.7 | Very low | 25.3 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | trans | 76.9 | 141.5 | 132.3 | 52.5 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 748 | T | 26.6 | Very low | 25.3 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | trans | 87.7 | 95.8 | 153.8 | 10.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 749 | E | 24.8 | Very low | 25.4 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | trans | -45.8 | 168.3 | 137.6 | -81.5 | -77.6 | 131.6 | 0 | 0 | 112.7 | ||||
| 750 | P | 30.3 | Very low | 25.4 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | cis | -148.1 | 176.7 | 26.8 | 45 | -25.9 | 0 | 0 | 0 | 119.4 | ||||
| 751 | L | 22.5 | Very low | 25.4 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | 64.6 | 144 | 144.9 | -75.8 | 164.5 | 0 | 0 | 0 | 119.9 | ||||
| 752 | T | 23.7 | Very low | 25.1 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 66% | 0.656 | 73% | 0.73 | S | S | * | * | cis | -152.9 | 160 | -5.5 | -22.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 753 | Q | 24.9 | Very low | 25.2 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | trans | -20 | 148 | 165.7 | -63 | 163.7 | -24.4 | 0 | 0 | 123.7 | ||||
| 754 | Q | 23.3 | Very low | 25.1 | Very low | 164 Ų | 164 | 128.4 Ų | 128.4 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | 105.3 | 136.5 | 124.1 | -97.7 | -179.2 | -11.7 | 0 | 0 | 124.6 | |||||
| 755 | L | 23.1 | Very low | 25.3 | Very low | 135 Ų | 135 | 129 Ų | 129 | 71% | 0.707 | 73% | 0.728 | S | S | * | * | trans | 77.7 | 91.5 | 149.9 | -67.9 | 165.6 | 0 | 0 | 0 | 121.9 | ||||
| 756 | D | 22.8 | Very low | 25.6 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | 58.7 | 141.4 | 121.2 | -74 | -28 | 0 | 0 | 0 | 125.1 | |||||
| 757 | S | 26.1 | Very low | 25.9 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | trans | 78.3 | 141.4 | 156.9 | -56.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 758 | S | 26.4 | Very low | 26 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | cis | -173.4 | 132.8 | -23.5 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 759 | N | 28.1 | Very low | 26.1 | Very low | 142 Ų | 142 | 130.6 Ų | 130.6 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | trans | 65.9 | 164.6 | 148.4 | -123 | -1.8 | 0 | 0 | 0 | 117.1 | ||||
| 760 | I | 28 | Very low | 26.2 | Very low | 137 Ų | 137 | 129 Ų | 129 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | cis | -133.3 | 164.5 | 10.6 | -66.3 | -176.9 | 0 | 0 | 0 | 111.8 | ||||
| 761 | Q | 25.4 | Very low | 26.4 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | -61.8 | -169.3 | 170.7 | -43.9 | 115.4 | -27.6 | 0 | 0 | 114.1 | ||||
| 762 | S | 24.6 | Very low | 26.4 | Very low | 85 Ų | 85 | 127.3 Ų | 127.3 | 59% | 0.594 | 74% | 0.735 | S | S | * | * | cis | -158.7 | 162.5 | 4.4 | 23.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 763 | H | 28.5 | Very low | 26.5 | Very low | 175 Ų | 175 | 128 Ų | 128 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | -168.1 | 155.9 | 65.9 | -83.6 | -100.6 | 0 | 0 | 0 | 108.6 | |||||
| 764 | A | 24.7 | Very low | 26.6 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 61% | 0.612 | 74% | 0.74 | S | S | * | * | cis | 108.5 | 100.6 | 13.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 765 | S | 30.3 | Very low | 26.8 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -162.2 | 134 | 147.5 | -77.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 766 | L | 28 | Very low | 26.8 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | cis | 85.6 | 125.1 | 35.1 | -63.7 | 168.8 | 0 | 0 | 0 | 112.6 | ||||
| 767 | V | 29.2 | Very low | 27.3 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | cis | -155.5 | 174.4 | -13.3 | -137.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 768 | N | 25.8 | Very low | 27.4 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | 86.5 | 109.6 | 153.8 | -75.9 | 5.8 | 0 | 0 | 0 | 122.2 | ||||
| 769 | T | 28.8 | Very low | 27.5 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | trans | 75.1 | 100.9 | 143.4 | 30.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 770 | V | 26.6 | Very low | 27.7 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | 67.4 | 143.4 | 117 | 169.9 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 771 | P | 33 | Very low | 28.1 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | cis | -127 | 158.5 | 10.8 | 22.4 | 1.2 | 0 | 0 | 0 | 118.5 | ||||
| 772 | A | 23.3 | Very low | 29.2 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | 45.8 | 127.8 | 144 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 773 | V | 25.3 | Very low | 31.1 | Very low | 122 Ų | 122 | 128 Ų | 128 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | -170.5 | 145.8 | 64.4 | 158.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 774 | H | 27.3 | Very low | 33.6 | Very low | 168 Ų | 168 | 122.4 Ų | 122.4 | 78% | 0.778 | 73% | 0.727 | S | S | * | * | trans | 77.2 | 147.3 | 158.9 | -83 | -17.7 | 0 | 0 | 0 | 124.6 | ||||
| 775 | H | 27.5 | Very low | 36.3 | Very low | 161 Ų | 161 | 121.4 Ų | 121.4 | 75% | 0.745 | 71% | 0.711 | S | S | * | * | trans | 64.7 | 152.3 | 169.4 | -80.1 | 28.8 | 0 | 0 | 0 | 119 | ||||
| 776 | Q | 23.9 | Very low | 38.9 | Very low | 156 Ų | 156 | 118.4 Ų | 118.4 | 73% | 0.729 | 69% | 0.687 | S | S | * | * | cis | -179.7 | 102.6 | -32.9 | 175.4 | 178.2 | 27.5 | 0 | 0 | 107.5 | ||||
| 777 | Q | 32.3 | Very low | 41.6 | Very low | 186 Ų | 186 | 112 Ų | 112 | 87% | 0.869 | 65% | 0.652 | S | S | * | * | trans | -143.9 | 120.5 | 173.1 | -89.1 | -176.5 | -7.5 | 0 | 0 | 113.9 | ||||
| 778 | S | 28.6 | Very low | 44.2 | Very low | 112 Ų | 112 | 112.5 Ų | 112.5 | 78% | 0.783 | 64% | 0.641 | S | S | * | * | trans | 26.8 | 101 | 148.4 | 55.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 779 | G | 27.8 | Very low | 47.2 | Very low | 81 Ų | 81 | 105.8 Ų | 105.8 | 84% | 0.835 | 61% | 0.605 | S | S | * | * | 45 | 118.1 | 125.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 780 | Q | 32.2 | Very low | 50.2 | Low | 182 Ų | 182 | 100.1 Ų | 100.1 | 85% | 0.85 | 57% | 0.57 | S | S | * | * | trans | -133.2 | 148 | 155.3 | -74.7 | -168.8 | -13.9 | 0 | 0 | 110.8 | ||||
| 781 | P | 37.7 | Very low | 53.2 | Low | 119 Ų | 119 | 94 Ų | 94 | 77% | 0.773 | 53% | 0.533 | S | S | * | . | trans | -78.9 | 123.8 | 177.8 | 31.2 | -33.4 | 0 | 0 | 0 | 111.8 | C783 | P781-C783 PolarHBondContact O-N 3.01Š| ||
| 782 | T | 48.8 | Very low | 55.9 | Low | 139 Ų | 139 | 91.7 Ų | 91.7 | 85% | 0.853 | 51% | 0.512 | S | S | * | . | trans | -82.8 | 98.3 | -176.1 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 783 | C | 64.5 | Low | 59.1 | Low | 31 Ų | 31 | 87.3 Ų | 87.3 | 21% | 0.209 | 48% | 0.476 | C | S | . | . | trans | -54.2 | 137.9 | 174.5 | -178.9 | 0 | 0 | 0 | 0 | 112.8 | P781 Q787 R788 | P781-C783 PolarHBondContact O-N 3.01Å; C783-Q787 PolarHBondContact SG-OE1 2.92Å; C783-R788 HydrophobicContact CB-CG 4.39Å; C783-R788 PolarHBondContact O-NE 3.46Å; C783-R788 PolarHBondContact O-NH2 3.37Å | ||
| 784 | S | 79.6 | Confident | 62.3 | Low | 58 Ų | 58 | 81.5 Ų | 81.5 | 41% | 0.406 | 44% | 0.441 | S | S | . | . | trans | -68.1 | 163.2 | -176.7 | 80.9 | 0 | 0 | 0 | 0 | 112.6 | Q787 R788 | S784-Q787 VanDerWaalsContact OG-CB 3.27Å; S784-Q787 WeakPolarHBondContact OG-CB 3.38Å; S784-Q787 PolarHBondContact OG-N 2.72Å; S784-Q787 VanDerWaalsContact OG-N 3.13Å; S784-R788 WeakPolarHBondContact O-CB 3.33Å; S784-R788 PolarHBondContact O-N 3.39Å; S784-R788 PolarHBondContact O-NE 3.21Å | ||
| 785 | L | 82 | Confident | 65.3 | Low | 52 Ų | 52 | 73.5 Ų | 73.5 | 27% | 0.272 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 178.2 | -175.8 | 64.3 | 0 | 0 | 0 | 111.7 | Q787 R788 V789 A897 L898 | L785-Q787 VanDerWaalsContact C-N 3.34Å; L785-Q787 PolarHBondContact O-N 3.31Å; L785-R788 PolarHBondContact O-N 2.87Å; L785-V789 WeakPolarHBondContact O-CG2 3.47Å; L785-V789 PolarHBondContact O-N 3.4Å; L785-A897 HydrophobicContact CD2-CB 3.49Å; L785-A897 VanDerWaalsContact CD2-CB 3.49Å; L785-L898 HydrophobicContact CB-CD2 4.27Å; L785-L898 HydrophobicContact CD2-CD2 4.03Å; L785-L898 HydrophobicContact CD2-CG 4.35Å; L785-L898 HydrophobicContact CG-CD2 3.93Å |
| 786 | L | 84.3 | Confident | 68.3 | Low | 48 Ų | 48 | 66.7 Ų | 66.7 | 25% | 0.251 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 176.4 | 179.8 | 62.9 | 0 | 0 | 0 | 111 | V789 M790 F848 L898 | L786-V789 PolarHBondContact O-N 2.98Å; L786-M790 HydrophobicContact CD1-CE 4.01Å; L786-M790 HydrophobicContact CD2-CE 4.11Å; L786-M790 HydrophobicContact CG-CE 3.85Å; L786-M790 HydrophobicContact CG-SD 4.23Å; L786-M790 WeakPolarHBondContact O-CG 3.35Å; L786-M790 PolarHBondContact O-N 3.42Å; L786-F848 HydrophobicContact CD1-CB 3.94Å; L786-L898 HydrophobicContact CB-CD2 3.99Å; L786-L898 HydrophobicContact CD1-CD2 4.25Å |
| 787 | Q | 84.6 | Confident | 71.5 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 5% | 0.051 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67 | -39.2 | 179.6 | -169.7 | -178.8 | 19.8 | 0 | 0 | 111.9 | C783 S784 L785 V789 M790 L791 L840 | C783-Q787 PolarHBondContact SG-OE1 2.92Å; S784-Q787 VanDerWaalsContact OG-CB 3.27Å; S784-Q787 WeakPolarHBondContact OG-CB 3.38Å; S784-Q787 PolarHBondContact OG-N 2.72Å; S784-Q787 VanDerWaalsContact OG-N 3.13Å; L785-Q787 VanDerWaalsContact C-N 3.34Å; L785-Q787 PolarHBondContact O-N 3.31Å; Q787-V789 VanDerWaalsContact C-N 3.34Å; Q787-V789 PolarHBondContact O-N 3.36Å; Q787-M790 PolarHBondContact O-N 3.45Å; Q787-L791 HydrophobicContact CG-CD1 4.14Å; Q787-L791 HydrophobicContact CG-CG 4.44Å; Q787-L791 WeakPolarHBondContact O-CB 3.49Å; Q787-L791 WeakPolarHBondContact O-CD1 3.28Å; Q787-L791 WeakPolarHBondContact O-CG 3.37Å; Q787-L791 PolarHBondContact O-N 3.42Å; Q787-L840 PolarHBondContact NE2-O 2.85Å |
| 788 | R | 85.3 | Confident | 74.3 | Confident | 133 Ų | 133 | 51.9 Ų | 51.9 | 50% | 0.502 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.6 | -45.4 | 171.1 | -85.6 | 177.9 | -91.7 | 168.9 | -11.2 | 112.3 | C783 S784 L785 L791 E792 | C783-R788 HydrophobicContact CB-CG 4.39Å; C783-R788 PolarHBondContact O-NE 3.46Å; C783-R788 PolarHBondContact O-NH2 3.37Å; S784-R788 WeakPolarHBondContact O-CB 3.33Å; S784-R788 PolarHBondContact O-N 3.39Å; S784-R788 PolarHBondContact O-NE 3.21Å; L785-R788 PolarHBondContact O-N 2.87Å; R788-L791 PolarHBondContact O-N 3.39Å; R788-E792 PolarHBondContact O-N 2.9Å |
| 789 | V | 88.8 | Confident | 77.1 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 178.4 | 163.6 | 0 | 0 | 0 | 0 | 112.2 | L785 L786 Q787 L793 F848 L890 H894 L898 | L785-V789 WeakPolarHBondContact O-CG2 3.47Å; L785-V789 PolarHBondContact O-N 3.4Å; L786-V789 PolarHBondContact O-N 2.98Å; Q787-V789 VanDerWaalsContact C-N 3.34Å; Q787-V789 PolarHBondContact O-N 3.36Å; V789-L793 PolarHBondContact O-N 3.43Å; V789-F848 HydrophobicContact CG1-CD2 3.77Å; V789-F848 HydrophobicContact CG1-CE2 3.59Å; V789-L890 HydrophobicContact CG1-CB 4.05Å; V789-L890 HydrophobicContact CG1-CD1 4.41Å; V789-L890 WeakPolarHBondContact O-CD1 3.39Å; V789-H894 HydrophobicContact CG2-CB 4.4Å; V789-L898 HydrophobicContact CG1-CD1 4.3Å; V789-L898 HydrophobicContact CG2-CD1 4.39Å |
| 790 | M | 91.3 | Very high | 79.9 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65 | -44.4 | 171.3 | -68.3 | 165.5 | 166.3 | 0 | 0 | 112.2 | L786 Q787 L793 F794 L840 D847 F848 F851 | L786-M790 HydrophobicContact CD1-CE 4.01Å; L786-M790 HydrophobicContact CD2-CE 4.11Å; L786-M790 HydrophobicContact CG-CE 3.85Å; L786-M790 HydrophobicContact CG-SD 4.23Å; L786-M790 WeakPolarHBondContact O-CG 3.35Å; L786-M790 PolarHBondContact O-N 3.42Å; Q787-M790 PolarHBondContact O-N 3.45Å; M790-L793 PolarHBondContact O-N 3.46Å; M790-F794 PolarHBondContact O-N 2.87Å; M790-L840 HydrophobicContact CB-CD1 3.57Å; M790-L840 HydrophobicContact CB-CD2 4.42Å; M790-L840 HydrophobicContact CG-CD1 4.35Å; M790-L840 HydrophobicContact SD-CD1 3.93Å; M790-D847 VanDerWaalsContact CE-C 3.48Å; M790-D847 WeakPolarHBondContact CE-O 3.26Å; M790-F848 HydrophobicContact CG-CD2 4.24Å; M790-F851 HydrophobicContact CB-CD1 3.92Å; M790-F851 HydrophobicContact CB-CE1 4.06Å; M790-F851 HydrophobicContact CB-CG 4.29Å; M790-F851 HydrophobicContact CE-CB 4.07Å; M790-F851 HydrophobicContact CG-CB 4.3Å; M790-F851 HydrophobicContact CG-CD1 3.8Å; M790-F851 HydrophobicContact CG-CE1 4.42Å; M790-F851 HydrophobicContact CG-CG 4.08Å; M790-F851 WeakPolarHBondContact O-CE1 3.37Å; M790-F851 WeakPolarHBondContact O-CZ 3.46Å; M790-F851 HydrophobicContact SD-CB 4.45Å |
| 791 | L | 89.4 | Confident | 82.6 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 178.4 | -72.2 | 165.6 | 0 | 0 | 0 | 111.9 | Q787 R788 L793 F794 Q795 L840 A1514 F1515 V1518 | Q787-L791 HydrophobicContact CG-CD1 4.14Å; Q787-L791 HydrophobicContact CG-CG 4.44Å; Q787-L791 WeakPolarHBondContact O-CB 3.49Å; Q787-L791 WeakPolarHBondContact O-CD1 3.28Å; Q787-L791 WeakPolarHBondContact O-CG 3.37Å; Q787-L791 PolarHBondContact O-N 3.42Å; R788-L791 PolarHBondContact O-N 3.39Å; L791-L793 VanDerWaalsContact C-N 3.34Å; L791-L793 PolarHBondContact O-N 2.92Å; L791-F794 PolarHBondContact O-N 3.18Å; L791-Q795 PolarHBondContact O-N 3.27Å; L791-L840 HydrophobicContact CD2-CD2 3.8Å; L791-L840 HydrophobicContact CD2-CG 4Å; L791-L840 HydrophobicContact CG-CD2 4.29Å; L791-L840 HydrophobicContact CG-CG 4.48Å; L791-A1514 HydrophobicContact CB-CB 4.25Å; L791-F1515 HydrophobicContact CD1-CD2 4.4Å; L791-V1518 HydrophobicContact CD2-CB 3.94Å; L791-V1518 HydrophobicContact CD2-CG1 4.35Å; L791-V1518 HydrophobicContact CD2-CG2 3.47Å; L791-V1518 VanDerWaalsContact CD2-CG2 3.47Å |
| 792 | E | 88.9 | Confident | 84.8 | Confident | 65 Ų | 65 | 35.8 Ų | 35.8 | 30% | 0.304 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.7 | -38.9 | 175.7 | -85.7 | -162.1 | -120.4 | 0 | 0 | 113.1 | R788 A796 K886 L890 | R788-E792 PolarHBondContact O-N 2.9Å; E792-A796 WeakPolarHBondContact O-CB 3.37Å; E792-A796 PolarHBondContact O-N 2.82Å; E792-A796 VanDerWaalsContact O-N 3.12Å; E792-K886 IonicContact OE2-NZ 2.84Å; E792-K886 PolarHBondContact OE2-NZ 2.91Å; E792-L890 HydrophobicContact CB-CD1 3.98Å; E792-L890 HydrophobicContact CB-CD2 4.1Å |
| 793 | L | 91.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.6 | -42.4 | 175.9 | 178.5 | 57.3 | 0 | 0 | 0 | 111.5 | V789 M790 L791 Q795 A796 V797 F848 F851 L855 C883 K886 R887 L890 | V789-L793 PolarHBondContact O-N 3.43Å; M790-L793 PolarHBondContact O-N 3.46Å; L791-L793 VanDerWaalsContact C-N 3.34Å; L791-L793 PolarHBondContact O-N 2.92Å; L793-Q795 PolarHBondContact O-N 3.19Å; L793-A796 PolarHBondContact O-N 3.38Å; L793-V797 PolarHBondContact O-N 3.22Å; L793-F848 HydrophobicContact CD2-CE1 4.44Å; L793-F848 HydrophobicContact CD2-CE2 4.04Å; L793-F848 HydrophobicContact CD2-CZ 3.58Å; L793-F851 HydrophobicContact CB-CE1 4.07Å; L793-F851 HydrophobicContact CD2-CE1 3.96Å; L793-F851 HydrophobicContact CG-CE1 4.09Å; L793-L855 HydrophobicContact CG-CD1 4.36Å; L793-C883 WeakPolarHBondContact CD1-O 3.38Å; L793-K886 HydrophobicContact CD1-CB 3.85Å; L793-K886 HydrophobicContact CD1-CG 4.01Å; L793-R887 HydrophobicContact CD2-CB 4.19Å; L793-L890 HydrophobicContact CB-CD1 3.87Å |
| 794 | F | 93 | Very high | 86.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.6 | -48.3 | 175.7 | -179.7 | -93 | 0 | 0 | 0 | 111.7 | M790 L791 V797 R798 L833 V836 A837 L840 F851 V1518 A1521 | M790-F794 PolarHBondContact O-N 2.87Å; L791-F794 PolarHBondContact O-N 3.18Å; F794-V797 PolarHBondContact O-N 2.93Å; F794-R798 HydrophobicContact CE1-CB 4.26Å; F794-R798 HydrophobicContact CE1-CG 4.5Å; F794-R798 WeakPolarHBondContact O-CB 3.45Å; F794-R798 PolarHBondContact O-N 3.08Å; F794-L833 HydrophobicContact CD2-CD1 4.11Å; F794-L833 HydrophobicContact CE2-CD1 3.51Å; F794-L833 HydrophobicContact CE2-CG 3.75Å; F794-L833 HydrophobicContact CZ-CD1 4.24Å; F794-L833 HydrophobicContact CZ-CG 4Å; F794-V836 HydrophobicContact CD2-CG1 4.11Å; F794-V836 HydrophobicContact CE2-CB 4.49Å; F794-V836 HydrophobicContact CE2-CG1 4.18Å; F794-A837 HydrophobicContact CE1-CB 4.28Å; F794-A837 HydrophobicContact CE2-CB 3.93Å; F794-A837 HydrophobicContact CZ-CB 3.54Å; F794-L840 HydrophobicContact CB-CD2 3.83Å; F794-L840 HydrophobicContact CD2-CD2 4.43Å; F794-L840 HydrophobicContact CG-CD2 4.13Å; F794-F851 HydrophobicContact CB-CE2 4.36Å; F794-F851 HydrophobicContact CB-CZ 3.82Å; F794-F851 HydrophobicContact CD2-CE2 4.34Å; F794-F851 HydrophobicContact CD2-CZ 4.47Å; F794-V1518 HydrophobicContact CD1-CB 4.36Å; F794-V1518 HydrophobicContact CD1-CG1 4.15Å; F794-V1518 HydrophobicContact CD1-CG2 3.39Å; F794-V1518 HydrophobicContact CE1-CB 4.29Å; F794-V1518 HydrophobicContact CE1-CG1 3.98Å; F794-V1518 HydrophobicContact CE1-CG2 3.71Å; F794-V1518 HydrophobicContact CG-CG2 4.29Å; F794-V1518 HydrophobicContact CZ-CG1 4.42Å; F794-A1521 HydrophobicContact CE1-CB 4.41Å; F794-A1521 HydrophobicContact CZ-CB 4.33Å |
| 795 | Q | 89.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.5 | -40.5 | 179.5 | -73.5 | -166.2 | -77.2 | 0 | 0 | 113 | L791 L793 V797 R798 E799 L1511 C1517 | L791-Q795 PolarHBondContact O-N 3.27Å; L793-Q795 PolarHBondContact O-N 3.19Å; Q795-V797 PolarHBondContact O-N 3.08Å; Q795-R798 PolarHBondContact O-N 3.28Å; Q795-R798 VanDerWaalsContact O-N 3.12Å; Q795-E799 PolarHBondContact NE2-OE1 2.95Å; Q795-E799 WeakPolarHBondContact O-CB 3.46Å; Q795-E799 PolarHBondContact O-N 2.87Å; Q795-L1511 HydrophobicContact CB-CD1 3.89Å; Q795-L1511 HydrophobicContact CG-CD1 4.49Å; Q795-C1517 HydrophobicContact CG-CB 4.45Å; Q795-C1517 PolarHBondContact NE2-SG 3.38Å |
| 796 | A | 89.6 | Confident | 87.5 | Confident | 18 Ų | 18 | 40.1 Ų | 40.1 | 15% | 0.149 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.2 | -29.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E792 L793 V882 K886 | E792-A796 WeakPolarHBondContact O-CB 3.37Å; E792-A796 PolarHBondContact O-N 2.82Å; E792-A796 VanDerWaalsContact O-N 3.12Å; L793-A796 PolarHBondContact O-N 3.38Å; A796-V882 WeakPolarHBondContact O-CG1 3.24Å; A796-K886 HydrophobicContact CB-CB 4.12Å; A796-K886 HydrophobicContact CB-CD 4.1Å; A796-K886 HydrophobicContact CB-CG 3.68Å |
| 797 | V | 91.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -80.4 | -43.5 | 172 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | L793 F794 Q795 L855 F859 L879 C883 | L793-V797 PolarHBondContact O-N 3.22Å; F794-V797 PolarHBondContact O-N 2.93Å; Q795-V797 PolarHBondContact O-N 3.08Å; V797-L855 HydrophobicContact CG2-CD1 4.49Å; V797-F859 HydrophobicContact CG1-CE1 4.5Å; V797-F859 HydrophobicContact CG1-CZ 3.92Å; V797-L879 HydrophobicContact CG1-CD2 4.37Å; V797-L879 WeakPolarHBondContact O-CD2 3.47Å; V797-C883 HydrophobicContact CG2-CB 3.68Å |
| 798 | R | 90.5 | Very high | 88 | Confident | 32 Ų | 32 | 37.4 Ų | 37.4 | 12% | 0.121 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68 | -37.6 | -177.3 | -168.4 | -169.4 | 73.4 | 134.5 | 4.6 | 113.7 | F794 Q795 V806 S808 L833 C1517 | F794-R798 HydrophobicContact CE1-CB 4.26Å; F794-R798 HydrophobicContact CE1-CG 4.5Å; F794-R798 WeakPolarHBondContact O-CB 3.45Å; F794-R798 PolarHBondContact O-N 3.08Å; Q795-R798 PolarHBondContact O-N 3.28Å; Q795-R798 VanDerWaalsContact O-N 3.12Å; R798-V806 VanDerWaalsContact O-CG1 3.29Å; R798-V806 WeakPolarHBondContact O-CG1 3.45Å; R798-S808 PolarHBondContact O-OG 3.27Å; R798-L833 HydrophobicContact CB-CD2 4.36Å; R798-L833 HydrophobicContact CG-CD2 4.36Å; R798-C1517 PolarHBondContact NH1-O 3.46Å; R798-C1517 VanDerWaalsContact NH2-CB 3.33Å; R798-C1517 PolarHBondContact NH2-SG 3.46Å |
| 799 | E | 87.4 | Confident | 88.2 | Confident | 46 Ų | 46 | 36 Ų | 36 | 22% | 0.215 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -100.6 | -0.6 | -167.5 | -68.7 | 166.6 | -147.1 | 0 | 0 | 113.3 | Q795 Q801 | Q795-E799 PolarHBondContact NE2-OE1 2.95Å; Q795-E799 WeakPolarHBondContact O-CB 3.46Å; Q795-E799 PolarHBondContact O-N 2.87Å; E799-Q801 PolarHBondContact O-N 3.02Å; E799-Q801 PolarHBondContact O-NE2 2.82Å |
| 800 | Y | 88.4 | Confident | 88.1 | Confident | 10 Ų | 10 | 39.2 Ų | 39.2 | 4% | 0.039 | 21% | 0.214 | C | C | . | . | trans | -65.3 | 128.1 | -179.3 | -163.6 | -99 | 0 | 0 | 0 | 112.3 | I802 L807 I878 V882 Q1506 | Y800-I802 HydrophobicContact CE1-CD1 4.09Å; Y800-I802 HydrophobicContact CE1-CG1 3.87Å; Y800-L807 HydrophobicContact CD1-CD1 4.01Å; Y800-L807 HydrophobicContact CE1-CD1 4.35Å; Y800-L807 PolarHBondContact O-N 3.28Å; Y800-I878 HydrophobicContact CD1-CG2 4.31Å; Y800-I878 HydrophobicContact CE1-CG2 3.73Å; Y800-V882 HydrophobicContact CD1-CG2 3.88Å; Y800-V882 HydrophobicContact CD2-CB 4.4Å; Y800-V882 HydrophobicContact CD2-CG1 3.84Å; Y800-V882 HydrophobicContact CD2-CG2 3.62Å; Y800-V882 HydrophobicContact CE1-CG2 3.74Å; Y800-V882 HydrophobicContact CE2-CG1 4.34Å; Y800-V882 HydrophobicContact CE2-CG2 3.47Å; Y800-V882 VanDerWaalsContact CE2-CG2 3.47Å; Y800-V882 HydrophobicContact CG-CG1 4.19Å; Y800-V882 HydrophobicContact CG-CG2 3.82Å; Y800-Q1506 HydrophobicContact CD2-CB 4.35Å; Y800-Q1506 HydrophobicContact CE2-CB 4.16Å | ||
| 801 | Q | 88.1 | Confident | 88.1 | Confident | 74 Ų | 74 | 39.7 Ų | 39.7 | 35% | 0.346 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.8 | -174.6 | -75.4 | 167.4 | 53.6 | 0 | 0 | 112.2 | E799 R805 V806 Q1506 | E799-Q801 PolarHBondContact O-N 3.02Å; E799-Q801 PolarHBondContact O-NE2 2.82Å; Q801-R805 WeakPolarHBondContact CA-O 3.3Å; Q801-V806 HydrophobicContact CG-CB 4.27Å; Q801-V806 HydrophobicContact CG-CG2 3.55Å; Q801-Q1506 PolarHBondContact O-NE2 3.36Å; Q801-Q1506 PolarHBondContact O-OE1 3.13Å |
| 802 | I | 83.7 | Confident | 88 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 13% | 0.128 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.3 | 164.5 | -65.4 | -175.7 | 0 | 0 | 0 | 107.7 | Y800 G804 R805 L807 I878 | Y800-I802 HydrophobicContact CE1-CD1 4.09Å; Y800-I802 HydrophobicContact CE1-CG1 3.87Å; I802-G804 PolarHBondContact O-N 2.94Å; I802-G804 VanDerWaalsContact O-N 3.09Å; I802-R805 PolarHBondContact N-O 2.93Å; I802-R805 VanDerWaalsContact N-O 3.14Å; I802-R805 WeakPolarHBondContact O-CB 3.34Å; I802-R805 PolarHBondContact O-N 3.48Å; I802-L807 HydrophobicContact CB-CD2 4.42Å; I802-L807 HydrophobicContact CD1-CD1 4.09Å; I802-L807 HydrophobicContact CG1-CD1 4.23Å; I802-I878 HydrophobicContact CD1-CD1 3.92Å; I802-I878 HydrophobicContact CD1-CG2 3.9Å |
| 803 | N | 80.7 | Confident | 87.9 | Confident | 160 Ų | 160 | 46.1 Ų | 46.1 | 86% | 0.856 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 35 | 179 | -56.2 | -24.5 | 0 | 0 | 0 | 113.9 | R805 | N803-R805 VanDerWaalsContact C-N 3.28Å; N803-R805 PolarHBondContact O-N 3.41Å |
| 804 | G | 77.8 | Confident | 87.6 | Confident | 61 Ų | 61 | 47.6 Ų | 47.6 | 63% | 0.629 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -5.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | I802 | I802-G804 PolarHBondContact O-N 2.94Å; I802-G804 VanDerWaalsContact O-N 3.09Å |
| 805 | R | 85.2 | Confident | 87.1 | Confident | 115 Ų | 115 | 49.9 Ų | 49.9 | 43% | 0.434 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 118.2 | 172.8 | -168.7 | 174.4 | 81.4 | -145.7 | 0.7 | 109.9 | Q801 I802 N803 L807 D875 | Q801-R805 WeakPolarHBondContact CA-O 3.3Å; I802-R805 PolarHBondContact N-O 2.93Å; I802-R805 VanDerWaalsContact N-O 3.14Å; I802-R805 WeakPolarHBondContact O-CB 3.34Å; I802-R805 PolarHBondContact O-N 3.48Å; N803-R805 VanDerWaalsContact C-N 3.28Å; N803-R805 PolarHBondContact O-N 3.41Å; R805-L807 PolarHBondContact O-N 2.98Å; R805-D875 IonicContact CZ-OD1 3.4Å; R805-D875 IonicContact CZ-OD2 3.91Å; R805-D875 IonicContact NE-OD2 3.42Å; R805-D875 PolarHBondContact NE-OD2 2.97Å; R805-D875 IonicContact NH2-OD1 2.84Å; R805-D875 PolarHBondContact NH2-OD1 2.87Å; R805-D875 IonicContact NH2-OD2 2.68Å; R805-D875 PolarHBondContact NH2-OD2 2.71Å |
| 806 | V | 88.9 | Confident | 86.7 | Confident | 35 Ų | 35 | 52 Ų | 52 | 21% | 0.212 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 115.5 | 167.8 | 176.5 | 0 | 0 | 0 | 0 | 108.3 | R798 Q801 S808 | R798-V806 VanDerWaalsContact O-CG1 3.29Å; R798-V806 WeakPolarHBondContact O-CG1 3.45Å; Q801-V806 HydrophobicContact CG-CB 4.27Å; Q801-V806 HydrophobicContact CG-CG2 3.55Å; V806-S808 VanDerWaalsContact C-N 3.31Å; V806-S808 PolarHBondContact O-N 3.4Å |
| 807 | L | 89.6 | Confident | 86.4 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -22.4 | -173.5 | -53.4 | -171.6 | 0 | 0 | 0 | 112.7 | Y800 I802 R805 N809 P810 F811 D875 I878 L879 | Y800-L807 HydrophobicContact CD1-CD1 4.01Å; Y800-L807 HydrophobicContact CE1-CD1 4.35Å; Y800-L807 PolarHBondContact O-N 3.28Å; I802-L807 HydrophobicContact CB-CD2 4.42Å; I802-L807 HydrophobicContact CD1-CD1 4.09Å; I802-L807 HydrophobicContact CG1-CD1 4.23Å; R805-L807 PolarHBondContact O-N 2.98Å; L807-N809 VanDerWaalsContact C-N 3.26Å; L807-N809 PolarHBondContact O-N 3.16Å; L807-P810 VanDerWaalsContact O-CD 3.29Å; L807-P810 WeakPolarHBondContact O-CD 3.21Å; L807-F811 WeakPolarHBondContact O-CE2 3.48Å; L807-D875 HydrophobicContact CB-CB 4.37Å; L807-D875 WeakPolarHBondContact CD2-OD2 3.24Å; L807-I878 HydrophobicContact CD1-CB 4.07Å; L807-I878 HydrophobicContact CD1-CD1 4.48Å; L807-I878 HydrophobicContact CD1-CG2 3.64Å; L807-L879 HydrophobicContact CB-CD1 4.03Å; L807-L879 HydrophobicContact CB-CD2 3.96Å; L807-L879 HydrophobicContact CB-CG 3.91Å |
| 808 | S | 89.5 | Confident | 85.8 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -11.6 | -177.3 | 78.1 | 0 | 0 | 0 | 0 | 114.4 | R798 V806 F811 M812 | R798-S808 PolarHBondContact O-OG 3.27Å; V806-S808 VanDerWaalsContact C-N 3.31Å; V806-S808 PolarHBondContact O-N 3.4Å; S808-F811 PolarHBondContact O-N 2.83Å; S808-M812 PolarHBondContact O-N 3.33Å |
| 809 | N | 89 | Confident | 85.4 | Confident | 103 Ų | 103 | 70.9 Ų | 70.9 | 55% | 0.551 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -55.6 | -44.5 | -172 | -76.5 | -8 | 0 | 0 | 0 | 114.3 | L807 F811 M812 | L807-N809 VanDerWaalsContact C-N 3.26Å; L807-N809 PolarHBondContact O-N 3.16Å; N809-F811 PolarHBondContact O-N 3.02Å; N809-F811 VanDerWaalsContact O-N 3.16Å; N809-M812 PolarHBondContact O-N 3.11Å |
| 810 | P | 87 | Confident | 85.3 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 45% | 0.448 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -65 | -16.3 | 178.2 | -21.4 | 34.9 | 0 | 0 | 0 | 114.5 | L807 | L807-P810 VanDerWaalsContact O-CD 3.29Å; L807-P810 WeakPolarHBondContact O-CD 3.21Å |
| 811 | F | 91.1 | Very high | 84.9 | Confident | 15 Ų | 15 | 73.7 Ų | 73.7 | 7% | 0.066 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -101.9 | -3.3 | -175.6 | -47.8 | -91.1 | 0 | 0 | 0 | 112.8 | L807 S808 N809 R813 L833 M858 A862 I872 T876 L879 | L807-F811 WeakPolarHBondContact O-CE2 3.48Å; S808-F811 PolarHBondContact O-N 2.83Å; N809-F811 PolarHBondContact O-N 3.02Å; N809-F811 VanDerWaalsContact O-N 3.16Å; F811-R813 VanDerWaalsContact C-N 3.33Å; F811-R813 PolarHBondContact O-N 2.87Å; F811-L833 WeakPolarHBondContact O-CB 3.41Å; F811-L833 PolarHBondContact O-N 3.5Å; F811-M858 HydrophobicContact CB-CE 3.91Å; F811-M858 HydrophobicContact CB-CG 4.34Å; F811-M858 HydrophobicContact CB-SD 3.71Å; F811-M858 HydrophobicContact CD1-CE 4.37Å; F811-M858 HydrophobicContact CD1-CG 4.33Å; F811-M858 HydrophobicContact CG-CE 4.18Å; F811-M858 HydrophobicContact CG-SD 4.46Å; F811-A862 HydrophobicContact CD1-CB 4.47Å; F811-A862 HydrophobicContact CE1-CB 3.72Å; F811-I872 HydrophobicContact CE1-CG2 4.07Å; F811-I872 HydrophobicContact CZ-CG2 3.96Å; F811-T876 WeakPolarHBondContact CE1-OG1 3.3Å; F811-T876 VanDerWaalsContact CZ-OG1 3.24Å; F811-T876 WeakPolarHBondContact CZ-OG1 3.26Å; F811-L879 HydrophobicContact CD2-CD1 4.09Å; F811-L879 HydrophobicContact CE2-CD1 3.88Å |
| 812 | M | 87.8 | Confident | 84.7 | Confident | 40 Ų | 40 | 71.8 Ų | 71.8 | 20% | 0.197 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -63.5 | -37.1 | -177.1 | -78.4 | -62.3 | -56.2 | 0 | 0 | 113 | S808 N809 L833 Q834 A1521 | S808-M812 PolarHBondContact O-N 3.33Å; N809-M812 PolarHBondContact O-N 3.11Å; M812-L833 HydrophobicContact SD-CB 4.27Å; M812-L833 HydrophobicContact SD-CD2 3.99Å; M812-L833 HydrophobicContact SD-CG 4.38Å; M812-Q834 HydrophobicContact CE-CB 4.41Å; M812-Q834 WeakPolarHBondContact O-CB 3.38Å; M812-Q834 PolarHBondContact O-N 2.81Å; M812-A1521 HydrophobicContact CE-CB 4.21Å |
| 813 | R | 86 | Confident | 84.8 | Confident | 163 Ų | 163 | 71.7 Ų | 71.7 | 62% | 0.615 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -141.6 | 142.4 | -178.8 | 169.2 | 172 | 168.4 | 161.6 | -3.8 | 110.5 | F811 E832 | F811-R813 VanDerWaalsContact C-N 3.33Å; F811-R813 PolarHBondContact O-N 2.87Å; R813-E832 WeakPolarHBondContact CA-OE2 3.26Å |
| 814 | L | 85.7 | Confident | 85.1 | Confident | 31 Ų | 31 | 67.1 Ų | 67.1 | 16% | 0.162 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 140 | 172.3 | -72.4 | 167 | 0 | 0 | 0 | 111.8 | Y823 P830 E832 | L814-Y823 HydrophobicContact CD2-CE1 3.72Å; L814-P830 HydrophobicContact CD1-CB 3.84Å; L814-P830 HydrophobicContact CD1-CG 4.46Å; L814-P830 HydrophobicContact CD2-CB 4.12Å; L814-E832 HydrophobicContact CD1-CG 4.08Å; L814-E832 HydrophobicContact CG-CB 3.98Å; L814-E832 HydrophobicContact CG-CG 3.96Å; L814-E832 PolarHBondContact N-OE2 3.48Å |
| 815 | P | 82.8 | Confident | 85.5 | Confident | 48 Ų | 48 | 69.9 Ų | 69.9 | 31% | 0.312 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 139.3 | 163.9 | -20.1 | 31.9 | 0 | 0 | 0 | 109.7 | E819 L820 Y824 | P815-E819 WeakPolarHBondContact CA-OE2 3.49Å; P815-E819 HydrophobicContact CB-CB 4.35Å; P815-L820 HydrophobicContact CB-CB 4.01Å; P815-L820 HydrophobicContact CG-CD2 4.35Å; P815-Y824 WeakPolarHBondContact O-CE2 3.4Å; P815-Y824 PolarHBondContact O-OH 2.87Å |
| 816 | T | 81.3 | Confident | 85.3 | Confident | 43 Ų | 43 | 71.7 Ų | 71.7 | 26% | 0.264 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 158.6 | 179.3 | 72.4 | 0 | 0 | 0 | 0 | 111.4 | N818 E819 L820 | T816-N818 PolarHBondContact O-N 3.5Å; T816-E819 VanDerWaalsContact CB-OE1 3.31Å; T816-E819 WeakPolarHBondContact CB-OE1 3.47Å; T816-E819 WeakPolarHBondContact CG2-OE1 3.37Å; T816-E819 PolarHBondContact N-OE2 3.15Å; T816-E819 PolarHBondContact O-N 3.28Å; T816-E819 WeakPolarHBondContact OG1-CG 3.36Å; T816-E819 PolarHBondContact OG1-N 3.01Å; T816-E819 PolarHBondContact OG1-OE1 3.45Å; T816-L820 PolarHBondContact O-N 2.81Å |
| 817 | R | 82.6 | Confident | 85.3 | Confident | 173 Ų | 173 | 70.4 Ų | 70.4 | 65% | 0.653 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -18.1 | 177.2 | -167.1 | 172.8 | -177.2 | 176.4 | 1.6 | 113.3 | P821 Y824 | R817-P821 WeakPolarHBondContact O-CA 3.26Å; R817-P821 WeakPolarHBondContact O-CG 3.27Å; R817-Y824 HydrophobicContact CB-CD2 4.12Å; R817-Y824 HydrophobicContact CB-CE2 4.14Å; R817-Y824 HydrophobicContact CG-CD2 4.09Å; R817-Y824 HydrophobicContact CG-CG 4.39Å |
| 818 | N | 79.1 | Confident | 85.1 | Confident | 153 Ų | 153 | 79.5 Ų | 79.5 | 82% | 0.818 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -30.7 | 174.2 | -62.6 | -0.8 | 0 | 0 | 0 | 112.2 | T816 | T816-N818 PolarHBondContact O-N 3.5Š|
| 819 | E | 82.8 | Confident | 85.1 | Confident | 121 Ų | 121 | 86.3 Ų | 86.3 | 57% | 0.565 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -40.8 | 175.7 | -73.6 | 142.8 | -132.9 | 0 | 0 | 112.1 | P815 T816 | P815-E819 WeakPolarHBondContact CA-OE2 3.49Å; P815-E819 HydrophobicContact CB-CB 4.35Å; T816-E819 VanDerWaalsContact CB-OE1 3.31Å; T816-E819 WeakPolarHBondContact CB-OE1 3.47Å; T816-E819 WeakPolarHBondContact CG2-OE1 3.37Å; T816-E819 PolarHBondContact N-OE2 3.15Å; T816-E819 PolarHBondContact O-N 3.28Å; T816-E819 WeakPolarHBondContact OG1-CG 3.36Å; T816-E819 PolarHBondContact OG1-N 3.01Å; T816-E819 PolarHBondContact OG1-OE1 3.45Å |
| 820 | L | 83.5 | Confident | 85.2 | Confident | 56 Ų | 56 | 83.7 Ų | 83.7 | 29% | 0.293 | 40% | 0.399 | S | S | . | . | trans | -144.9 | 76 | -177 | -167 | 60.5 | 0 | 0 | 0 | 112.5 | P815 T816 T822 Y823 F865 | P815-L820 HydrophobicContact CB-CB 4.01Å; P815-L820 HydrophobicContact CG-CD2 4.35Å; T816-L820 PolarHBondContact O-N 2.81Å; L820-T822 VanDerWaalsContact C-N 3.32Å; L820-T822 PolarHBondContact O-N 3.23Å; L820-Y823 PolarHBondContact O-N 2.93Å; L820-F865 HydrophobicContact CD1-CZ 4.43Å; L820-F865 HydrophobicContact CD2-CE1 3.86Å; L820-F865 HydrophobicContact CD2-CZ 4.01Å; L820-F865 HydrophobicContact CG-CZ 4.3Å | ||
| 821 | P | 81.2 | Confident | 85.3 | Confident | 59 Ų | 59 | 81.2 Ų | 81.2 | 38% | 0.383 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -41.8 | -177.4 | -22.9 | 30.3 | 0 | 0 | 0 | 113.7 | R817 Y823 Y824 | R817-P821 WeakPolarHBondContact O-CA 3.26Å; R817-P821 WeakPolarHBondContact O-CG 3.27Å; P821-Y823 VanDerWaalsContact C-N 3.28Å; P821-Y823 PolarHBondContact O-N 3.22Å; P821-Y824 PolarHBondContact O-N 2.79Å; P821-Y824 VanDerWaalsContact O-N 3.09Å |
| 822 | T | 83.1 | Confident | 85.2 | Confident | 35 Ų | 35 | 82 Ų | 82 | 22% | 0.215 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -31.3 | -175.5 | 51.1 | 0 | 0 | 0 | 0 | 113.2 | L820 Y824 E825 F826 | L820-T822 VanDerWaalsContact C-N 3.32Å; L820-T822 PolarHBondContact O-N 3.23Å; T822-Y824 PolarHBondContact O-N 3.19Å; T822-E825 WeakPolarHBondContact O-CB 3.16Å; T822-E825 PolarHBondContact O-N 2.84Å; T822-F826 WeakPolarHBondContact O-CD2 3.25Å; T822-F826 PolarHBondContact O-N 3.16Å |
| 823 | Y | 86.7 | Confident | 85.4 | Confident | 22 Ų | 22 | 80.1 Ų | 80.1 | 9% | 0.086 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.2 | -42.5 | 175.1 | -178.7 | -96.5 | 0 | 0 | 0 | 111.4 | L814 L820 P821 E825 I827 P830 F865 | L814-Y823 HydrophobicContact CD2-CE1 3.72Å; L820-Y823 PolarHBondContact O-N 2.93Å; P821-Y823 VanDerWaalsContact C-N 3.28Å; P821-Y823 PolarHBondContact O-N 3.22Å; Y823-E825 VanDerWaalsContact C-N 3.28Å; Y823-E825 PolarHBondContact O-N 2.9Å; Y823-I827 HydrophobicContact CD1-CB 4.46Å; Y823-I827 HydrophobicContact CD2-CG1 4.03Å; Y823-I827 HydrophobicContact CE1-CB 4.16Å; Y823-I827 HydrophobicContact CE1-CG1 4.43Å; Y823-I827 HydrophobicContact CE1-CG2 4.19Å; Y823-I827 HydrophobicContact CE2-CB 4.35Å; Y823-I827 HydrophobicContact CE2-CG1 3.73Å; Y823-I827 WeakPolarHBondContact O-CA 3.27Å; Y823-I827 VanDerWaalsContact O-CB 3.23Å; Y823-I827 WeakPolarHBondContact O-CB 3.29Å; Y823-I827 PolarHBondContact O-N 3.21Å; Y823-P830 HydrophobicContact CE1-CB 3.74Å; Y823-F865 VanDerWaalsContact CA-CE2 3.44Å; Y823-F865 HydrophobicContact CD2-CB 4.16Å; Y823-F865 AromaticContact CD2-CD1 3.7Å; Y823-F865 HydrophobicContact CD2-CD1 3.7Å; Y823-F865 AromaticContact CD2-CD2 3.88Å; Y823-F865 HydrophobicContact CD2-CD2 3.88Å; Y823-F865 HydrophobicContact CD2-CE1 4.04Å; Y823-F865 HydrophobicContact CD2-CE2 4.22Å; Y823-F865 AromaticContact CD2-CG 3.61Å; Y823-F865 HydrophobicContact CD2-CG 3.61Å; Y823-F865 HydrophobicContact CD2-CZ 4.28Å; Y823-F865 HydrophobicContact CE2-CB 4.2Å; Y823-F865 HydrophobicContact CE2-CD1 4.32Å; Y823-F865 HydrophobicContact CE2-CG 4.14Å |
| 824 | Y | 87.5 | Confident | 85.5 | Confident | 64 Ų | 64 | 74.5 Ų | 74.5 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -77 | -10.7 | 179.9 | -66.1 | -85.2 | 0 | 0 | 0 | 114.1 | P815 R817 P821 T822 P830 | P815-Y824 WeakPolarHBondContact O-CE2 3.4Å; P815-Y824 PolarHBondContact O-OH 2.87Å; R817-Y824 HydrophobicContact CB-CD2 4.12Å; R817-Y824 HydrophobicContact CB-CE2 4.14Å; R817-Y824 HydrophobicContact CG-CD2 4.09Å; R817-Y824 HydrophobicContact CG-CG 4.39Å; P821-Y824 PolarHBondContact O-N 2.79Å; P821-Y824 VanDerWaalsContact O-N 3.09Å; T822-Y824 PolarHBondContact O-N 3.19Å; Y824-P830 HydrophobicContact CD1-CB 4.38Å; Y824-P830 HydrophobicContact CD1-CG 3.99Å; Y824-P830 HydrophobicContact CE1-CB 4Å; Y824-P830 HydrophobicContact CE1-CG 3.76Å |
| 825 | E | 85 | Confident | 85.7 | Confident | 119 Ų | 119 | 75.7 Ų | 75.7 | 56% | 0.556 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -85.9 | -41.1 | 174.3 | -65.6 | 166.4 | -178.4 | 0 | 0 | 111.2 | T822 Y823 | T822-E825 WeakPolarHBondContact O-CB 3.16Å; T822-E825 PolarHBondContact O-N 2.84Å; Y823-E825 VanDerWaalsContact C-N 3.28Å; Y823-E825 PolarHBondContact O-N 2.9Å |
| 826 | F | 82.3 | Confident | 86 | Confident | 154 Ų | 154 | 73.4 Ų | 73.4 | 68% | 0.675 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -83.2 | -41.6 | 176.6 | -69.9 | -78.9 | 0 | 0 | 0 | 112.9 | T822 F865 | T822-F826 WeakPolarHBondContact O-CD2 3.25Å; T822-F826 PolarHBondContact O-N 3.16Å; F826-F865 HydrophobicContact CB-CD2 4.33Å; F826-F865 HydrophobicContact CD2-CE2 4.3Å |
| 827 | I | 88.4 | Confident | 86.4 | Confident | 7 Ų | 7 | 71.3 Ų | 71.3 | 4% | 0.036 | 34% | 0.338 | C | S | . | . | trans | -96.4 | 98.5 | -176.1 | -56.5 | -55.4 | 0 | 0 | 0 | 111 | Y823 K829 P830 N861 R864 F865 | Y823-I827 HydrophobicContact CD1-CB 4.46Å; Y823-I827 HydrophobicContact CD2-CG1 4.03Å; Y823-I827 HydrophobicContact CE1-CB 4.16Å; Y823-I827 HydrophobicContact CE1-CG1 4.43Å; Y823-I827 HydrophobicContact CE1-CG2 4.19Å; Y823-I827 HydrophobicContact CE2-CB 4.35Å; Y823-I827 HydrophobicContact CE2-CG1 3.73Å; Y823-I827 WeakPolarHBondContact O-CA 3.27Å; Y823-I827 VanDerWaalsContact O-CB 3.23Å; Y823-I827 WeakPolarHBondContact O-CB 3.29Å; Y823-I827 PolarHBondContact O-N 3.21Å; I827-K829 VanDerWaalsContact C-N 3.31Å; I827-K829 PolarHBondContact O-N 3.37Å; I827-P830 HydrophobicContact CG2-CB 4.31Å; I827-N861 HydrophobicContact CD1-CB 4.32Å; I827-N861 HydrophobicContact CG2-CB 3.96Å; I827-N861 VanDerWaalsContact CG2-CG 3.42Å; I827-N861 WeakPolarHBondContact CG2-OD1 3.43Å; I827-R864 HydrophobicContact CD1-CB 3.73Å; I827-F865 HydrophobicContact CD1-CB 4.25Å; I827-F865 HydrophobicContact CG1-CB 4.2Å | ||
| 828 | K | 85.4 | Confident | 86.7 | Confident | 193 Ų | 193 | 68.4 Ų | 68.4 | 84% | 0.839 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -72.2 | -15.3 | -178.2 | -62.3 | -166.9 | 175.5 | -164.9 | 0 | 115.9 | ||
| 829 | K | 89.7 | Confident | 87.2 | Confident | 144 Ų | 144 | 63.1 Ų | 63.1 | 63% | 0.626 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -137.3 | 69.8 | -179.5 | -70.9 | -162.3 | 172 | -162.5 | 0 | 109.8 | I827 L857 N861 | I827-K829 VanDerWaalsContact C-N 3.31Å; I827-K829 PolarHBondContact O-N 3.37Å; K829-L857 HydrophobicContact CB-CD2 4.2Å; K829-N861 PolarHBondContact O-ND2 2.83Å |
| 830 | P | 90.2 | Very high | 87.4 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 31% | 0.312 | 27% | 0.274 | S | S | . | . | trans | -67.2 | 145 | -178.3 | 33.1 | -38.3 | 0 | 0 | 0 | 110.3 | L814 Y823 Y824 I827 | L814-P830 HydrophobicContact CD1-CB 3.84Å; L814-P830 HydrophobicContact CD1-CG 4.46Å; L814-P830 HydrophobicContact CD2-CB 4.12Å; Y823-P830 HydrophobicContact CE1-CB 3.74Å; Y824-P830 HydrophobicContact CD1-CB 4.38Å; Y824-P830 HydrophobicContact CD1-CG 3.99Å; Y824-P830 HydrophobicContact CE1-CB 4Å; Y824-P830 HydrophobicContact CE1-CG 3.76Å; I827-P830 HydrophobicContact CG2-CB 4.31Å | ||
| 831 | I | 89.5 | Confident | 87.5 | Confident | 18 Ų | 18 | 56.6 Ų | 56.6 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | trans | -151.3 | 148.7 | -179 | -168.4 | 165.4 | 0 | 0 | 0 | 111 | V836 E854 L857 M858 | I831-V836 HydrophobicContact CD1-CG2 3.91Å; I831-V836 HydrophobicContact CG1-CG2 4.19Å; I831-E854 HydrophobicContact CD1-CB 3.62Å; I831-E854 HydrophobicContact CD1-CG 3.68Å; I831-L857 HydrophobicContact CG2-CB 4.4Å; I831-L857 HydrophobicContact CG2-CD2 4.29Å; I831-L857 HydrophobicContact CG2-CG 4.02Å; I831-M858 HydrophobicContact CG2-CB 3.81Å; I831-M858 HydrophobicContact CG2-CG 4.34Å | ||
| 832 | E | 89.6 | Confident | 87.7 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 15% | 0.15 | 28% | 0.275 | C | S | . | . | trans | -130.6 | 149.1 | -179.3 | 35.8 | 160.8 | -117.9 | 0 | 0 | 110.9 | R813 L814 Q834 T835 V836 | R813-E832 WeakPolarHBondContact CA-OE2 3.26Å; L814-E832 HydrophobicContact CD1-CG 4.08Å; L814-E832 HydrophobicContact CG-CB 3.98Å; L814-E832 HydrophobicContact CG-CG 3.96Å; L814-E832 PolarHBondContact N-OE2 3.48Å; E832-Q834 PolarHBondContact O-N 3.17Å; E832-T835 PolarHBondContact O-N 3.02Å; E832-T835 VanDerWaalsContact O-N 3.09Å; E832-T835 PolarHBondContact OE1-N 2.96Å; E832-T835 PolarHBondContact OE1-OG1 3.38Å; E832-V836 PolarHBondContact O-N 3.18Å | ||
| 833 | L | 90.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.5 | -27.4 | -177 | -165.6 | 62 | 0 | 0 | 0 | 112.7 | F794 R798 F811 M812 V836 A837 L855 M858 | F794-L833 HydrophobicContact CD2-CD1 4.11Å; F794-L833 HydrophobicContact CE2-CD1 3.51Å; F794-L833 HydrophobicContact CE2-CG 3.75Å; F794-L833 HydrophobicContact CZ-CD1 4.24Å; F794-L833 HydrophobicContact CZ-CG 4Å; R798-L833 HydrophobicContact CB-CD2 4.36Å; R798-L833 HydrophobicContact CG-CD2 4.36Å; F811-L833 WeakPolarHBondContact O-CB 3.41Å; F811-L833 PolarHBondContact O-N 3.5Å; M812-L833 HydrophobicContact SD-CB 4.27Å; M812-L833 HydrophobicContact SD-CD2 3.99Å; M812-L833 HydrophobicContact SD-CG 4.38Å; L833-V836 PolarHBondContact O-N 3.34Å; L833-A837 WeakPolarHBondContact O-CB 3.49Å; L833-A837 PolarHBondContact O-N 2.96Å; L833-L855 HydrophobicContact CD1-CD2 3.49Å; L833-L855 VanDerWaalsContact CD1-CD2 3.49Å; L833-M858 HydrophobicContact CB-SD 3.82Å; L833-M858 HydrophobicContact CD1-CE 4.26Å; L833-M858 HydrophobicContact CD1-SD 4.1Å; L833-M858 HydrophobicContact CG-SD 4.49Å |
| 834 | Q | 88.8 | Confident | 87.6 | Confident | 44 Ų | 44 | 67.3 Ų | 67.3 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.2 | -38.4 | 172.8 | 174.3 | 162.1 | -4.5 | 0 | 0 | 112.9 | M812 E832 A837 K838 A1521 A1522 | M812-Q834 HydrophobicContact CE-CB 4.41Å; M812-Q834 WeakPolarHBondContact O-CB 3.38Å; M812-Q834 PolarHBondContact O-N 2.81Å; E832-Q834 PolarHBondContact O-N 3.17Å; Q834-A837 WeakPolarHBondContact O-CB 3.39Å; Q834-A837 PolarHBondContact O-N 3.42Å; Q834-K838 WeakPolarHBondContact O-CB 3.16Å; Q834-K838 PolarHBondContact O-N 2.98Å; Q834-A1521 VanDerWaalsContact CD-O 3.29Å; Q834-A1521 VanDerWaalsContact CG-O 3.27Å; Q834-A1521 WeakPolarHBondContact CG-O 3.22Å; Q834-A1522 PolarHBondContact NE2-O 3.39Å; Q834-A1522 VanDerWaalsContact NE2-O 3.13Å |
| 835 | T | 89.2 | Confident | 87.5 | Confident | 56 Ų | 56 | 65 Ų | 65 | 34% | 0.344 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 173.4 | -74.3 | 0 | 0 | 0 | 0 | 110.6 | E832 A837 K838 Q839 | E832-T835 PolarHBondContact O-N 3.02Å; E832-T835 VanDerWaalsContact O-N 3.09Å; E832-T835 PolarHBondContact OE1-N 2.96Å; E832-T835 PolarHBondContact OE1-OG1 3.38Å; T835-A837 PolarHBondContact O-N 3.26Å; T835-K838 PolarHBondContact O-N 2.9Å; T835-Q839 WeakPolarHBondContact O-CG 3.27Å; T835-Q839 PolarHBondContact O-N 2.99Å |
| 836 | V | 90.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 172.5 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | F794 I831 E832 L833 K838 Q839 L840 Y845 F851 E854 L855 | F794-V836 HydrophobicContact CD2-CG1 4.11Å; F794-V836 HydrophobicContact CE2-CB 4.49Å; F794-V836 HydrophobicContact CE2-CG1 4.18Å; I831-V836 HydrophobicContact CD1-CG2 3.91Å; I831-V836 HydrophobicContact CG1-CG2 4.19Å; E832-V836 PolarHBondContact O-N 3.18Å; L833-V836 PolarHBondContact O-N 3.34Å; V836-K838 VanDerWaalsContact C-N 3.33Å; V836-K838 PolarHBondContact O-N 2.9Å; V836-Q839 PolarHBondContact O-N 3.12Å; V836-L840 WeakPolarHBondContact O-CB 3.48Å; V836-L840 PolarHBondContact O-N 3.42Å; V836-Y845 WeakPolarHBondContact CA-OH 3.42Å; V836-F851 HydrophobicContact CG1-CD2 4.14Å; V836-F851 HydrophobicContact CG1-CE2 3.7Å; V836-E854 HydrophobicContact CG2-CB 4.11Å; V836-L855 HydrophobicContact CG1-CD2 4.04Å |
| 837 | A | 89.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.2 | -45.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F794 L833 Q834 T835 L840 V841 V1518 A1521 A1522 | F794-A837 HydrophobicContact CE1-CB 4.28Å; F794-A837 HydrophobicContact CE2-CB 3.93Å; F794-A837 HydrophobicContact CZ-CB 3.54Å; L833-A837 WeakPolarHBondContact O-CB 3.49Å; L833-A837 PolarHBondContact O-N 2.96Å; Q834-A837 WeakPolarHBondContact O-CB 3.39Å; Q834-A837 PolarHBondContact O-N 3.42Å; T835-A837 PolarHBondContact O-N 3.26Å; A837-L840 PolarHBondContact O-N 2.69Å; A837-V841 WeakPolarHBondContact O-CG2 3.39Å; A837-V841 PolarHBondContact O-N 2.88Å; A837-V1518 HydrophobicContact CB-CG1 3.72Å; A837-V1518 WeakPolarHBondContact O-CG1 3.1Å; A837-A1521 HydrophobicContact CB-CB 3.8Å; A837-A1522 HydrophobicContact CB-CB 4.35Å |
| 838 | K | 87.8 | Confident | 87.2 | Confident | 112 Ų | 112 | 61.1 Ų | 61.1 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 179 | -174.3 | 173.7 | 179.9 | 175.7 | 0 | 111.9 | Q834 T835 V836 Q842 A1522 | Q834-K838 WeakPolarHBondContact O-CB 3.16Å; Q834-K838 PolarHBondContact O-N 2.98Å; T835-K838 PolarHBondContact O-N 2.9Å; V836-K838 VanDerWaalsContact C-N 3.33Å; V836-K838 PolarHBondContact O-N 2.9Å; K838-Q842 VanDerWaalsContact O-CB 3.31Å; K838-Q842 WeakPolarHBondContact O-CB 3.29Å; K838-Q842 WeakPolarHBondContact O-CG 3.28Å; K838-Q842 PolarHBondContact O-N 2.71Å; K838-A1522 HydrophobicContact CB-CB 4.12Å |
| 839 | Q | 90.2 | Very high | 87.2 | Confident | 42 Ų | 42 | 55.5 Ų | 55.5 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 174.8 | -67.6 | -152.7 | 86 | 0 | 0 | 112.5 | T835 V836 Q842 M843 K844 Y845 E854 | T835-Q839 WeakPolarHBondContact O-CG 3.27Å; T835-Q839 PolarHBondContact O-N 2.99Å; V836-Q839 PolarHBondContact O-N 3.12Å; Q839-Q842 CarbonylContact O-C 2.96Å; Q839-Q842 PolarHBondContact O-N 2.99Å; Q839-M843 PolarHBondContact O-N 3.36Å; Q839-K844 HydrophobicContact CB-CB 4.3Å; Q839-K844 HydrophobicContact CB-CD 4.33Å; Q839-K844 HydrophobicContact CG-CD 4.11Å; Q839-K844 PolarHBondContact O-N 3.28Å; Q839-Y845 HydrophobicContact CB-CE1 4.34Å; Q839-Y845 HydrophobicContact CB-CE2 3.62Å; Q839-Y845 WeakPolarHBondContact CB-OH 3.08Å; Q839-E854 PolarHBondContact NE2-OE1 3.17Å; Q839-E854 PolarHBondContact NE2-OE2 2.99Å |
| 840 | L | 87.8 | Confident | 87.1 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.4 | -38.1 | 179.2 | -177.1 | 54.5 | 0 | 0 | 0 | 113 | Q787 M790 L791 F794 V836 A837 M843 Y845 F851 V1518 | Q787-L840 PolarHBondContact NE2-O 2.85Å; M790-L840 HydrophobicContact CB-CD1 3.57Å; M790-L840 HydrophobicContact CB-CD2 4.42Å; M790-L840 HydrophobicContact CG-CD1 4.35Å; M790-L840 HydrophobicContact SD-CD1 3.93Å; L791-L840 HydrophobicContact CD2-CD2 3.8Å; L791-L840 HydrophobicContact CD2-CG 4Å; L791-L840 HydrophobicContact CG-CD2 4.29Å; L791-L840 HydrophobicContact CG-CG 4.48Å; F794-L840 HydrophobicContact CB-CD2 3.83Å; F794-L840 HydrophobicContact CD2-CD2 4.43Å; F794-L840 HydrophobicContact CG-CD2 4.13Å; V836-L840 WeakPolarHBondContact O-CB 3.48Å; V836-L840 PolarHBondContact O-N 3.42Å; A837-L840 PolarHBondContact O-N 2.69Å; L840-M843 PolarHBondContact O-N 2.9Å; L840-Y845 HydrophobicContact CB-CD2 4.27Å; L840-Y845 HydrophobicContact CB-CE2 3.96Å; L840-Y845 HydrophobicContact CD1-CD2 4.2Å; L840-F851 HydrophobicContact CD2-CE2 3.96Å; L840-F851 HydrophobicContact CD2-CZ 4.31Å; L840-V1518 HydrophobicContact CD2-CG1 4.35Å |
| 841 | V | 84.6 | Confident | 87.2 | Confident | 37 Ų | 37 | 51 Ų | 51 | 22% | 0.224 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69 | -37.5 | 171.4 | 173.7 | 0 | 0 | 0 | 0 | 111 | A837 M843 V1518 L1519 | A837-V841 WeakPolarHBondContact O-CG2 3.39Å; A837-V841 PolarHBondContact O-N 2.88Å; V841-M843 PolarHBondContact O-N 3.05Å; V841-V1518 HydrophobicContact CG2-CB 4.19Å; V841-V1518 HydrophobicContact CG2-CG1 3.79Å; V841-L1519 HydrophobicContact CG1-CD2 3.9Å; V841-L1519 HydrophobicContact CG1-CG 4.48Å; V841-L1519 HydrophobicContact CG2-CG 4.42Å |
| 842 | Q | 85.2 | Confident | 87.2 | Confident | 100 Ų | 100 | 50.1 Ų | 50.1 | 47% | 0.467 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 4.4 | 174.8 | -71.6 | -179 | -12.1 | 0 | 0 | 114.4 | K838 Q839 K844 | K838-Q842 VanDerWaalsContact O-CB 3.31Å; K838-Q842 WeakPolarHBondContact O-CB 3.29Å; K838-Q842 WeakPolarHBondContact O-CG 3.28Å; K838-Q842 PolarHBondContact O-N 2.71Å; Q839-Q842 CarbonylContact O-C 2.96Å; Q839-Q842 PolarHBondContact O-N 2.99Å; Q842-K844 HydrophobicContact CB-CD 4.31Å; Q842-K844 HydrophobicContact CB-CG 4.14Å; Q842-K844 PolarHBondContact O-N 2.89Å; Q842-K844 VanDerWaalsContact O-N 3.16Å; Q842-K844 VanDerWaalsContact OE1-CE 3.27Å |
| 843 | M | 82.5 | Confident | 87.2 | Confident | 131 Ų | 131 | 50.1 Ų | 50.1 | 65% | 0.645 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 32.3 | -177.9 | -54.8 | -164.1 | -165.7 | 0 | 0 | 114.6 | Q839 L840 V841 | Q839-M843 PolarHBondContact O-N 3.36Å; L840-M843 PolarHBondContact O-N 2.9Å; V841-M843 PolarHBondContact O-N 3.05Å |
| 844 | K | 85 | Confident | 87.3 | Confident | 110 Ų | 110 | 52.3 Ų | 52.3 | 48% | 0.478 | 27% | 0.268 | S | S | . | . | trans | -72.5 | -33 | -175.6 | -80.5 | 177.4 | 167.7 | 165.3 | 0 | 114.2 | Q839 Q842 T846 | Q839-K844 HydrophobicContact CB-CB 4.3Å; Q839-K844 HydrophobicContact CB-CD 4.33Å; Q839-K844 HydrophobicContact CG-CD 4.11Å; Q839-K844 PolarHBondContact O-N 3.28Å; Q842-K844 HydrophobicContact CB-CD 4.31Å; Q842-K844 HydrophobicContact CB-CG 4.14Å; Q842-K844 PolarHBondContact O-N 2.89Å; Q842-K844 VanDerWaalsContact O-N 3.16Å; Q842-K844 VanDerWaalsContact OE1-CE 3.27Å; K844-T846 PolarHBondContact O-N 3.33Å | ||
| 845 | Y | 87.1 | Confident | 87.5 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 6% | 0.059 | 26% | 0.258 | C | S | . | . | trans | -72.2 | 118.4 | 179.6 | -53.3 | -66.5 | 0 | 0 | 0 | 110.4 | V836 Q839 L840 E850 F851 E854 | V836-Y845 WeakPolarHBondContact CA-OH 3.42Å; Q839-Y845 HydrophobicContact CB-CE1 4.34Å; Q839-Y845 HydrophobicContact CB-CE2 3.62Å; Q839-Y845 WeakPolarHBondContact CB-OH 3.08Å; L840-Y845 HydrophobicContact CB-CD2 4.27Å; L840-Y845 HydrophobicContact CB-CE2 3.96Å; L840-Y845 HydrophobicContact CD1-CD2 4.2Å; Y845-E850 WeakPolarHBondContact CA-OE2 3.31Å; Y845-E850 HydrophobicContact CD1-CG 4.13Å; Y845-F851 HydrophobicContact CD1-CB 3.96Å; Y845-F851 HydrophobicContact CD2-CB 3.92Å; Y845-F851 AromaticContact CD2-CD2 3.83Å; Y845-F851 HydrophobicContact CD2-CD2 3.83Å; Y845-F851 HydrophobicContact CD2-CG 4.27Å; Y845-F851 HydrophobicContact CE1-CB 4.42Å; Y845-F851 HydrophobicContact CE2-CB 4.38Å; Y845-F851 AromaticContact CE2-CD2 3.63Å; Y845-F851 HydrophobicContact CE2-CD2 3.63Å; Y845-F851 HydrophobicContact CE2-CE2 4.49Å; Y845-F851 HydrophobicContact CE2-CG 4.46Å; Y845-F851 HydrophobicContact CG-CB 3.68Å; Y845-F851 HydrophobicContact CG-CD2 4.43Å; Y845-E854 HydrophobicContact CE1-CG 4.35Å; Y845-E854 WeakPolarHBondContact CE1-OE2 3.5Å; Y845-E854 PolarHBondContact OH-OE2 2.98Å | ||
| 846 | T | 80.1 | Confident | 87.7 | Confident | 114 Ų | 114 | 48.7 Ų | 48.7 | 70% | 0.699 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -90.7 | -19.3 | 179.7 | 60.8 | 0 | 0 | 0 | 0 | 112.6 | K844 E850 | K844-T846 PolarHBondContact O-N 3.33Å; T846-E850 PolarHBondContact N-OE2 3.01Å; T846-E850 PolarHBondContact OG1-OE2 2.9Å |
| 847 | D | 81 | Confident | 87.8 | Confident | 81 Ų | 81 | 51.3 Ų | 51.3 | 43% | 0.433 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -133.7 | 152.5 | 178.2 | -178.2 | 70.5 | 0 | 0 | 0 | 111.5 | M790 E849 E850 F851 | M790-D847 VanDerWaalsContact CE-C 3.48Å; M790-D847 WeakPolarHBondContact CE-O 3.26Å; D847-E849 WeakPolarHBondContact OD2-CA 3.45Å; D847-E849 VanDerWaalsContact OD2-CB 3.26Å; D847-E849 WeakPolarHBondContact OD2-CB 3.26Å; D847-E849 PolarHBondContact OD2-N 3.06Å; D847-E850 HydrophobicContact CB-CB 4.39Å; D847-E850 WeakPolarHBondContact O-CB 3.43Å; D847-E850 PolarHBondContact O-N 2.87Å; D847-F851 PolarHBondContact O-N 2.73Å |
| 848 | F | 87.1 | Confident | 88 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.6 | -36 | -179.4 | 176.4 | -87 | 0 | 0 | 0 | 113.2 | L786 V789 M790 L793 E850 F851 A852 R887 L891 | L786-F848 HydrophobicContact CD1-CB 3.94Å; V789-F848 HydrophobicContact CG1-CD2 3.77Å; V789-F848 HydrophobicContact CG1-CE2 3.59Å; M790-F848 HydrophobicContact CG-CD2 4.24Å; L793-F848 HydrophobicContact CD2-CE1 4.44Å; L793-F848 HydrophobicContact CD2-CE2 4.04Å; L793-F848 HydrophobicContact CD2-CZ 3.58Å; F848-E850 VanDerWaalsContact C-N 3.33Å; F848-F851 PolarHBondContact O-N 3.4Å; F848-A852 HydrophobicContact CE1-CB 4.35Å; F848-A852 WeakPolarHBondContact O-CB 3.05Å; F848-A852 PolarHBondContact O-N 3.32Å; F848-R887 HydrophobicContact CE1-CG 3.82Å; F848-R887 HydrophobicContact CZ-CB 4.38Å; F848-R887 HydrophobicContact CZ-CG 4.09Å; F848-L891 HydrophobicContact CD1-CD1 4.1Å; F848-L891 HydrophobicContact CD1-CD2 3.75Å; F848-L891 HydrophobicContact CD1-CG 4.2Å; F848-L891 HydrophobicContact CE1-CD1 3.68Å; F848-L891 HydrophobicContact CE1-CD2 3.83Å; F848-L891 HydrophobicContact CE1-CG 3.78Å; F848-L891 HydrophobicContact CG-CD2 4.1Å; F848-L891 HydrophobicContact CZ-CD1 4.41Å; F848-L891 HydrophobicContact CZ-CD2 4.21Å; F848-L891 HydrophobicContact CZ-CG 4.08Å |
| 849 | E | 85 | Confident | 88.2 | Confident | 75 Ų | 75 | 46.2 Ų | 46.2 | 35% | 0.35 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -76.4 | -24.2 | -177.8 | -163.5 | 76.9 | 168.6 | 0 | 0 | 111.5 | D847 G853 R887 | D847-E849 WeakPolarHBondContact OD2-CA 3.45Å; D847-E849 VanDerWaalsContact OD2-CB 3.26Å; D847-E849 WeakPolarHBondContact OD2-CB 3.26Å; D847-E849 PolarHBondContact OD2-N 3.06Å; E849-G853 WeakPolarHBondContact O-CA 3.33Å; E849-G853 PolarHBondContact O-N 3.47Å; E849-R887 IonicContact OE1-CZ 2.8Å; E849-R887 IonicContact OE1-NH2 3.25Å; E849-R887 PolarHBondContact OE1-NH2 3.48Å; E849-R887 IonicContact OE2-CZ 3.45Å; E849-R887 IonicContact OE2-NE 3.61Å; E849-R887 PolarHBondContact OE2-NE 3.27Å; E849-R887 VanDerWaalsContact OE2-NE 3.15Å; E849-R887 IonicContact OE2-NH2 2.73Å; E849-R887 PolarHBondContact OE2-NH2 3.05Å |
| 850 | E | 87.5 | Confident | 88.2 | Confident | 97 Ų | 97 | 45.5 Ų | 45.5 | 45% | 0.453 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.8 | -51.4 | 170 | -172.8 | 177.6 | -139.9 | 0 | 0 | 110.8 | Y845 T846 D847 F848 G853 E854 | Y845-E850 WeakPolarHBondContact CA-OE2 3.31Å; Y845-E850 HydrophobicContact CD1-CG 4.13Å; T846-E850 PolarHBondContact N-OE2 3.01Å; T846-E850 PolarHBondContact OG1-OE2 2.9Å; D847-E850 HydrophobicContact CB-CB 4.39Å; D847-E850 WeakPolarHBondContact O-CB 3.43Å; D847-E850 PolarHBondContact O-N 2.87Å; F848-E850 VanDerWaalsContact C-N 3.33Å; E850-G853 PolarHBondContact O-N 3.37Å; E850-E854 PolarHBondContact O-N 3.14Å |
| 851 | F | 93.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.9 | -48.5 | 173.9 | 163.2 | -107.5 | 0 | 0 | 0 | 112.5 | M790 L793 F794 V836 L840 Y845 D847 F848 G853 E854 L855 | M790-F851 HydrophobicContact CB-CD1 3.92Å; M790-F851 HydrophobicContact CB-CE1 4.06Å; M790-F851 HydrophobicContact CB-CG 4.29Å; M790-F851 HydrophobicContact CE-CB 4.07Å; M790-F851 HydrophobicContact CG-CB 4.3Å; M790-F851 HydrophobicContact CG-CD1 3.8Å; M790-F851 HydrophobicContact CG-CE1 4.42Å; M790-F851 HydrophobicContact CG-CG 4.08Å; M790-F851 WeakPolarHBondContact O-CE1 3.37Å; M790-F851 WeakPolarHBondContact O-CZ 3.46Å; M790-F851 HydrophobicContact SD-CB 4.45Å; L793-F851 HydrophobicContact CB-CE1 4.07Å; L793-F851 HydrophobicContact CD2-CE1 3.96Å; L793-F851 HydrophobicContact CG-CE1 4.09Å; F794-F851 HydrophobicContact CB-CE2 4.36Å; F794-F851 HydrophobicContact CB-CZ 3.82Å; F794-F851 HydrophobicContact CD2-CE2 4.34Å; F794-F851 HydrophobicContact CD2-CZ 4.47Å; V836-F851 HydrophobicContact CG1-CD2 4.14Å; V836-F851 HydrophobicContact CG1-CE2 3.7Å; L840-F851 HydrophobicContact CD2-CE2 3.96Å; L840-F851 HydrophobicContact CD2-CZ 4.31Å; Y845-F851 HydrophobicContact CD1-CB 3.96Å; Y845-F851 HydrophobicContact CD2-CB 3.92Å; Y845-F851 AromaticContact CD2-CD2 3.83Å; Y845-F851 HydrophobicContact CD2-CD2 3.83Å; Y845-F851 HydrophobicContact CD2-CG 4.27Å; Y845-F851 HydrophobicContact CE1-CB 4.42Å; Y845-F851 HydrophobicContact CE2-CB 4.38Å; Y845-F851 AromaticContact CE2-CD2 3.63Å; Y845-F851 HydrophobicContact CE2-CD2 3.63Å; Y845-F851 HydrophobicContact CE2-CE2 4.49Å; Y845-F851 HydrophobicContact CE2-CG 4.46Å; Y845-F851 HydrophobicContact CG-CB 3.68Å; Y845-F851 HydrophobicContact CG-CD2 4.43Å; D847-F851 PolarHBondContact O-N 2.73Å; F848-F851 PolarHBondContact O-N 3.4Å; F851-G853 VanDerWaalsContact C-N 3.26Å; F851-G853 PolarHBondContact O-N 3.21Å; F851-E854 PolarHBondContact O-N 3.36Å; F851-L855 HydrophobicContact CE1-CD1 3.99Å; F851-L855 HydrophobicContact CE2-CD1 4.24Å; F851-L855 HydrophobicContact CE2-CG 4.43Å; F851-L855 HydrophobicContact CZ-CD1 3.64Å; F851-L855 HydrophobicContact CZ-CG 4.31Å; F851-L855 PolarHBondContact O-N 3.47Å |
| 852 | A | 89.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -34.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F848 E854 L855 F856 | F848-A852 HydrophobicContact CE1-CB 4.35Å; F848-A852 WeakPolarHBondContact O-CB 3.05Å; F848-A852 PolarHBondContact O-N 3.32Å; A852-E854 VanDerWaalsContact C-N 3.33Å; A852-E854 PolarHBondContact O-N 3.27Å; A852-L855 WeakPolarHBondContact O-CB 3.39Å; A852-L855 PolarHBondContact O-N 2.83Å; A852-F856 HydrophobicContact CB-CD2 4.36Å; A852-F856 HydrophobicContact CB-CE2 3.72Å; A852-F856 HydrophobicContact CB-CZ 4.18Å; A852-F856 WeakPolarHBondContact O-CD2 3.45Å; A852-F856 VanDerWaalsContact O-CG 3.23Å; A852-F856 WeakPolarHBondContact O-CG 3.49Å; A852-F856 PolarHBondContact O-N 2.87Å |
| 853 | G | 89.5 | Confident | 88.9 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 33% | 0.33 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.2 | -35.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | E849 E850 F851 F856 L857 | E849-G853 WeakPolarHBondContact O-CA 3.33Å; E849-G853 PolarHBondContact O-N 3.47Å; E850-G853 PolarHBondContact O-N 3.37Å; F851-G853 VanDerWaalsContact C-N 3.26Å; F851-G853 PolarHBondContact O-N 3.21Å; G853-F856 PolarHBondContact O-N 3.48Å; G853-L857 WeakPolarHBondContact O-CB 3.48Å; G853-L857 PolarHBondContact O-N 2.71Å |
| 854 | E | 92.6 | Very high | 89.1 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 22% | 0.22 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.1 | -38.2 | 173.8 | -79 | -160.4 | 165.2 | 0 | 0 | 112.8 | I831 V836 Q839 Y845 E850 F851 A852 F856 L857 M858 | I831-E854 HydrophobicContact CD1-CB 3.62Å; I831-E854 HydrophobicContact CD1-CG 3.68Å; V836-E854 HydrophobicContact CG2-CB 4.11Å; Q839-E854 PolarHBondContact NE2-OE1 3.17Å; Q839-E854 PolarHBondContact NE2-OE2 2.99Å; Y845-E854 HydrophobicContact CE1-CG 4.35Å; Y845-E854 WeakPolarHBondContact CE1-OE2 3.5Å; Y845-E854 PolarHBondContact OH-OE2 2.98Å; E850-E854 PolarHBondContact O-N 3.14Å; F851-E854 PolarHBondContact O-N 3.36Å; A852-E854 VanDerWaalsContact C-N 3.33Å; A852-E854 PolarHBondContact O-N 3.27Å; E854-F856 VanDerWaalsContact C-N 3.35Å; E854-L857 PolarHBondContact O-N 3.37Å; E854-M858 PolarHBondContact O-N 3.34Å |
| 855 | L | 93.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 170.8 | -66.2 | 178.2 | 0 | 0 | 0 | 111.4 | L793 V797 L833 V836 F851 A852 M858 F859 | L793-L855 HydrophobicContact CG-CD1 4.36Å; V797-L855 HydrophobicContact CG2-CD1 4.49Å; L833-L855 HydrophobicContact CD1-CD2 3.49Å; L833-L855 VanDerWaalsContact CD1-CD2 3.49Å; V836-L855 HydrophobicContact CG1-CD2 4.04Å; F851-L855 HydrophobicContact CE1-CD1 3.99Å; F851-L855 HydrophobicContact CE2-CD1 4.24Å; F851-L855 HydrophobicContact CE2-CG 4.43Å; F851-L855 HydrophobicContact CZ-CD1 3.64Å; F851-L855 HydrophobicContact CZ-CG 4.31Å; F851-L855 PolarHBondContact O-N 3.47Å; A852-L855 WeakPolarHBondContact O-CB 3.39Å; A852-L855 PolarHBondContact O-N 2.83Å; L855-M858 WeakPolarHBondContact O-CB 3.42Å; L855-M858 PolarHBondContact O-N 3.32Å; L855-F859 HydrophobicContact CB-CE2 4.48Å; L855-F859 WeakPolarHBondContact O-CD2 3.4Å; L855-F859 WeakPolarHBondContact O-CG 3.31Å; L855-F859 PolarHBondContact O-N 3.31Å |
| 856 | F | 93.5 | Very high | 89.5 | Confident | 24 Ų | 24 | 39 Ų | 39 | 11% | 0.105 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 176.4 | -58.8 | -41.1 | 0 | 0 | 0 | 112.3 | A852 G853 E854 M858 F859 D860 H880 C883 L884 L1395 | A852-F856 HydrophobicContact CB-CD2 4.36Å; A852-F856 HydrophobicContact CB-CE2 3.72Å; A852-F856 HydrophobicContact CB-CZ 4.18Å; A852-F856 WeakPolarHBondContact O-CD2 3.45Å; A852-F856 VanDerWaalsContact O-CG 3.23Å; A852-F856 WeakPolarHBondContact O-CG 3.49Å; A852-F856 PolarHBondContact O-N 2.87Å; G853-F856 PolarHBondContact O-N 3.48Å; E854-F856 VanDerWaalsContact C-N 3.35Å; F856-M858 VanDerWaalsContact C-N 3.32Å; F856-M858 PolarHBondContact O-N 3.36Å; F856-F859 HydrophobicContact CD1-CD2 4.3Å; F856-F859 PolarHBondContact O-N 2.88Å; F856-D860 WeakPolarHBondContact O-CB 3.15Å; F856-D860 PolarHBondContact O-N 3.44Å; F856-H880 AromaticContact CD1-CD2 3.56Å; F856-H880 AromaticContact CD1-NE2 3.46Å; F856-H880 WeakPolarHBondContact CD1-NE2 3.47Å; F856-H880 AromaticContact CE1-CD2 3.8Å; F856-H880 AromaticContact CE1-NE2 3.73Å; F856-C883 HydrophobicContact CE1-CB 4.39Å; F856-L884 HydrophobicContact CE1-CD2 3.73Å; F856-L884 HydrophobicContact CE1-CG 4.18Å; F856-L884 HydrophobicContact CZ-CD2 3.63Å; F856-L1395 HydrophobicContact CD1-CD1 4.28Å; F856-L1395 HydrophobicContact CD2-CD1 3.6Å; F856-L1395 HydrophobicContact CE1-CD1 4.3Å; F856-L1395 HydrophobicContact CE2-CD1 3.63Å; F856-L1395 HydrophobicContact CG-CD1 3.97Å; F856-L1395 HydrophobicContact CZ-CD1 4Å |
| 857 | L | 92 | Very high | 89.8 | Confident | 55 Ų | 55 | 40.1 Ų | 40.1 | 29% | 0.288 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.5 | -38.4 | 174.3 | 178.3 | 61.9 | 0 | 0 | 0 | 112.2 | K829 I831 G853 E854 F859 D860 N861 | K829-L857 HydrophobicContact CB-CD2 4.2Å; I831-L857 HydrophobicContact CG2-CB 4.4Å; I831-L857 HydrophobicContact CG2-CD2 4.29Å; I831-L857 HydrophobicContact CG2-CG 4.02Å; G853-L857 WeakPolarHBondContact O-CB 3.48Å; G853-L857 PolarHBondContact O-N 2.71Å; E854-L857 PolarHBondContact O-N 3.37Å; L857-F859 PolarHBondContact O-N 2.94Å; L857-D860 PolarHBondContact O-N 2.91Å; L857-N861 VanDerWaalsContact O-CB 3.32Å; L857-N861 WeakPolarHBondContact O-CB 3.31Å; L857-N861 PolarHBondContact O-N 3.09Å; L857-N861 PolarHBondContact O-ND2 3.09Å |
| 858 | M | 92.7 | Very high | 89.9 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.7 | -46.7 | 175 | -168.9 | -175.5 | 75.3 | 0 | 0 | 111.5 | F811 I831 L833 E854 L855 F856 A862 | F811-M858 HydrophobicContact CB-CE 3.91Å; F811-M858 HydrophobicContact CB-CG 4.34Å; F811-M858 HydrophobicContact CB-SD 3.71Å; F811-M858 HydrophobicContact CD1-CE 4.37Å; F811-M858 HydrophobicContact CD1-CG 4.33Å; F811-M858 HydrophobicContact CG-CE 4.18Å; F811-M858 HydrophobicContact CG-SD 4.46Å; I831-M858 HydrophobicContact CG2-CB 3.81Å; I831-M858 HydrophobicContact CG2-CG 4.34Å; L833-M858 HydrophobicContact CB-SD 3.82Å; L833-M858 HydrophobicContact CD1-CE 4.26Å; L833-M858 HydrophobicContact CD1-SD 4.1Å; L833-M858 HydrophobicContact CG-SD 4.49Å; E854-M858 PolarHBondContact O-N 3.34Å; L855-M858 WeakPolarHBondContact O-CB 3.42Å; L855-M858 PolarHBondContact O-N 3.32Å; F856-M858 VanDerWaalsContact C-N 3.32Å; F856-M858 PolarHBondContact O-N 3.36Å; M858-A862 PolarHBondContact O-N 2.89Å |
| 859 | F | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.5 | -44.8 | 176.2 | -56.5 | -41.9 | 0 | 0 | 0 | 112.2 | V797 L855 F856 L857 N861 A862 C863 T876 L879 H880 C883 T1393 | V797-F859 HydrophobicContact CG1-CE1 4.5Å; V797-F859 HydrophobicContact CG1-CZ 3.92Å; L855-F859 HydrophobicContact CB-CE2 4.48Å; L855-F859 WeakPolarHBondContact O-CD2 3.4Å; L855-F859 WeakPolarHBondContact O-CG 3.31Å; L855-F859 PolarHBondContact O-N 3.31Å; F856-F859 HydrophobicContact CD1-CD2 4.3Å; F856-F859 PolarHBondContact O-N 2.88Å; L857-F859 PolarHBondContact O-N 2.94Å; F859-N861 VanDerWaalsContact C-N 3.3Å; F859-N861 PolarHBondContact O-N 3.03Å; F859-A862 PolarHBondContact O-N 2.99Å; F859-A862 VanDerWaalsContact O-N 3.14Å; F859-C863 PolarHBondContact O-N 2.71Å; F859-T876 HydrophobicContact CB-CG2 3.56Å; F859-T876 HydrophobicContact CD1-CG2 3.95Å; F859-T876 HydrophobicContact CG-CG2 4.12Å; F859-T876 WeakPolarHBondContact O-CG2 3.34Å; F859-L879 HydrophobicContact CD1-CB 4.46Å; F859-L879 HydrophobicContact CE1-CB 3.55Å; F859-L879 HydrophobicContact CE1-CD1 4.24Å; F859-L879 HydrophobicContact CZ-CB 3.81Å; F859-H880 HydrophobicContact CD2-CB 3.82Å; F859-H880 AromaticContact CD2-CD2 3.59Å; F859-H880 AromaticContact CD2-CG 3.97Å; F859-H880 HydrophobicContact CE2-CB 4.19Å; F859-H880 HydrophobicContact CG-CB 4.16Å; F859-C883 HydrophobicContact CE2-CB 3.96Å; F859-C883 HydrophobicContact CZ-CB 4.43Å; F859-T1393 HydrophobicContact CB-CG2 3.97Å |
| 860 | D | 90.5 | Very high | 90 | Very high | 27 Ų | 27 | 45.4 Ų | 45.4 | 14% | 0.144 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.1 | -38.8 | -179.7 | -139.7 | 58.9 | 0 | 0 | 0 | 111.2 | F856 L857 R864 T1393 | F856-D860 WeakPolarHBondContact O-CB 3.15Å; F856-D860 PolarHBondContact O-N 3.44Å; L857-D860 PolarHBondContact O-N 2.91Å; D860-R864 WeakPolarHBondContact O-CB 3.21Å; D860-R864 WeakPolarHBondContact O-CD 3.48Å; D860-R864 WeakPolarHBondContact O-CG 3.35Å; D860-R864 PolarHBondContact O-N 3.09Å; D860-R864 IonicContact OD2-CZ 3.21Å; D860-R864 IonicContact OD2-NE 2.69Å; D860-R864 PolarHBondContact OD2-NE 3.12Å; D860-R864 IonicContact OD2-NH2 2.86Å; D860-R864 PolarHBondContact OD2-NH2 3.31Å; D860-T1393 WeakPolarHBondContact OD1-CB 3.4Å; D860-T1393 PolarHBondContact OD1-OG1 3.44Å |
| 861 | N | 90.7 | Very high | 90 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 173.6 | -73.5 | -20.8 | 0 | 0 | 0 | 112.7 | I827 K829 L857 F859 R864 F865 | I827-N861 HydrophobicContact CD1-CB 4.32Å; I827-N861 HydrophobicContact CG2-CB 3.96Å; I827-N861 VanDerWaalsContact CG2-CG 3.42Å; I827-N861 WeakPolarHBondContact CG2-OD1 3.43Å; K829-N861 PolarHBondContact O-ND2 2.83Å; L857-N861 VanDerWaalsContact O-CB 3.32Å; L857-N861 WeakPolarHBondContact O-CB 3.31Å; L857-N861 PolarHBondContact O-N 3.09Å; L857-N861 PolarHBondContact O-ND2 3.09Å; F859-N861 VanDerWaalsContact C-N 3.3Å; F859-N861 PolarHBondContact O-N 3.03Å; N861-R864 PolarHBondContact O-N 3.29Å; N861-F865 PolarHBondContact O-N 3.16Å |
| 862 | A | 90.2 | Very high | 89.8 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 5% | 0.05 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.3 | -46 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F811 M858 F859 R864 F865 N866 T876 | F811-A862 HydrophobicContact CD1-CB 4.47Å; F811-A862 HydrophobicContact CE1-CB 3.72Å; M858-A862 PolarHBondContact O-N 2.89Å; F859-A862 PolarHBondContact O-N 2.99Å; F859-A862 VanDerWaalsContact O-N 3.14Å; A862-R864 VanDerWaalsContact C-N 3.27Å; A862-R864 PolarHBondContact O-N 2.85Å; A862-F865 PolarHBondContact O-N 2.79Å; A862-N866 WeakPolarHBondContact O-CB 3.46Å; A862-N866 PolarHBondContact O-N 2.64Å; A862-N866 PolarHBondContact O-ND2 3.16Å; A862-T876 HydrophobicContact CB-CG2 4.17Å; A862-T876 WeakPolarHBondContact CB-OG1 3.29Å |
| 863 | C | 89.5 | Confident | 89.9 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72.3 | -12.6 | 175.3 | -74.4 | 0 | 0 | 0 | 0 | 114.6 | F859 Y873 T876 T1393 | F859-C863 PolarHBondContact O-N 2.71Å; C863-Y873 HydrophobicContact CB-CD2 3.92Å; C863-Y873 HydrophobicContact CB-CE2 3.6Å; C863-Y873 VanDerWaalsContact SG-CD2 3.58Å; C863-Y873 VanDerWaalsContact SG-CE2 3.56Å; C863-T876 VanDerWaalsContact SG-CG2 3.51Å; C863-T1393 HydrophobicContact CB-CG2 4.01Å |
| 864 | R | 88.7 | Confident | 89.9 | Confident | 145 Ų | 145 | 50.1 Ų | 50.1 | 55% | 0.547 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -85 | -21.5 | 171.7 | -78.4 | 162.8 | -171 | -91 | 0.9 | 114.2 | I827 D860 N861 A862 L1391 | I827-R864 HydrophobicContact CD1-CB 3.73Å; D860-R864 WeakPolarHBondContact O-CB 3.21Å; D860-R864 WeakPolarHBondContact O-CD 3.48Å; D860-R864 WeakPolarHBondContact O-CG 3.35Å; D860-R864 PolarHBondContact O-N 3.09Å; D860-R864 IonicContact OD2-CZ 3.21Å; D860-R864 IonicContact OD2-NE 2.69Å; D860-R864 PolarHBondContact OD2-NE 3.12Å; D860-R864 IonicContact OD2-NH2 2.86Å; D860-R864 PolarHBondContact OD2-NH2 3.31Å; N861-R864 PolarHBondContact O-N 3.29Å; A862-R864 VanDerWaalsContact C-N 3.27Å; A862-R864 PolarHBondContact O-N 2.85Å; R864-L1391 HydrophobicContact CG-CD1 3.55Å |
| 865 | F | 89.9 | Confident | 89.8 | Confident | 58 Ų | 58 | 48.1 Ų | 48.1 | 25% | 0.254 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -112.8 | -27.2 | -173.2 | -175.1 | -95 | 0 | 0 | 0 | 113.6 | L820 Y823 F826 I827 N861 A862 | L820-F865 HydrophobicContact CD1-CZ 4.43Å; L820-F865 HydrophobicContact CD2-CE1 3.86Å; L820-F865 HydrophobicContact CD2-CZ 4.01Å; L820-F865 HydrophobicContact CG-CZ 4.3Å; Y823-F865 VanDerWaalsContact CA-CE2 3.44Å; Y823-F865 HydrophobicContact CD2-CB 4.16Å; Y823-F865 AromaticContact CD2-CD1 3.7Å; Y823-F865 HydrophobicContact CD2-CD1 3.7Å; Y823-F865 AromaticContact CD2-CD2 3.88Å; Y823-F865 HydrophobicContact CD2-CD2 3.88Å; Y823-F865 HydrophobicContact CD2-CE1 4.04Å; Y823-F865 HydrophobicContact CD2-CE2 4.22Å; Y823-F865 AromaticContact CD2-CG 3.61Å; Y823-F865 HydrophobicContact CD2-CG 3.61Å; Y823-F865 HydrophobicContact CD2-CZ 4.28Å; Y823-F865 HydrophobicContact CE2-CB 4.2Å; Y823-F865 HydrophobicContact CE2-CD1 4.32Å; Y823-F865 HydrophobicContact CE2-CG 4.14Å; F826-F865 HydrophobicContact CB-CD2 4.33Å; F826-F865 HydrophobicContact CD2-CE2 4.3Å; I827-F865 HydrophobicContact CD1-CB 4.25Å; I827-F865 HydrophobicContact CG1-CB 4.2Å; N861-F865 PolarHBondContact O-N 3.16Å; A862-F865 PolarHBondContact O-N 2.79Å |
| 866 | N | 88.8 | Confident | 89.7 | Confident | 35 Ų | 35 | 48.1 Ų | 48.1 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -95.5 | 141 | 177.6 | -66.7 | -94 | 0 | 0 | 0 | 110.7 | A862 S870 Y873 | A862-N866 WeakPolarHBondContact O-CB 3.46Å; A862-N866 PolarHBondContact O-N 2.64Å; A862-N866 PolarHBondContact O-ND2 3.16Å; N866-S870 PolarHBondContact OD1-OG 3.11Å; N866-Y873 WeakPolarHBondContact O-CD2 3.29Å |
| 867 | E | 86.4 | Confident | 89.6 | Confident | 139 Ų | 139 | 47.2 Ų | 47.2 | 65% | 0.65 | 24% | 0.241 | S | C | * | . | trans | -60.8 | 150.9 | 169.2 | -66.8 | -56.9 | 147.2 | 0 | 0 | 111.7 | D869 S870 Y873 | E867-D869 PolarHBondContact O-N 3.31Å; E867-D869 VanDerWaalsContact O-N 3.15Å; E867-S870 WeakPolarHBondContact O-CB 3.29Å; E867-S870 PolarHBondContact O-N 2.83Å; E867-Y873 WeakPolarHBondContact O-CB 3.29Å | ||
| 868 | P | 83.7 | Confident | 89.5 | Confident | 75 Ų | 75 | 45.6 Ų | 45.6 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -33 | -177.8 | -27.8 | 36.3 | 0 | 0 | 0 | 114.9 | S870 Y873 | P868-S870 PolarHBondContact O-N 3.47Å; P868-Y873 HydrophobicContact CB-CD1 4.45Å; P868-Y873 HydrophobicContact CB-CE1 4.15Å; P868-Y873 WeakPolarHBondContact O-CD1 3.35Å |
| 869 | D | 84.3 | Confident | 89.4 | Confident | 161 Ų | 161 | 45.4 Ų | 45.4 | 86% | 0.861 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -3.8 | -179.8 | -57.7 | -37.1 | 0 | 0 | 0 | 113.3 | E867 | E867-D869 PolarHBondContact O-N 3.31Å; E867-D869 VanDerWaalsContact O-N 3.15Å |
| 870 | S | 90.4 | Very high | 89.3 | Confident | 34 Ų | 34 | 45.4 Ų | 45.4 | 24% | 0.238 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -71 | 137 | 178.6 | 178.2 | 0 | 0 | 0 | 0 | 111.8 | N866 E867 P868 I872 Y873 A874 | N866-S870 PolarHBondContact OD1-OG 3.11Å; E867-S870 WeakPolarHBondContact O-CB 3.29Å; E867-S870 PolarHBondContact O-N 2.83Å; P868-S870 PolarHBondContact O-N 3.47Å; S870-I872 PolarHBondContact O-N 3.38Å; S870-I872 VanDerWaalsContact O-N 3.16Å; S870-I872 PolarHBondContact OG-N 3.47Å; S870-Y873 WeakPolarHBondContact O-CA 3.47Å; S870-Y873 VanDerWaalsContact O-CB 3.31Å; S870-Y873 WeakPolarHBondContact O-CB 3.43Å; S870-Y873 PolarHBondContact O-N 2.83Å; S870-A874 PolarHBondContact O-N 3.07Å |
| 871 | Q | 87.3 | Confident | 89.2 | Confident | 104 Ų | 104 | 46.4 Ų | 46.4 | 49% | 0.486 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.2 | -31.5 | 172 | -171.8 | 68.8 | 84.9 | 0 | 0 | 112.2 | Y873 A874 D875 | Q871-Y873 VanDerWaalsContact C-N 3.34Å; Q871-A874 PolarHBondContact O-N 3.15Å; Q871-D875 PolarHBondContact NE2-OD1 2.8Å; Q871-D875 VanDerWaalsContact O-CB 3.31Å; Q871-D875 WeakPolarHBondContact O-CB 3.37Å; Q871-D875 PolarHBondContact O-N 2.62Å; Q871-D875 VanDerWaalsContact O-OD1 3.08Å |
| 872 | I | 89.4 | Confident | 89.2 | Confident | 62 Ų | 62 | 46.1 Ų | 46.1 | 32% | 0.318 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.6 | -35.8 | 176.1 | -61 | 176 | 0 | 0 | 0 | 110.6 | F811 S870 T876 | F811-I872 HydrophobicContact CE1-CG2 4.07Å; F811-I872 HydrophobicContact CZ-CG2 3.96Å; S870-I872 PolarHBondContact O-N 3.38Å; S870-I872 VanDerWaalsContact O-N 3.16Å; S870-I872 PolarHBondContact OG-N 3.47Å; I872-T876 VanDerWaalsContact O-CB 3.29Å; I872-T876 WeakPolarHBondContact O-CB 3.09Å; I872-T876 PolarHBondContact O-N 2.61Å; I872-T876 PolarHBondContact O-OG1 3.17Å |
| 873 | Y | 91.4 | Very high | 89.2 | Confident | 26 Ų | 26 | 45.8 Ų | 45.8 | 10% | 0.102 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.2 | -47.7 | 174.6 | -170.1 | -81.9 | 0 | 0 | 0 | 110.6 | C863 N866 E867 P868 S870 Q871 D875 T876 L877 P1392 | C863-Y873 HydrophobicContact CB-CD2 3.92Å; C863-Y873 HydrophobicContact CB-CE2 3.6Å; C863-Y873 VanDerWaalsContact SG-CD2 3.58Å; C863-Y873 VanDerWaalsContact SG-CE2 3.56Å; N866-Y873 WeakPolarHBondContact O-CD2 3.29Å; E867-Y873 WeakPolarHBondContact O-CB 3.29Å; P868-Y873 HydrophobicContact CB-CD1 4.45Å; P868-Y873 HydrophobicContact CB-CE1 4.15Å; P868-Y873 WeakPolarHBondContact O-CD1 3.35Å; S870-Y873 WeakPolarHBondContact O-CA 3.47Å; S870-Y873 VanDerWaalsContact O-CB 3.31Å; S870-Y873 WeakPolarHBondContact O-CB 3.43Å; S870-Y873 PolarHBondContact O-N 2.83Å; Q871-Y873 VanDerWaalsContact C-N 3.34Å; Y873-D875 PolarHBondContact O-N 2.96Å; Y873-T876 VanDerWaalsContact O-CB 3.31Å; Y873-T876 WeakPolarHBondContact O-CB 3.39Å; Y873-T876 PolarHBondContact O-N 3.44Å; Y873-L877 HydrophobicContact CD1-CD1 4.29Å; Y873-L877 HydrophobicContact CD1-CG 4.28Å; Y873-L877 HydrophobicContact CE1-CD1 3.89Å; Y873-L877 HydrophobicContact CE1-CD2 4.35Å; Y873-L877 HydrophobicContact CE1-CG 4.19Å; Y873-L877 WeakPolarHBondContact O-CG 3.41Å; Y873-L877 PolarHBondContact O-N 3.49Å; Y873-L877 VanDerWaalsContact O-N 3.1Å; Y873-P1392 WeakPolarHBondContact OH-CD 3.49Å |
| 874 | A | 88.8 | Confident | 89.2 | Confident | 37 Ų | 37 | 46.7 Ų | 46.7 | 31% | 0.306 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.7 | -48.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S870 Q871 T876 L877 I878 | S870-A874 PolarHBondContact O-N 3.07Å; Q871-A874 PolarHBondContact O-N 3.15Å; A874-T876 VanDerWaalsContact C-N 3.28Å; A874-T876 PolarHBondContact O-N 2.95Å; A874-L877 PolarHBondContact O-N 2.92Å; A874-I878 WeakPolarHBondContact O-CG1 3.32Å; A874-I878 PolarHBondContact O-N 2.84Å |
| 875 | D | 91.1 | Very high | 89.2 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -35.4 | 179.1 | -72.2 | 19.2 | 0 | 0 | 0 | 111.4 | R805 L807 Q871 Y873 I878 L879 | R805-D875 IonicContact CZ-OD1 3.4Å; R805-D875 IonicContact CZ-OD2 3.91Å; R805-D875 IonicContact NE-OD2 3.42Å; R805-D875 PolarHBondContact NE-OD2 2.97Å; R805-D875 IonicContact NH2-OD1 2.84Å; R805-D875 PolarHBondContact NH2-OD1 2.87Å; R805-D875 IonicContact NH2-OD2 2.68Å; R805-D875 PolarHBondContact NH2-OD2 2.71Å; L807-D875 HydrophobicContact CB-CB 4.37Å; L807-D875 WeakPolarHBondContact CD2-OD2 3.24Å; Q871-D875 PolarHBondContact NE2-OD1 2.8Å; Q871-D875 VanDerWaalsContact O-CB 3.31Å; Q871-D875 WeakPolarHBondContact O-CB 3.37Å; Q871-D875 PolarHBondContact O-N 2.62Å; Q871-D875 VanDerWaalsContact O-OD1 3.08Å; Y873-D875 PolarHBondContact O-N 2.96Å; D875-I878 PolarHBondContact O-N 2.85Å; D875-L879 WeakPolarHBondContact O-CB 3.25Å; D875-L879 WeakPolarHBondContact O-CG 3.21Å; D875-L879 PolarHBondContact O-N 2.91Å |
| 876 | T | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 172.7 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | F811 F859 A862 C863 I872 Y873 A874 I878 L879 H880 T1393 | F811-T876 WeakPolarHBondContact CE1-OG1 3.3Å; F811-T876 VanDerWaalsContact CZ-OG1 3.24Å; F811-T876 WeakPolarHBondContact CZ-OG1 3.26Å; F859-T876 HydrophobicContact CB-CG2 3.56Å; F859-T876 HydrophobicContact CD1-CG2 3.95Å; F859-T876 HydrophobicContact CG-CG2 4.12Å; F859-T876 WeakPolarHBondContact O-CG2 3.34Å; A862-T876 HydrophobicContact CB-CG2 4.17Å; A862-T876 WeakPolarHBondContact CB-OG1 3.29Å; C863-T876 VanDerWaalsContact SG-CG2 3.51Å; I872-T876 VanDerWaalsContact O-CB 3.29Å; I872-T876 WeakPolarHBondContact O-CB 3.09Å; I872-T876 PolarHBondContact O-N 2.61Å; I872-T876 PolarHBondContact O-OG1 3.17Å; Y873-T876 VanDerWaalsContact O-CB 3.31Å; Y873-T876 WeakPolarHBondContact O-CB 3.39Å; Y873-T876 PolarHBondContact O-N 3.44Å; A874-T876 VanDerWaalsContact C-N 3.28Å; A874-T876 PolarHBondContact O-N 2.95Å; T876-I878 VanDerWaalsContact C-N 3.3Å; T876-I878 PolarHBondContact O-N 3.24Å; T876-L879 PolarHBondContact O-N 3.49Å; T876-H880 VanDerWaalsContact O-CB 3.27Å; T876-H880 WeakPolarHBondContact O-CB 3.48Å; T876-H880 PolarHBondContact O-N 3.1Å; T876-T1393 HydrophobicContact CG2-CG2 4Å |
| 877 | L | 90.6 | Very high | 89.2 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -37.9 | -178.7 | -61.1 | -164 | 0 | 0 | 0 | 112 | Y873 A874 R881 P1392 T1393 L1494 A1497 | Y873-L877 HydrophobicContact CD1-CD1 4.29Å; Y873-L877 HydrophobicContact CD1-CG 4.28Å; Y873-L877 HydrophobicContact CE1-CD1 3.89Å; Y873-L877 HydrophobicContact CE1-CD2 4.35Å; Y873-L877 HydrophobicContact CE1-CG 4.19Å; Y873-L877 WeakPolarHBondContact O-CG 3.41Å; Y873-L877 PolarHBondContact O-N 3.49Å; Y873-L877 VanDerWaalsContact O-N 3.1Å; A874-L877 PolarHBondContact O-N 2.92Å; L877-R881 WeakPolarHBondContact O-CG 3.22Å; L877-R881 PolarHBondContact O-N 3.37Å; L877-R881 VanDerWaalsContact O-N 3.12Å; L877-P1392 HydrophobicContact CD1-CB 4.32Å; L877-P1392 HydrophobicContact CD2-CB 3.89Å; L877-T1393 HydrophobicContact CD2-CG2 4.12Å; L877-L1494 HydrophobicContact CB-CD1 4.05Å; L877-L1494 HydrophobicContact CD2-CD1 3.9Å; L877-L1494 HydrophobicContact CG-CD1 4.42Å; L877-A1497 HydrophobicContact CD1-CB 3.65Å |
| 878 | I | 89.6 | Confident | 89.1 | Confident | 22 Ų | 22 | 35.2 Ų | 35.2 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.4 | -51.5 | 177.9 | -64.3 | 170.7 | 0 | 0 | 0 | 110.4 | Y800 I802 L807 A874 D875 T876 H880 R881 V882 | Y800-I878 HydrophobicContact CD1-CG2 4.31Å; Y800-I878 HydrophobicContact CE1-CG2 3.73Å; I802-I878 HydrophobicContact CD1-CD1 3.92Å; I802-I878 HydrophobicContact CD1-CG2 3.9Å; L807-I878 HydrophobicContact CD1-CB 4.07Å; L807-I878 HydrophobicContact CD1-CD1 4.48Å; L807-I878 HydrophobicContact CD1-CG2 3.64Å; A874-I878 WeakPolarHBondContact O-CG1 3.32Å; A874-I878 PolarHBondContact O-N 2.84Å; D875-I878 PolarHBondContact O-N 2.85Å; T876-I878 VanDerWaalsContact C-N 3.3Å; T876-I878 PolarHBondContact O-N 3.24Å; I878-H880 PolarHBondContact O-N 3.38Å; I878-R881 PolarHBondContact O-N 2.92Å; I878-R881 VanDerWaalsContact O-N 3.15Å; I878-V882 WeakPolarHBondContact O-CG2 3.31Å; I878-V882 PolarHBondContact O-N 2.85Å |
| 879 | L | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -34.9 | 177.2 | -74.1 | 178.6 | 0 | 0 | 0 | 112.6 | V797 L807 F811 F859 D875 T876 V882 C883 | V797-L879 HydrophobicContact CG1-CD2 4.37Å; V797-L879 WeakPolarHBondContact O-CD2 3.47Å; L807-L879 HydrophobicContact CB-CD1 4.03Å; L807-L879 HydrophobicContact CB-CD2 3.96Å; L807-L879 HydrophobicContact CB-CG 3.91Å; F811-L879 HydrophobicContact CD2-CD1 4.09Å; F811-L879 HydrophobicContact CE2-CD1 3.88Å; F859-L879 HydrophobicContact CD1-CB 4.46Å; F859-L879 HydrophobicContact CE1-CB 3.55Å; F859-L879 HydrophobicContact CE1-CD1 4.24Å; F859-L879 HydrophobicContact CZ-CB 3.81Å; D875-L879 WeakPolarHBondContact O-CB 3.25Å; D875-L879 WeakPolarHBondContact O-CG 3.21Å; D875-L879 PolarHBondContact O-N 2.91Å; T876-L879 PolarHBondContact O-N 3.49Å; L879-V882 PolarHBondContact O-N 3Å; L879-C883 WeakPolarHBondContact O-CB 3.45Å; L879-C883 PolarHBondContact O-N 3.32Å |
| 880 | H | 91.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 175.7 | -173.5 | -139.9 | 0 | 0 | 0 | 112.2 | F856 F859 T876 I878 C883 L884 T1393 L1494 | F856-H880 AromaticContact CD1-CD2 3.56Å; F856-H880 AromaticContact CD1-NE2 3.46Å; F856-H880 WeakPolarHBondContact CD1-NE2 3.47Å; F856-H880 AromaticContact CE1-CD2 3.8Å; F856-H880 AromaticContact CE1-NE2 3.73Å; F859-H880 HydrophobicContact CD2-CB 3.82Å; F859-H880 AromaticContact CD2-CD2 3.59Å; F859-H880 AromaticContact CD2-CG 3.97Å; F859-H880 HydrophobicContact CE2-CB 4.19Å; F859-H880 HydrophobicContact CG-CB 4.16Å; T876-H880 VanDerWaalsContact O-CB 3.27Å; T876-H880 WeakPolarHBondContact O-CB 3.48Å; T876-H880 PolarHBondContact O-N 3.1Å; I878-H880 PolarHBondContact O-N 3.38Å; H880-C883 WeakPolarHBondContact O-CB 3.45Å; H880-C883 PolarHBondContact O-N 3.21Å; H880-L884 WeakPolarHBondContact O-CG 3.31Å; H880-L884 PolarHBondContact O-N 3.12Å; H880-T1393 PolarHBondContact CE1-O 2.8Å; H880-L1494 VanDerWaalsContact ND1-CD2 3.31Å; H880-L1494 WeakPolarHBondContact ND1-CD2 3.4Å |
| 881 | R | 87.8 | Confident | 88.9 | Confident | 48 Ų | 48 | 26.5 Ų | 26.5 | 18% | 0.181 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 173.8 | -70.5 | 166.7 | 117.1 | -145 | 3.8 | 111.9 | L877 I878 L884 A885 L1494 A1495 S1498 E1500 L1502 | L877-R881 WeakPolarHBondContact O-CG 3.22Å; L877-R881 PolarHBondContact O-N 3.37Å; L877-R881 VanDerWaalsContact O-N 3.12Å; I878-R881 PolarHBondContact O-N 2.92Å; I878-R881 VanDerWaalsContact O-N 3.15Å; R881-L884 PolarHBondContact O-N 2.93Å; R881-A885 WeakPolarHBondContact O-CB 3.32Å; R881-A885 PolarHBondContact O-N 2.98Å; R881-L1494 HydrophobicContact CG-CD1 4.15Å; R881-L1494 HydrophobicContact CG-CD2 3.75Å; R881-L1494 HydrophobicContact CG-CG 3.68Å; R881-L1494 PolarHBondContact NE-O 3.09Å; R881-L1494 VanDerWaalsContact NE-O 3.08Å; R881-A1495 PolarHBondContact NH2-O 2.84Å; R881-S1498 PolarHBondContact NH1-O 3.38Å; R881-S1498 PolarHBondContact NH1-OG 3.22Å; R881-S1498 PolarHBondContact NH2-O 3.13Å; R881-E1500 PolarHBondContact NH1-O 3Å; R881-L1502 HydrophobicContact CB-CD1 4.34Å; R881-L1502 HydrophobicContact CB-CD2 4.16Å |
| 882 | V | 89.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.9 | -47.6 | 174.5 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | A796 Y800 I878 L879 L884 A885 K886 L1502 L1507 | A796-V882 WeakPolarHBondContact O-CG1 3.24Å; Y800-V882 HydrophobicContact CD1-CG2 3.88Å; Y800-V882 HydrophobicContact CD2-CB 4.4Å; Y800-V882 HydrophobicContact CD2-CG1 3.84Å; Y800-V882 HydrophobicContact CD2-CG2 3.62Å; Y800-V882 HydrophobicContact CE1-CG2 3.74Å; Y800-V882 HydrophobicContact CE2-CG1 4.34Å; Y800-V882 HydrophobicContact CE2-CG2 3.47Å; Y800-V882 VanDerWaalsContact CE2-CG2 3.47Å; Y800-V882 HydrophobicContact CG-CG1 4.19Å; Y800-V882 HydrophobicContact CG-CG2 3.82Å; I878-V882 WeakPolarHBondContact O-CG2 3.31Å; I878-V882 PolarHBondContact O-N 2.85Å; L879-V882 PolarHBondContact O-N 3Å; V882-L884 PolarHBondContact O-N 3.32Å; V882-A885 PolarHBondContact O-N 2.98Å; V882-K886 PolarHBondContact O-N 3.41Å; V882-L1502 HydrophobicContact CG2-CD2 3.73Å; V882-L1507 HydrophobicContact CG1-CD2 3.97Å |
| 883 | C | 91.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.9 | -49 | 177.2 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | L793 V797 F856 F859 L879 H880 R887 | L793-C883 WeakPolarHBondContact CD1-O 3.38Å; V797-C883 HydrophobicContact CG2-CB 3.68Å; F856-C883 HydrophobicContact CE1-CB 4.39Å; F859-C883 HydrophobicContact CE2-CB 3.96Å; F859-C883 HydrophobicContact CZ-CB 4.43Å; L879-C883 WeakPolarHBondContact O-CB 3.45Å; L879-C883 PolarHBondContact O-N 3.32Å; H880-C883 WeakPolarHBondContact O-CB 3.45Å; H880-C883 PolarHBondContact O-N 3.21Å; C883-R887 WeakPolarHBondContact O-CB 3.03Å; C883-R887 PolarHBondContact O-N 2.94Å |
| 884 | L | 88.8 | Confident | 87.6 | Confident | 24 Ų | 24 | 26.7 Ų | 26.7 | 13% | 0.126 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.3 | -41.1 | 179.4 | -70.1 | 173.3 | 0 | 0 | 0 | 113.1 | F856 H880 R881 V882 R887 S888 L1395 A1490 L1494 | F856-L884 HydrophobicContact CE1-CD2 3.73Å; F856-L884 HydrophobicContact CE1-CG 4.18Å; F856-L884 HydrophobicContact CZ-CD2 3.63Å; H880-L884 WeakPolarHBondContact O-CG 3.31Å; H880-L884 PolarHBondContact O-N 3.12Å; R881-L884 PolarHBondContact O-N 2.93Å; V882-L884 PolarHBondContact O-N 3.32Å; L884-R887 PolarHBondContact O-N 3.05Å; L884-S888 PolarHBondContact O-N 3.45Å; L884-L1395 HydrophobicContact CD1-CD2 3.88Å; L884-L1395 HydrophobicContact CD2-CD1 4.27Å; L884-L1395 HydrophobicContact CD2-CD2 3.93Å; L884-A1490 HydrophobicContact CD1-CB 3.85Å; L884-L1494 HydrophobicContact CD1-CD2 3.88Å |
| 885 | A | 87.9 | Confident | 86.7 | Confident | 34 Ų | 34 | 27.6 Ų | 27.6 | 28% | 0.281 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.5 | -50 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R881 V882 S888 L889 L1502 L1507 | R881-A885 WeakPolarHBondContact O-CB 3.32Å; R881-A885 PolarHBondContact O-N 2.98Å; V882-A885 PolarHBondContact O-N 2.98Å; A885-S888 PolarHBondContact O-N 3.4Å; A885-L889 PolarHBondContact O-N 3.18Å; A885-L889 VanDerWaalsContact O-N 3.15Å; A885-L1502 HydrophobicContact CB-CD1 3.9Å; A885-L1507 HydrophobicContact CB-CD1 4.26Å; A885-L1507 HydrophobicContact CB-CD2 4.17Å |
| 886 | K | 90 | Very high | 85.6 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.2 | -37.6 | 178 | -173.1 | 72.9 | 175.2 | 179.1 | 0 | 111.8 | E792 L793 A796 V882 S888 L889 L890 L1507 | E792-K886 IonicContact OE2-NZ 2.84Å; E792-K886 PolarHBondContact OE2-NZ 2.91Å; L793-K886 HydrophobicContact CD1-CB 3.85Å; L793-K886 HydrophobicContact CD1-CG 4.01Å; A796-K886 HydrophobicContact CB-CB 4.12Å; A796-K886 HydrophobicContact CB-CD 4.1Å; A796-K886 HydrophobicContact CB-CG 3.68Å; V882-K886 PolarHBondContact O-N 3.41Å; K886-S888 PolarHBondContact O-N 3.38Å; K886-L889 PolarHBondContact O-N 3.47Å; K886-L890 HydrophobicContact CD-CD1 4.28Å; K886-L890 HydrophobicContact CD-CG 4.31Å; K886-L890 HydrophobicContact CG-CD1 3.79Å; K886-L890 HydrophobicContact CG-CG 4.24Å; K886-L890 WeakPolarHBondContact O-CB 3.41Å; K886-L890 VanDerWaalsContact O-CG 3.3Å; K886-L890 WeakPolarHBondContact O-CG 3.33Å; K886-L890 PolarHBondContact O-N 3.37Å; K886-L1507 HydrophobicContact CB-CD2 4.14Å; K886-L1507 PolarHBondContact NZ-O 3.47Å |
| 887 | R | 89.6 | Confident | 84.6 | Confident | 13 Ų | 13 | 39.6 Ų | 39.6 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.3 | -47.3 | 171.5 | 167.4 | 166.7 | 175 | -101.3 | 4.7 | 111.8 | L793 F848 E849 C883 L884 L891 K1488 | L793-R887 HydrophobicContact CD2-CB 4.19Å; F848-R887 HydrophobicContact CE1-CG 3.82Å; F848-R887 HydrophobicContact CZ-CB 4.38Å; F848-R887 HydrophobicContact CZ-CG 4.09Å; E849-R887 IonicContact OE1-CZ 2.8Å; E849-R887 IonicContact OE1-NH2 3.25Å; E849-R887 PolarHBondContact OE1-NH2 3.48Å; E849-R887 IonicContact OE2-CZ 3.45Å; E849-R887 IonicContact OE2-NE 3.61Å; E849-R887 PolarHBondContact OE2-NE 3.27Å; E849-R887 VanDerWaalsContact OE2-NE 3.15Å; E849-R887 IonicContact OE2-NH2 2.73Å; E849-R887 PolarHBondContact OE2-NH2 3.05Å; C883-R887 WeakPolarHBondContact O-CB 3.03Å; C883-R887 PolarHBondContact O-N 2.94Å; L884-R887 PolarHBondContact O-N 3.05Å; R887-L891 HydrophobicContact CG-CD1 3.78Å; R887-L891 HydrophobicContact CG-CG 4.44Å; R887-L891 VanDerWaalsContact O-CB 3.25Å; R887-L891 WeakPolarHBondContact O-CB 3.47Å; R887-L891 VanDerWaalsContact O-CG 3.27Å; R887-L891 WeakPolarHBondContact O-CG 3.27Å; R887-L891 PolarHBondContact O-N 3.02Å; R887-K1488 PolarHBondContact NH1-O 3.37Å; R887-K1488 VanDerWaalsContact NH1-O 3.11Å |
| 888 | S | 84.4 | Confident | 83.7 | Confident | 77 Ų | 77 | 40.9 Ų | 40.9 | 54% | 0.538 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 179.4 | -167.3 | 0 | 0 | 0 | 0 | 112.4 | L884 A885 K886 S892 | L884-S888 PolarHBondContact O-N 3.45Å; A885-S888 PolarHBondContact O-N 3.4Å; K886-S888 PolarHBondContact O-N 3.38Å; S888-S892 WeakPolarHBondContact O-CB 3.5Å; S888-S892 PolarHBondContact O-N 3.35Å; S888-S892 VanDerWaalsContact O-N 3.1Å; S888-S892 PolarHBondContact O-OG 2.85Å |
| 889 | L | 85.3 | Confident | 82.7 | Confident | 76 Ų | 76 | 45 Ų | 45 | 40% | 0.398 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 177.6 | -179.1 | 64.3 | 0 | 0 | 0 | 112.2 | A885 K886 S892 A893 N1508 | A885-L889 PolarHBondContact O-N 3.18Å; A885-L889 VanDerWaalsContact O-N 3.15Å; K886-L889 PolarHBondContact O-N 3.47Å; L889-S892 PolarHBondContact O-N 3.47Å; L889-S892 PolarHBondContact O-OG 2.96Å; L889-A893 WeakPolarHBondContact O-CB 3.36Å; L889-A893 PolarHBondContact O-N 2.94Å; L889-A893 VanDerWaalsContact O-N 3.09Å; L889-N1508 WeakPolarHBondContact CD2-OD1 3.18Å |
| 890 | L | 86.4 | Confident | 81.4 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.7 | -40.8 | -178.3 | -70.5 | 171.3 | 0 | 0 | 0 | 112.7 | V789 E792 L793 K886 H894 | V789-L890 HydrophobicContact CG1-CB 4.05Å; V789-L890 HydrophobicContact CG1-CD1 4.41Å; V789-L890 WeakPolarHBondContact O-CD1 3.39Å; E792-L890 HydrophobicContact CB-CD1 3.98Å; E792-L890 HydrophobicContact CB-CD2 4.1Å; L793-L890 HydrophobicContact CB-CD1 3.87Å; K886-L890 HydrophobicContact CD-CD1 4.28Å; K886-L890 HydrophobicContact CD-CG 4.31Å; K886-L890 HydrophobicContact CG-CD1 3.79Å; K886-L890 HydrophobicContact CG-CG 4.24Å; K886-L890 WeakPolarHBondContact O-CB 3.41Å; K886-L890 VanDerWaalsContact O-CG 3.3Å; K886-L890 WeakPolarHBondContact O-CG 3.33Å; K886-L890 PolarHBondContact O-N 3.37Å; L890-H894 PolarHBondContact O-N 3.28Å; L890-H894 PolarHBondContact O-ND1 2.77Å |
| 891 | L | 82.2 | Confident | 80 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -74.3 | -20.9 | -180 | -73.7 | -178.9 | 0 | 0 | 0 | 114.2 | F848 R887 Q895 I900 | F848-L891 HydrophobicContact CD1-CD1 4.1Å; F848-L891 HydrophobicContact CD1-CD2 3.75Å; F848-L891 HydrophobicContact CD1-CG 4.2Å; F848-L891 HydrophobicContact CE1-CD1 3.68Å; F848-L891 HydrophobicContact CE1-CD2 3.83Å; F848-L891 HydrophobicContact CE1-CG 3.78Å; F848-L891 HydrophobicContact CG-CD2 4.1Å; F848-L891 HydrophobicContact CZ-CD1 4.41Å; F848-L891 HydrophobicContact CZ-CD2 4.21Å; F848-L891 HydrophobicContact CZ-CG 4.08Å; R887-L891 HydrophobicContact CG-CD1 3.78Å; R887-L891 HydrophobicContact CG-CG 4.44Å; R887-L891 VanDerWaalsContact O-CB 3.25Å; R887-L891 WeakPolarHBondContact O-CB 3.47Å; R887-L891 VanDerWaalsContact O-CG 3.27Å; R887-L891 WeakPolarHBondContact O-CG 3.27Å; R887-L891 PolarHBondContact O-N 3.02Å; L891-Q895 WeakPolarHBondContact O-CB 3.39Å; L891-I900 HydrophobicContact CD2-CD1 3.54Å |
| 892 | S | 78.1 | Confident | 79 | Confident | 73 Ų | 73 | 49 Ų | 49 | 51% | 0.51 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -83.2 | -44 | 172 | 48.9 | 0 | 0 | 0 | 0 | 111.2 | S888 L889 H894 | S888-S892 WeakPolarHBondContact O-CB 3.5Å; S888-S892 PolarHBondContact O-N 3.35Å; S888-S892 VanDerWaalsContact O-N 3.1Å; S888-S892 PolarHBondContact O-OG 2.85Å; L889-S892 PolarHBondContact O-N 3.47Å; L889-S892 PolarHBondContact O-OG 2.96Å; S892-H894 VanDerWaalsContact C-N 3.3Å; S892-H894 PolarHBondContact O-N 3.37Å |
| 893 | A | 80.7 | Confident | 78.1 | Confident | 73 Ų | 73 | 50.6 Ų | 50.6 | 60% | 0.603 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.2 | -34 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | L889 | L889-A893 WeakPolarHBondContact O-CB 3.36Å; L889-A893 PolarHBondContact O-N 2.94Å; L889-A893 VanDerWaalsContact O-N 3.09Å |
| 894 | H | 80.7 | Confident | 77 | Confident | 49 Ų | 49 | 57 Ų | 57 | 23% | 0.227 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 8.6 | -171.2 | -59.4 | 100.7 | 0 | 0 | 0 | 115.3 | V789 L890 S892 Q896 A897 L898 | V789-H894 HydrophobicContact CG2-CB 4.4Å; L890-H894 PolarHBondContact O-N 3.28Å; L890-H894 PolarHBondContact O-ND1 2.77Å; S892-H894 VanDerWaalsContact C-N 3.3Å; S892-H894 PolarHBondContact O-N 3.37Å; H894-Q896 PolarHBondContact O-N 3.17Å; H894-A897 PolarHBondContact O-N 3.21Å; H894-A897 VanDerWaalsContact O-N 3.11Å; H894-L898 HydrophobicContact CB-CD1 3.73Å; H894-L898 HydrophobicContact CB-CG 3.98Å; H894-L898 PolarHBondContact O-N 3.14Å |
| 895 | Q | 70.7 | Confident | 76.2 | Confident | 57 Ų | 57 | 56.6 Ų | 56.6 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -47.5 | -168.5 | -169.6 | 169.8 | -12.4 | 0 | 0 | 114.1 | L891 S899 I900 | L891-Q895 WeakPolarHBondContact O-CB 3.39Å; Q895-S899 PolarHBondContact O-N 3.45Å; Q895-I900 HydrophobicContact CG-CB 4.42Å; Q895-I900 PolarHBondContact O-N 3.11Å |
| 896 | Q | 67 | Low | 75.6 | Confident | 189 Ų | 189 | 57.8 Ų | 57.8 | 88% | 0.883 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -43.6 | -179.7 | -63.2 | -178.2 | 2.1 | 0 | 0 | 112 | H894 L898 S899 | H894-Q896 PolarHBondContact O-N 3.17Å; Q896-L898 VanDerWaalsContact C-N 3.35Å; Q896-L898 PolarHBondContact O-N 3.23Å; Q896-S899 PolarHBondContact O-N 3.46Å |
| 897 | A | 72.5 | Confident | 75.3 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 56% | 0.562 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -28.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L785 H894 S899 | L785-A897 HydrophobicContact CD2-CB 3.49Å; L785-A897 VanDerWaalsContact CD2-CB 3.49Å; H894-A897 PolarHBondContact O-N 3.21Å; H894-A897 VanDerWaalsContact O-N 3.11Å; A897-S899 VanDerWaalsContact C-N 3.32Å |
| 898 | L | 71.6 | Confident | 75.1 | Confident | 30 Ų | 30 | 62 Ų | 62 | 16% | 0.157 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 1.4 | 173.8 | -65 | 174.8 | 0 | 0 | 0 | 113.4 | L785 L786 V789 H894 Q896 I900 | L785-L898 HydrophobicContact CB-CD2 4.27Å; L785-L898 HydrophobicContact CD2-CD2 4.03Å; L785-L898 HydrophobicContact CD2-CG 4.35Å; L785-L898 HydrophobicContact CG-CD2 3.93Å; L786-L898 HydrophobicContact CB-CD2 3.99Å; L786-L898 HydrophobicContact CD1-CD2 4.25Å; V789-L898 HydrophobicContact CG1-CD1 4.3Å; V789-L898 HydrophobicContact CG2-CD1 4.39Å; H894-L898 HydrophobicContact CB-CD1 3.73Å; H894-L898 HydrophobicContact CB-CG 3.98Å; H894-L898 PolarHBondContact O-N 3.14Å; Q896-L898 VanDerWaalsContact C-N 3.35Å; Q896-L898 PolarHBondContact O-N 3.23Å; L898-I900 HydrophobicContact CB-CD1 3.68Å; L898-I900 HydrophobicContact CB-CG1 3.69Å; L898-I900 HydrophobicContact CD1-CD1 3.82Å; L898-I900 HydrophobicContact CG-CD1 4.42Å; L898-I900 PolarHBondContact O-N 2.85Å |
| 899 | S | 67.2 | Low | 75.1 | Confident | 108 Ų | 108 | 61.5 Ų | 61.5 | 76% | 0.755 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 28.6 | -175.8 | -56.8 | 0 | 0 | 0 | 0 | 114.4 | Q895 Q896 A897 | Q895-S899 PolarHBondContact O-N 3.45Å; Q896-S899 PolarHBondContact O-N 3.46Å; A897-S899 VanDerWaalsContact C-N 3.32Å |
| 900 | I | 65.1 | Low | 75.1 | Confident | 41 Ų | 41 | 60.1 Ų | 60.1 | 21% | 0.21 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -76 | 127.8 | -175.5 | -65.4 | 174.9 | 0 | 0 | 0 | 109.2 | L891 Q895 L898 | L891-I900 HydrophobicContact CD2-CD1 3.54Å; Q895-I900 HydrophobicContact CG-CB 4.42Å; Q895-I900 PolarHBondContact O-N 3.11Å; L898-I900 HydrophobicContact CB-CD1 3.68Å; L898-I900 HydrophobicContact CB-CG1 3.69Å; L898-I900 HydrophobicContact CD1-CD1 3.82Å; L898-I900 HydrophobicContact CG-CD1 4.42Å; L898-I900 PolarHBondContact O-N 2.85Å |
| 901 | P | 62.3 | Low | 75 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 31% | 0.312 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 154 | -179.6 | -25.9 | 34.1 | 0 | 0 | 0 | 113.4 | C903 Q1483 M1485 | P901-C903 PolarHBondContact O-N 3.48Å; P901-Q1483 WeakPolarHBondContact CB-O 3.47Å; P901-M1485 HydrophobicContact CB-CB 4.44Å; P901-M1485 HydrophobicContact CB-CG 4.16Å; P901-M1485 HydrophobicContact CG-CG 4.18Å |
| 902 | P | 66.8 | Low | 75.2 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 29% | 0.286 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 139 | 174 | 26.1 | -34.1 | 0 | 0 | 0 | 110.7 | I1484 M1485 | P902-I1484 WeakPolarHBondContact O-CA 3.48Å; P902-I1484 WeakPolarHBondContact O-CG2 3.22Å; P902-M1485 PolarHBondContact O-N 3.44Å |
| 903 | C | 70 | Confident | 75.7 | Confident | 34 Ų | 34 | 62 Ų | 62 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -100.3 | -6.7 | 176.5 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | P901 M1485 R1487 | P901-C903 PolarHBondContact O-N 3.48Å; C903-M1485 WeakPolarHBondContact CA-O 3.46Å; C903-M1485 VanDerWaalsContact CB-O 3.29Å; C903-M1485 WeakPolarHBondContact CB-O 3.4Å; C903-R1487 HydrophobicContact CB-CG 3.87Å |
| 904 | I | 70.7 | Confident | 75.9 | Confident | 134 Ų | 134 | 65.6 Ų | 65.6 | 69% | 0.687 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -115.5 | 144.8 | 175.6 | -54.2 | 176.1 | 0 | 0 | 0 | 107.3 | ||
| 905 | A | 71.9 | Confident | 76.3 | Confident | 17 Ų | 17 | 63.9 Ų | 63.9 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | trans | -70 | 146.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1480 I1484 | A905-F1480 HydrophobicContact CB-CE1 4.15Å; A905-F1480 HydrophobicContact CB-CZ 3.89Å; A905-I1484 VanDerWaalsContact CA-CD1 3.44Å; A905-I1484 HydrophobicContact CB-CD1 3.66Å | ||
| 906 | P | 75.3 | Confident | 77.3 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | trans | -61.3 | 148.2 | 159.7 | 30.2 | -35 | 0 | 0 | 0 | 109.3 | V908 F1480 | P906-V908 PolarHBondContact O-N 3.26Å; P906-F1480 HydrophobicContact CG-CD1 3.53Å; P906-F1480 HydrophobicContact CG-CE1 3.67Å | ||
| 907 | D | 82.7 | Confident | 78.3 | Confident | 96 Ų | 96 | 54.2 Ų | 54.2 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | trans | -63.4 | 99.5 | 175.7 | 178.6 | -7.9 | 0 | 0 | 0 | 110.6 | A909 T910 G911 | D907-A909 PolarHBondContact OD1-N 3.46Å; D907-A909 VanDerWaalsContact OD1-N 3.13Å; D907-T910 VanDerWaalsContact CG-OG1 3.3Å; D907-T910 PolarHBondContact OD1-N 2.93Å; D907-T910 WeakPolarHBondContact OD2-CB 3.48Å; D907-T910 PolarHBondContact OD2-OG1 3.15Å; D907-G911 PolarHBondContact O-N 3.49Å | ||
| 908 | V | 85.5 | Confident | 79.1 | Confident | 16 Ų | 16 | 54.1 Ų | 54.1 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.8 | -38.6 | -178.9 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | P906 G911 L912 R1432 T1434 Y1478 F1480 | P906-V908 PolarHBondContact O-N 3.26Å; V908-G911 PolarHBondContact O-N 3.25Å; V908-L912 VanDerWaalsContact O-CB 3.27Å; V908-L912 WeakPolarHBondContact O-CB 3.42Å; V908-L912 PolarHBondContact O-N 3.22Å; V908-R1432 HydrophobicContact CG2-CB 4.05Å; V908-R1432 HydrophobicContact CG2-CG 3.98Å; V908-T1434 HydrophobicContact CG1-CG2 4.41Å; V908-Y1478 HydrophobicContact CB-CG 4.43Å; V908-Y1478 HydrophobicContact CG1-CD1 4.45Å; V908-Y1478 HydrophobicContact CG1-CD2 3.98Å; V908-Y1478 HydrophobicContact CG1-CG 3.77Å; V908-Y1478 HydrophobicContact CG2-CD1 3.87Å; V908-Y1478 HydrophobicContact CG2-CE1 4.4Å; V908-Y1478 HydrophobicContact CG2-CG 4.05Å; V908-F1480 HydrophobicContact CG2-CE1 4Å |
| 909 | A | 85.2 | Confident | 80.1 | Confident | 68 Ų | 68 | 52.7 Ų | 52.7 | 56% | 0.562 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.5 | -45.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | D907 R913 | D907-A909 PolarHBondContact OD1-N 3.46Å; D907-A909 VanDerWaalsContact OD1-N 3.13Å; A909-R913 WeakPolarHBondContact O-CB 3.44Å; A909-R913 PolarHBondContact O-N 3.03Å |
| 910 | T | 84.7 | Confident | 81.3 | Confident | 47 Ų | 47 | 47.6 Ų | 47.6 | 29% | 0.288 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.1 | -37.1 | 173.2 | -66.7 | 0 | 0 | 0 | 0 | 112 | D907 R914 | D907-T910 VanDerWaalsContact CG-OG1 3.3Å; D907-T910 PolarHBondContact OD1-N 2.93Å; D907-T910 WeakPolarHBondContact OD2-CB 3.48Å; D907-T910 PolarHBondContact OD2-OG1 3.15Å; T910-R914 HydrophobicContact CG2-CG 4.47Å; T910-R914 WeakPolarHBondContact O-CB 3.39Å; T910-R914 WeakPolarHBondContact O-CD 3.49Å; T910-R914 WeakPolarHBondContact O-CG 3.05Å; T910-R914 PolarHBondContact O-N 2.99Å |
| 911 | G | 83.2 | Confident | 82.4 | Confident | 13 Ų | 13 | 48.7 Ų | 48.7 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -48 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | D907 V908 L915 | D907-G911 PolarHBondContact O-N 3.49Å; V908-G911 PolarHBondContact O-N 3.25Å; G911-L915 PolarHBondContact O-N 3.23Å; G911-L915 VanDerWaalsContact O-N 3.08Å |
| 912 | L | 87.2 | Confident | 83.7 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.4 | -45.8 | 178.3 | -176.2 | 58.8 | 0 | 0 | 0 | 112 | V908 R914 L915 L916 H969 L1052 T1434 | V908-L912 VanDerWaalsContact O-CB 3.27Å; V908-L912 WeakPolarHBondContact O-CB 3.42Å; V908-L912 PolarHBondContact O-N 3.22Å; L912-R914 VanDerWaalsContact C-N 3.25Å; L912-R914 PolarHBondContact O-N 2.83Å; L912-L915 HydrophobicContact CD1-CD2 4.26Å; L912-L915 WeakPolarHBondContact O-CA 3.22Å; L912-L915 WeakPolarHBondContact O-CB 3.21Å; L912-L915 PolarHBondContact O-N 2.78Å; L912-L916 HydrophobicContact CD1-CD1 4.18Å; L912-L916 HydrophobicContact CD1-CD2 4.3Å; L912-L916 HydrophobicContact CD1-CG 4.01Å; L912-L916 HydrophobicContact CG-CD1 3.93Å; L912-L916 HydrophobicContact CG-CG 4.2Å; L912-L916 WeakPolarHBondContact O-CG 3.42Å; L912-L916 PolarHBondContact O-N 3.48Å; L912-H969 WeakPolarHBondContact CD2-O 3.35Å; L912-L1052 HydrophobicContact CD1-CD1 4.18Å; L912-L1052 HydrophobicContact CD1-CD2 3.72Å; L912-T1434 HydrophobicContact CD2-CG2 3.65Å |
| 913 | R | 88.4 | Confident | 84.9 | Confident | 106 Ų | 106 | 45.7 Ų | 45.7 | 40% | 0.4 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -53 | -45.3 | 174 | -178.2 | 178.7 | -78.9 | -124.2 | -3.3 | 110.8 | A909 L916 T917 E965 G966 | A909-R913 WeakPolarHBondContact O-CB 3.44Å; A909-R913 PolarHBondContact O-N 3.03Å; R913-L916 PolarHBondContact O-N 3.37Å; R913-T917 WeakPolarHBondContact O-CB 3.45Å; R913-T917 PolarHBondContact O-N 3.14Å; R913-T917 PolarHBondContact O-OG1 3.46Å; R913-E965 VanDerWaalsContact CZ-O 3.22Å; R913-E965 PolarHBondContact NH1-O 3.2Å; R913-E965 PolarHBondContact NH2-O 3.18Å; R913-G966 VanDerWaalsContact CZ-CA 3.48Å; R913-G966 VanDerWaalsContact NH2-C 3.34Å; R913-G966 PolarHBondContact NH2-O 3.21Å |
| 914 | R | 86.3 | Confident | 85.7 | Confident | 148 Ų | 148 | 46.2 Ų | 46.2 | 56% | 0.558 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.6 | -42.2 | 174.5 | -74.7 | 169.8 | 178.9 | 161.9 | 3 | 113 | T910 L912 N918 | T910-R914 HydrophobicContact CG2-CG 4.47Å; T910-R914 WeakPolarHBondContact O-CB 3.39Å; T910-R914 WeakPolarHBondContact O-CD 3.49Å; T910-R914 WeakPolarHBondContact O-CG 3.05Å; T910-R914 PolarHBondContact O-N 2.99Å; L912-R914 VanDerWaalsContact C-N 3.25Å; L912-R914 PolarHBondContact O-N 2.83Å; R914-N918 WeakPolarHBondContact O-CB 3.38Å; R914-N918 PolarHBondContact O-N 2.84Å; R914-N918 PolarHBondContact O-ND2 2.79Å; R914-N918 VanDerWaalsContact O-ND2 3.12Å |
| 915 | L | 88.3 | Confident | 86.3 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 7% | 0.068 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.9 | -50.1 | 175.6 | 173.1 | 60.8 | 0 | 0 | 0 | 111.4 | G911 L912 N918 L919 L1024 V1050 L1052 | G911-L915 PolarHBondContact O-N 3.23Å; G911-L915 VanDerWaalsContact O-N 3.08Å; L912-L915 HydrophobicContact CD1-CD2 4.26Å; L912-L915 WeakPolarHBondContact O-CA 3.22Å; L912-L915 WeakPolarHBondContact O-CB 3.21Å; L912-L915 PolarHBondContact O-N 2.78Å; L915-N918 PolarHBondContact O-N 3.01Å; L915-L919 WeakPolarHBondContact O-CB 3.4Å; L915-L919 PolarHBondContact O-N 3.49Å; L915-L1024 HydrophobicContact CD1-CB 3.79Å; L915-L1024 HydrophobicContact CD1-CD1 4.04Å; L915-L1024 HydrophobicContact CD1-CG 4.46Å; L915-V1050 HydrophobicContact CD2-CG1 3.97Å; L915-L1052 HydrophobicContact CD2-CB 4.44Å; L915-L1052 HydrophobicContact CD2-CD2 3.97Å |
| 916 | L | 90.7 | Very high | 87 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.5 | -46.6 | -177.9 | -63.8 | 178.7 | 0 | 0 | 0 | 112 | L912 R913 N918 L919 H920 Y968 L971 L974 | L912-L916 HydrophobicContact CD1-CD1 4.18Å; L912-L916 HydrophobicContact CD1-CD2 4.3Å; L912-L916 HydrophobicContact CD1-CG 4.01Å; L912-L916 HydrophobicContact CG-CD1 3.93Å; L912-L916 HydrophobicContact CG-CG 4.2Å; L912-L916 WeakPolarHBondContact O-CG 3.42Å; L912-L916 PolarHBondContact O-N 3.48Å; R913-L916 PolarHBondContact O-N 3.37Å; L916-N918 PolarHBondContact O-N 2.92Å; L916-L919 PolarHBondContact O-N 2.57Å; L916-H920 WeakPolarHBondContact O-CB 3.41Å; L916-H920 PolarHBondContact O-N 3.46Å; L916-Y968 WeakPolarHBondContact CD1-O 3.14Å; L916-L971 HydrophobicContact CD2-CB 4.01Å; L916-L971 HydrophobicContact CD2-CD1 3.83Å; L916-L974 HydrophobicContact CB-CD2 3.88Å; L916-L974 HydrophobicContact CD2-CB 4.42Å; L916-L974 HydrophobicContact CD2-CD2 3.8Å; L916-L974 HydrophobicContact CG-CD2 4.35Å |
| 917 | T | 89.5 | Confident | 87.4 | Confident | 39 Ų | 39 | 44 Ų | 44 | 24% | 0.239 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 174.4 | -55.6 | 0 | 0 | 0 | 0 | 112 | R913 N921 | R913-T917 WeakPolarHBondContact O-CB 3.45Å; R913-T917 PolarHBondContact O-N 3.14Å; R913-T917 PolarHBondContact O-OG1 3.46Å; T917-N921 VanDerWaalsContact O-CB 3.31Å; T917-N921 WeakPolarHBondContact O-CB 3.3Å; T917-N921 PolarHBondContact O-N 3.35Å; T917-N921 PolarHBondContact O-ND2 3.2Å |
| 918 | N | 89 | Confident | 87.3 | Confident | 65 Ų | 65 | 41.4 Ų | 41.4 | 35% | 0.348 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.5 | -43.5 | 177 | -75.6 | -21.1 | 0 | 0 | 0 | 112.2 | R914 L915 L916 N921 A922 | R914-N918 WeakPolarHBondContact O-CB 3.38Å; R914-N918 PolarHBondContact O-N 2.84Å; R914-N918 PolarHBondContact O-ND2 2.79Å; R914-N918 VanDerWaalsContact O-ND2 3.12Å; L915-N918 PolarHBondContact O-N 3.01Å; L916-N918 PolarHBondContact O-N 2.92Å; N918-N921 PolarHBondContact O-N 3.15Å; N918-A922 VanDerWaalsContact O-CB 3.24Å; N918-A922 WeakPolarHBondContact O-CB 3.5Å; N918-A922 PolarHBondContact O-N 2.78Å |
| 919 | L | 91.5 | Very high | 86.7 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 177.9 | -177.1 | 62.6 | 0 | 0 | 0 | 111.1 | L915 L916 M923 L971 W1017 L1020 R1021 L1024 | L915-L919 WeakPolarHBondContact O-CB 3.4Å; L915-L919 PolarHBondContact O-N 3.49Å; L916-L919 PolarHBondContact O-N 2.57Å; L919-M923 VanDerWaalsContact O-CG 3.28Å; L919-M923 WeakPolarHBondContact O-CG 3.19Å; L919-M923 PolarHBondContact O-N 3.14Å; L919-L971 HydrophobicContact CD2-CD1 3.56Å; L919-W1017 HydrophobicContact CD1-CZ3 4.45Å; L919-W1017 HydrophobicContact CD2-CH2 3.4Å; L919-W1017 HydrophobicContact CD2-CZ2 3.51Å; L919-W1017 HydrophobicContact CD2-CZ3 3.98Å; L919-W1017 HydrophobicContact CG-CE3 4.28Å; L919-W1017 HydrophobicContact CG-CH2 3.64Å; L919-W1017 HydrophobicContact CG-CZ2 4.18Å; L919-W1017 HydrophobicContact CG-CZ3 3.7Å; L919-L1020 HydrophobicContact CD1-CB 4.14Å; L919-L1020 HydrophobicContact CD1-CD2 3.9Å; L919-L1020 HydrophobicContact CD1-CG 3.78Å; L919-R1021 HydrophobicContact CD2-CB 4.44Å; L919-L1024 HydrophobicContact CD1-CD1 4.24Å |
| 920 | H | 92.4 | Very high | 86 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -47.1 | 174.5 | -178.1 | 92.9 | 0 | 0 | 0 | 112.5 | L916 A922 M923 L924 H960 V963 W978 | L916-H920 WeakPolarHBondContact O-CB 3.41Å; L916-H920 PolarHBondContact O-N 3.46Å; H920-A922 PolarHBondContact O-N 2.81Å; H920-M923 WeakPolarHBondContact O-CB 3.46Å; H920-M923 PolarHBondContact O-N 2.87Å; H920-M923 VanDerWaalsContact O-N 3.16Å; H920-L924 VanDerWaalsContact NE2-CD1 3.32Å; H920-L924 WeakPolarHBondContact NE2-CD1 3.34Å; H920-L924 PolarHBondContact O-N 2.87Å; H920-H960 AromaticContact CD2-CD2 3.98Å; H920-H960 WeakPolarHBondContact NE2-CA 3.49Å; H920-H960 AromaticContact NE2-CD2 3.51Å; H920-H960 AromaticContact NE2-CG 3.92Å; H920-V963 HydrophobicContact CB-CG1 3.94Å; H920-V963 HydrophobicContact CB-CG2 4.45Å; H920-W978 AromaticContact ND1-NE1 3.41Å; H920-W978 PolarHBondContact ND1-NE1 3.14Å |
| 921 | N | 89.1 | Confident | 85.4 | Confident | 65 Ų | 65 | 48.6 Ų | 48.6 | 35% | 0.348 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | -179.2 | -72.4 | -12.4 | 0 | 0 | 0 | 112.6 | T917 N918 M923 L924 T925 | T917-N921 VanDerWaalsContact O-CB 3.31Å; T917-N921 WeakPolarHBondContact O-CB 3.3Å; T917-N921 PolarHBondContact O-N 3.35Å; T917-N921 PolarHBondContact O-ND2 3.2Å; N918-N921 PolarHBondContact O-N 3.15Å; N921-M923 PolarHBondContact O-N 3.19Å; N921-L924 PolarHBondContact O-N 2.97Å; N921-T925 WeakPolarHBondContact O-CB 3.49Å; N921-T925 PolarHBondContact O-N 3.35Å; N921-T925 PolarHBondContact O-OG1 2.93Å |
| 922 | A | 89.7 | Confident | 85 | Confident | 28 Ų | 28 | 50.4 Ų | 50.4 | 23% | 0.231 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.7 | -12.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N918 H920 R1016 L1020 | N918-A922 VanDerWaalsContact O-CB 3.24Å; N918-A922 WeakPolarHBondContact O-CB 3.5Å; N918-A922 PolarHBondContact O-N 2.78Å; H920-A922 PolarHBondContact O-N 2.81Å; A922-R1016 PolarHBondContact O-NE 3.17Å; A922-R1016 PolarHBondContact O-NH2 3.06Å; A922-L1020 HydrophobicContact CB-CD2 3.54Å |
| 923 | M | 92.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -92.5 | -43.8 | 172 | -76.8 | -75.5 | -59.7 | 0 | 0 | 112.2 | L919 H920 N921 T925 A926 V935 W978 L982 L1013 R1016 W1017 | L919-M923 VanDerWaalsContact O-CG 3.28Å; L919-M923 WeakPolarHBondContact O-CG 3.19Å; L919-M923 PolarHBondContact O-N 3.14Å; H920-M923 WeakPolarHBondContact O-CB 3.46Å; H920-M923 PolarHBondContact O-N 2.87Å; H920-M923 VanDerWaalsContact O-N 3.16Å; N921-M923 PolarHBondContact O-N 3.19Å; M923-T925 PolarHBondContact O-N 2.95Å; M923-A926 WeakPolarHBondContact O-CB 3.46Å; M923-A926 PolarHBondContact O-N 3.03Å; M923-A926 VanDerWaalsContact O-N 3.1Å; M923-V935 WeakPolarHBondContact O-CG2 3.17Å; M923-W978 HydrophobicContact CB-CH2 4.31Å; M923-W978 HydrophobicContact CB-CZ2 3.63Å; M923-W978 HydrophobicContact CE-CD2 4.11Å; M923-W978 HydrophobicContact CE-CE3 3.92Å; M923-W978 HydrophobicContact CE-CH2 4Å; M923-W978 HydrophobicContact CE-CZ2 4.18Å; M923-W978 HydrophobicContact CE-CZ3 3.88Å; M923-L982 HydrophobicContact CE-CD1 4.3Å; M923-L1013 HydrophobicContact CE-CB 4.07Å; M923-L1013 HydrophobicContact CE-CD2 3.81Å; M923-L1013 WeakPolarHBondContact CE-O 3.37Å; M923-L1013 HydrophobicContact SD-CD2 4.36Å; M923-R1016 HydrophobicContact SD-CB 4.38Å; M923-R1016 HydrophobicContact SD-CG 4.1Å; M923-W1017 HydrophobicContact CE-CB 4.04Å; M923-W1017 HydrophobicContact CE-CE3 4.05Å; M923-W1017 HydrophobicContact CG-CE3 3.74Å; M923-W1017 HydrophobicContact CG-CZ3 4.13Å; M923-W1017 HydrophobicContact SD-CB 4.12Å; M923-W1017 HydrophobicContact SD-CE3 4.17Å |
| 924 | L | 86 | Confident | 84.4 | Confident | 45 Ų | 45 | 45.9 Ų | 45.9 | 24% | 0.236 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -33.8 | 172 | -72.2 | -175.8 | 0 | 0 | 0 | 112.7 | H920 N921 A926 V935 L956 W978 | H920-L924 VanDerWaalsContact NE2-CD1 3.32Å; H920-L924 WeakPolarHBondContact NE2-CD1 3.34Å; H920-L924 PolarHBondContact O-N 2.87Å; N921-L924 PolarHBondContact O-N 2.97Å; L924-A926 VanDerWaalsContact C-N 3.3Å; L924-V935 HydrophobicContact CD2-CG1 4.48Å; L924-L956 HydrophobicContact CD2-CD2 4.43Å; L924-W978 HydrophobicContact CD2-CZ2 4.21Å |
| 925 | T | 84.1 | Confident | 84.4 | Confident | 104 Ų | 104 | 39.3 Ų | 39.3 | 64% | 0.638 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 14.7 | 176.1 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | N921 M923 C927 | N921-T925 WeakPolarHBondContact O-CB 3.49Å; N921-T925 PolarHBondContact O-N 3.35Å; N921-T925 PolarHBondContact O-OG1 2.93Å; M923-T925 PolarHBondContact O-N 2.95Å; T925-C927 PolarHBondContact O-N 3.28Å |
| 926 | A | 85.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -70.9 | 122.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M923 L924 G933 L934 L1013 R1016 | M923-A926 WeakPolarHBondContact O-CB 3.46Å; M923-A926 PolarHBondContact O-N 3.03Å; M923-A926 VanDerWaalsContact O-N 3.1Å; L924-A926 VanDerWaalsContact C-N 3.3Å; A926-G933 CarbonylContact O-C 3.48Å; A926-G933 WeakPolarHBondContact O-CA 3.14Å; A926-L934 HydrophobicContact CB-CD1 4.28Å; A926-L934 PolarHBondContact O-N 2.68Å; A926-L1013 HydrophobicContact CB-CD2 3.61Å; A926-R1016 VanDerWaalsContact CB-NE 3.31Å | ||
| 927 | C | 84.2 | Confident | 83.3 | Confident | 59 Ų | 59 | 41.2 Ų | 41.2 | 40% | 0.399 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -120.1 | 159.7 | 172.6 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | T925 R932 | T925-C927 PolarHBondContact O-N 3.28Å; C927-R932 CarbonylContact C-O 3.57Å; C927-R932 WeakPolarHBondContact CA-O 3.49Å; C927-R932 VanDerWaalsContact CB-O 3.26Å; C927-R932 WeakPolarHBondContact CB-O 3.35Å |
| 928 | D | 80.5 | Confident | 82.9 | Confident | 43 Ų | 43 | 39.5 Ų | 39.5 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | trans | -82.4 | -177 | 169.5 | 64.2 | 21.9 | 0 | 0 | 0 | 112.5 | D930 G931 R932 L934 | D928-D930 PolarHBondContact O-N 2.83Å; D928-D930 WeakPolarHBondContact OD1-CA 3.38Å; D928-D930 WeakPolarHBondContact OD1-CB 3.46Å; D928-D930 PolarHBondContact OD1-N 3.43Å; D928-G931 PolarHBondContact O-N 3.15Å; D928-G931 PolarHBondContact OD1-N 3.26Å; D928-G931 VanDerWaalsContact OD1-N 3.15Å; D928-R932 PolarHBondContact N-O 3.49Å; D928-R932 PolarHBondContact OD1-N 3.19Å; D928-R932 IonicContact OD2-CZ 2.99Å; D928-R932 IonicContact OD2-NE 2.71Å; D928-R932 PolarHBondContact OD2-NE 3.01Å; D928-R932 IonicContact OD2-NH2 3.3Å; D928-R932 PolarHBondContact OD2-NH2 3.32Å; D928-L934 HydrophobicContact CB-CD2 4.05Å | ||
| 929 | A | 73.7 | Confident | 82.4 | Confident | 113 Ų | 113 | 37.1 Ų | 37.1 | 93% | 0.934 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G931 | A929-G931 VanDerWaalsContact C-N 3.32Š|
| 930 | D | 70.5 | Confident | 81.2 | Confident | 113 Ų | 113 | 37.5 Ų | 37.5 | 60% | 0.604 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -7.8 | 171.4 | -83.3 | -4.5 | 0 | 0 | 0 | 111.7 | D928 K1258 | D928-D930 PolarHBondContact O-N 2.83Å; D928-D930 WeakPolarHBondContact OD1-CA 3.38Å; D928-D930 WeakPolarHBondContact OD1-CB 3.46Å; D928-D930 PolarHBondContact OD1-N 3.43Å; D930-K1258 IonicContact OD2-NZ 3.62Å; D930-K1258 PolarHBondContact OD2-NZ 3.31Å |
| 931 | G | 71.3 | Confident | 79.8 | Confident | 55 Ų | 55 | 37.9 Ų | 37.9 | 57% | 0.567 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 80.2 | 12.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D928 A929 | D928-G931 PolarHBondContact O-N 3.15Å; D928-G931 PolarHBondContact OD1-N 3.26Å; D928-G931 VanDerWaalsContact OD1-N 3.15Å; A929-G931 VanDerWaalsContact C-N 3.32Å |
| 932 | R | 75.8 | Confident | 78.3 | Confident | 51 Ų | 51 | 36.1 Ų | 36.1 | 19% | 0.192 | 24% | 0.237 | C | C | . | . | trans | -78.3 | 133.5 | 173.2 | 172.2 | -170.5 | 65.2 | 108.4 | 7.3 | 109.1 | C927 D928 L934 S937 D1009 | C927-R932 CarbonylContact C-O 3.57Å; C927-R932 WeakPolarHBondContact CA-O 3.49Å; C927-R932 VanDerWaalsContact CB-O 3.26Å; C927-R932 WeakPolarHBondContact CB-O 3.35Å; D928-R932 PolarHBondContact N-O 3.49Å; D928-R932 PolarHBondContact OD1-N 3.19Å; D928-R932 IonicContact OD2-CZ 2.99Å; D928-R932 IonicContact OD2-NE 2.71Å; D928-R932 PolarHBondContact OD2-NE 3.01Å; D928-R932 IonicContact OD2-NH2 3.3Å; D928-R932 PolarHBondContact OD2-NH2 3.32Å; R932-L934 PolarHBondContact O-N 3.4Å; R932-S937 PolarHBondContact NH1-OG 2.95Å; R932-D1009 IonicContact CZ-OD1 3.64Å; R932-D1009 IonicContact CZ-OD2 3.64Å; R932-D1009 VanDerWaalsContact NH1-CG 3.34Å; R932-D1009 IonicContact NH1-OD1 2.77Å; R932-D1009 PolarHBondContact NH1-OD1 3.34Å; R932-D1009 IonicContact NH1-OD2 2.75Å; R932-D1009 PolarHBondContact NH1-OD2 3.32Å; R932-D1009 IonicContact NH2-OD1 3.76Å; R932-D1009 PolarHBondContact NH2-OD1 2.58Å; R932-D1009 IonicContact NH2-OD2 2.65Å | ||
| 933 | G | 77.5 | Confident | 76.5 | Confident | 13 Ų | 13 | 35 Ų | 35 | 13% | 0.134 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -65.9 | 125.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A926 V935 D936 | A926-G933 CarbonylContact O-C 3.48Å; A926-G933 WeakPolarHBondContact O-CA 3.14Å; G933-V935 VanDerWaalsContact C-N 3.26Å; G933-V935 PolarHBondContact O-N 3.46Å; G933-D936 WeakPolarHBondContact CA-OD2 3.33Å; G933-D936 PolarHBondContact N-OD2 3.01Å; G933-D936 WeakPolarHBondContact O-CB 3.39Å; G933-D936 PolarHBondContact O-N 3.25Å |
| 934 | L | 84.2 | Confident | 74.6 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.3 | -35.7 | 176 | -63.7 | 174.7 | 0 | 0 | 0 | 110.7 | A926 D928 R932 D1009 E1012 L1013 | A926-L934 HydrophobicContact CB-CD1 4.28Å; A926-L934 PolarHBondContact O-N 2.68Å; D928-L934 HydrophobicContact CB-CD2 4.05Å; R932-L934 PolarHBondContact O-N 3.4Å; L934-D1009 HydrophobicContact CB-CB 4.35Å; L934-D1009 HydrophobicContact CD2-CB 4.17Å; L934-D1009 WeakPolarHBondContact CD2-OD1 3.27Å; L934-E1012 HydrophobicContact CD1-CB 4.32Å; L934-E1012 HydrophobicContact CD1-CG 3.81Å; L934-L1013 HydrophobicContact CB-CD1 3.86Å; L934-L1013 HydrophobicContact CB-CD2 3.96Å; L934-L1013 HydrophobicContact CB-CG 3.74Å; L934-L1013 HydrophobicContact CD1-CD2 4.14Å; L934-L1013 HydrophobicContact CD1-CG 4.06Å |
| 935 | V | 86.6 | Confident | 73.2 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.8 | -29.7 | 175.7 | 179.3 | 0 | 0 | 0 | 0 | 112.1 | M923 L924 G933 S937 L938 I939 L956 W978 L1013 | M923-V935 WeakPolarHBondContact O-CG2 3.17Å; L924-V935 HydrophobicContact CD2-CG1 4.48Å; G933-V935 VanDerWaalsContact C-N 3.26Å; G933-V935 PolarHBondContact O-N 3.46Å; V935-S937 VanDerWaalsContact C-N 3.26Å; V935-S937 PolarHBondContact O-N 3.05Å; V935-L938 PolarHBondContact O-N 3.26Å; V935-I939 HydrophobicContact CG1-CG2 4.15Å; V935-I939 PolarHBondContact O-N 3.11Å; V935-I939 VanDerWaalsContact O-N 3.15Å; V935-L956 HydrophobicContact CG1-CD1 3.69Å; V935-W978 HydrophobicContact CG2-CH2 4.26Å; V935-L1013 HydrophobicContact CG2-CD1 3.89Å; V935-L1013 HydrophobicContact CG2-CD2 4.06Å |
| 936 | D | 77.9 | Confident | 72.3 | Confident | 43 Ų | 43 | 36.6 Ų | 36.6 | 23% | 0.23 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.4 | -42.8 | 178.8 | -69.6 | -50.1 | 0 | 0 | 0 | 110.2 | G933 L938 I939 A940 R1197 | G933-D936 WeakPolarHBondContact CA-OD2 3.33Å; G933-D936 PolarHBondContact N-OD2 3.01Å; G933-D936 WeakPolarHBondContact O-CB 3.39Å; G933-D936 PolarHBondContact O-N 3.25Å; D936-L938 VanDerWaalsContact C-N 3.26Å; D936-L938 PolarHBondContact O-N 3.2Å; D936-I939 PolarHBondContact O-N 2.83Å; D936-A940 VanDerWaalsContact O-CB 3.27Å; D936-A940 WeakPolarHBondContact O-CB 3.28Å; D936-A940 PolarHBondContact O-N 2.97Å; D936-R1197 IonicContact OD1-CZ 3.2Å; D936-R1197 IonicContact OD1-NE 2.71Å; D936-R1197 IonicContact OD1-NH2 3.59Å; D936-R1197 PolarHBondContact OD1-NH2 3.35Å; D936-R1197 IonicContact OD2-CZ 3.59Å; D936-R1197 IonicContact OD2-NH2 3.42Å; D936-R1197 PolarHBondContact OD2-NH2 3.4Å |
| 937 | S | 77.7 | Confident | 71.6 | Confident | 14 Ų | 14 | 41 Ų | 41 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -24.8 | 177.1 | -67.2 | 0 | 0 | 0 | 0 | 114.3 | R932 V935 G941 Q1006 D1009 | R932-S937 PolarHBondContact NH1-OG 2.95Å; V935-S937 VanDerWaalsContact C-N 3.26Å; V935-S937 PolarHBondContact O-N 3.05Å; S937-G941 VanDerWaalsContact O-CA 3.22Å; S937-G941 WeakPolarHBondContact O-CA 3.37Å; S937-G941 PolarHBondContact O-N 3.09Å; S937-Q1006 VanDerWaalsContact O-CG 3.23Å; S937-Q1006 WeakPolarHBondContact O-CG 3.23Å; S937-Q1006 PolarHBondContact O-NE2 2.69Å; S937-D1009 WeakPolarHBondContact CB-OD2 3.49Å; S937-D1009 PolarHBondContact OG-OD2 3.41Å |
| 938 | L | 81.5 | Confident | 71.1 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -82.8 | -29 | 178 | -53.5 | -169 | 0 | 0 | 0 | 112.6 | V935 D936 T949 T952 L982 A985 Q1006 A1010 L1013 | V935-L938 PolarHBondContact O-N 3.26Å; D936-L938 VanDerWaalsContact C-N 3.26Å; D936-L938 PolarHBondContact O-N 3.2Å; L938-T949 WeakPolarHBondContact O-CA 3.3Å; L938-T952 HydrophobicContact CB-CG2 3.98Å; L938-L982 HydrophobicContact CD1-CD2 3.96Å; L938-A985 HydrophobicContact CD1-CB 4.27Å; L938-A985 HydrophobicContact CD2-CB 4.36Å; L938-Q1006 HydrophobicContact CD2-CB 4.12Å; L938-Q1006 HydrophobicContact CD2-CG 4.18Å; L938-A1010 HydrophobicContact CD1-CB 4.14Å; L938-A1010 HydrophobicContact CD2-CB 4.02Å; L938-L1013 HydrophobicContact CD1-CD1 3.65Å; L938-L1013 HydrophobicContact CG-CD1 4.43Å |
| 939 | I | 77.7 | Confident | 71 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 8% | 0.077 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -101.9 | -20 | -177.9 | 68.8 | 179.6 | 0 | 0 | 0 | 114.1 | V935 D936 A953 L956 L1290 | V935-I939 HydrophobicContact CG1-CG2 4.15Å; V935-I939 PolarHBondContact O-N 3.11Å; V935-I939 VanDerWaalsContact O-N 3.15Å; D936-I939 PolarHBondContact O-N 2.83Å; I939-A953 HydrophobicContact CB-CB 4.01Å; I939-A953 HydrophobicContact CG2-CB 3.98Å; I939-L956 HydrophobicContact CG2-CD1 3.96Å; I939-L1290 HydrophobicContact CD1-CD1 4.17Å |
| 940 | A | 66.8 | Low | 70.9 | Confident | 8 Ų | 8 | 32.7 Ų | 32.7 | 7% | 0.066 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -124.2 | -2.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | D936 G943 R1195 | D936-A940 VanDerWaalsContact O-CB 3.27Å; D936-A940 WeakPolarHBondContact O-CB 3.28Å; D936-A940 PolarHBondContact O-N 2.97Å; A940-G943 PolarHBondContact O-N 2.83Å; A940-G943 VanDerWaalsContact O-N 3.11Å; A940-R1195 HydrophobicContact CB-CB 3.49Å; A940-R1195 VanDerWaalsContact CB-CB 3.49Å; A940-R1195 HydrophobicContact CB-CG 4.45Å |
| 941 | G | 64.2 | Low | 71.2 | Confident | 9 Ų | 9 | 27.4 Ų | 27.4 | 9% | 0.093 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | -142.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S937 | S937-G941 VanDerWaalsContact O-CA 3.22Å; S937-G941 WeakPolarHBondContact O-CA 3.37Å; S937-G941 PolarHBondContact O-N 3.09Å |
| 942 | D | 56.2 | Low | 71.7 | Confident | 27 Ų | 27 | 25 Ų | 25 | 14% | 0.144 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -4.4 | 167.6 | 66.7 | -30 | 0 | 0 | 0 | 113.1 | T944 R1196 L1255 F1256 | D942-T944 WeakPolarHBondContact OD1-CB 3.4Å; D942-T944 PolarHBondContact OD1-N 2.9Å; D942-T944 PolarHBondContact OD1-OG1 2.86Å; D942-R1196 PolarHBondContact O-NH1 3.48Å; D942-L1255 VanDerWaalsContact OD2-CA 3.28Å; D942-L1255 WeakPolarHBondContact OD2-CA 3.21Å; D942-L1255 WeakPolarHBondContact OD2-CB 3.5Å; D942-L1255 WeakPolarHBondContact OD2-CD2 3.37Å; D942-F1256 HydrophobicContact CB-CB 4.45Å; D942-F1256 WeakPolarHBondContact CB-O 3.42Å; D942-F1256 PolarHBondContact OD2-N 3.41Å |
| 943 | G | 52.5 | Low | 71.9 | Confident | 4 Ų | 4 | 22.6 Ų | 22.6 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 117.5 | 4.9 | -158.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A940 S1193 | A940-G943 PolarHBondContact O-N 2.83Å; A940-G943 VanDerWaalsContact O-N 3.11Å; G943-S1193 WeakPolarHBondContact O-CA 3.32Å; G943-S1193 WeakPolarHBondContact O-CB 3.45Å; G943-S1193 PolarHBondContact O-N 3.39Å |
| 944 | T | 52.4 | Low | 71.8 | Confident | 46 Ų | 46 | 23 Ų | 23 | 28% | 0.282 | 13% | 0.133 | S | C | . | . | trans | -114.9 | 133.5 | 166.6 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | D942 S946 Q1254 L1255 | D942-T944 WeakPolarHBondContact OD1-CB 3.4Å; D942-T944 PolarHBondContact OD1-N 2.9Å; D942-T944 PolarHBondContact OD1-OG1 2.86Å; T944-S946 PolarHBondContact O-N 3.46Å; T944-Q1254 WeakPolarHBondContact CG2-O 3.47Å; T944-L1255 HydrophobicContact CG2-CD2 4.24Å | ||
| 945 | E | 56.5 | Low | 71.7 | Confident | 108 Ų | 108 | 23.8 Ų | 23.8 | 51% | 0.505 | 14% | 0.136 | S | C | . | . | trans | -80.7 | 115.5 | 171.5 | -73.2 | -168.7 | 144.7 | 0 | 0 | 109.3 | R1195 | E945-R1195 IonicContact OE1-CZ 3.82Å; E945-R1195 IonicContact OE1-NE 3.83Å; E945-R1195 PolarHBondContact OE1-NE 2.69Å; E945-R1195 IonicContact OE1-NH2 2.64Å; E945-R1195 PolarHBondContact OE1-NH2 3.38Å | ||
| 946 | S | 65.9 | Low | 71.6 | Confident | 29 Ų | 29 | 23.5 Ų | 23.5 | 20% | 0.203 | 13% | 0.134 | C | C | . | . | trans | -107.7 | 163.5 | 173.2 | 83.3 | 0 | 0 | 0 | 0 | 111 | T944 L948 T949 S950 | T944-S946 PolarHBondContact O-N 3.46Å; S946-L948 PolarHBondContact O-N 2.84Å; S946-L948 PolarHBondContact OG-N 3.45Å; S946-T949 PolarHBondContact N-OG1 3.38Å; S946-T949 PolarHBondContact O-N 2.95Å; S946-T949 VanDerWaalsContact O-N 3.11Å; S946-T949 PolarHBondContact O-OG1 3.29Å; S946-T949 PolarHBondContact OG-N 3.44Å; S946-S950 PolarHBondContact O-N 2.99Å; S946-S950 PolarHBondContact O-OG 3.27Å | ||
| 947 | M | 69.1 | Low | 71.6 | Confident | 93 Ų | 93 | 21.9 Ų | 21.9 | 46% | 0.458 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -55.2 | -37.6 | 174.6 | -173 | 175.1 | 175.7 | 0 | 0 | 111.7 | V951 V997 P1000 | M947-V951 WeakPolarHBondContact O-CB 3.14Å; M947-V951 VanDerWaalsContact O-CG2 3.27Å; M947-V951 WeakPolarHBondContact O-CG2 3.31Å; M947-V951 PolarHBondContact O-N 2.71Å; M947-V997 HydrophobicContact SD-CG1 4.22Å; M947-P1000 HydrophobicContact CB-CG 4.07Å |
| 948 | L | 74.8 | Confident | 71.6 | Confident | 8 Ų | 8 | 21.9 Ų | 21.9 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.6 | -38.3 | 177.5 | -176.7 | 62.6 | 0 | 0 | 0 | 112.7 | S946 T952 P1000 P1002 | S946-L948 PolarHBondContact O-N 2.84Å; S946-L948 PolarHBondContact OG-N 3.45Å; L948-T952 VanDerWaalsContact O-CB 3.3Å; L948-T952 WeakPolarHBondContact O-CB 3.5Å; L948-T952 PolarHBondContact O-N 3.34Å; L948-T952 PolarHBondContact O-OG1 2.95Å; L948-P1000 HydrophobicContact CB-CG 4.03Å; L948-P1002 HydrophobicContact CD2-CB 3.79Å; L948-P1002 HydrophobicContact CD2-CG 4.31Å |
| 949 | T | 77 | Confident | 71.7 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.9 | -40.4 | 176.1 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | L938 S946 T952 A953 | L938-T949 WeakPolarHBondContact O-CA 3.3Å; S946-T949 PolarHBondContact N-OG1 3.38Å; S946-T949 PolarHBondContact O-N 2.95Å; S946-T949 VanDerWaalsContact O-N 3.11Å; S946-T949 PolarHBondContact O-OG1 3.29Å; S946-T949 PolarHBondContact OG-N 3.44Å; T949-T952 PolarHBondContact O-N 3.21Å; T949-A953 WeakPolarHBondContact O-CB 3.47Å; T949-A953 PolarHBondContact O-N 3.06Å |
| 950 | S | 73.1 | Confident | 72 | Confident | 32 Ų | 32 | 24.3 Ų | 24.3 | 22% | 0.224 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68 | -40.7 | 179.5 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | S946 A953 A954 | S946-S950 PolarHBondContact O-N 2.99Å; S946-S950 PolarHBondContact O-OG 3.27Å; S950-A953 PolarHBondContact O-N 3.48Å; S950-A954 PolarHBondContact O-N 3.31Å |
| 951 | V | 75.3 | Confident | 72.6 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62 | -49 | 170.9 | 167.8 | 0 | 0 | 0 | 0 | 110.3 | M947 A953 A954 R955 F1302 M1305 | M947-V951 WeakPolarHBondContact O-CB 3.14Å; M947-V951 VanDerWaalsContact O-CG2 3.27Å; M947-V951 WeakPolarHBondContact O-CG2 3.31Å; M947-V951 PolarHBondContact O-N 2.71Å; V951-A953 VanDerWaalsContact C-N 3.3Å; V951-A953 PolarHBondContact O-N 2.8Å; V951-A954 WeakPolarHBondContact O-CB 3.29Å; V951-A954 PolarHBondContact O-N 3.34Å; V951-R955 HydrophobicContact CG1-CG 4.06Å; V951-R955 VanDerWaalsContact CG1-NH1 3.29Å; V951-R955 WeakPolarHBondContact O-CB 3.35Å; V951-R955 WeakPolarHBondContact O-CG 3.27Å; V951-R955 PolarHBondContact O-N 3.48Å; V951-F1302 HydrophobicContact CG2-CE1 3.88Å; V951-F1302 HydrophobicContact CG2-CZ 4.47Å; V951-M1305 HydrophobicContact CG1-CE 4.06Å; V951-M1305 HydrophobicContact CG1-SD 4.12Å; V951-M1305 HydrophobicContact CG2-CE 4.2Å |
| 952 | T | 82.4 | Confident | 73.3 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.9 | -32.6 | 180 | -59.3 | 0 | 0 | 0 | 0 | 112.9 | L938 L948 T949 R955 L956 I981 A985 | L938-T952 HydrophobicContact CB-CG2 3.98Å; L948-T952 VanDerWaalsContact O-CB 3.3Å; L948-T952 WeakPolarHBondContact O-CB 3.5Å; L948-T952 PolarHBondContact O-N 3.34Å; L948-T952 PolarHBondContact O-OG1 2.95Å; T949-T952 PolarHBondContact O-N 3.21Å; T952-R955 WeakPolarHBondContact O-CB 3.39Å; T952-R955 PolarHBondContact O-N 2.99Å; T952-L956 HydrophobicContact CG2-CD1 4.37Å; T952-L956 WeakPolarHBondContact O-CG 3.35Å; T952-L956 PolarHBondContact O-N 2.79Å; T952-I981 HydrophobicContact CG2-CG2 4.19Å; T952-A985 HydrophobicContact CG2-CB 4.44Å |
| 953 | A | 80.6 | Confident | 74.7 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.6 | -46.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I939 T949 S950 V951 R955 L956 A957 V1297 | I939-A953 HydrophobicContact CB-CB 4.01Å; I939-A953 HydrophobicContact CG2-CB 3.98Å; T949-A953 WeakPolarHBondContact O-CB 3.47Å; T949-A953 PolarHBondContact O-N 3.06Å; S950-A953 PolarHBondContact O-N 3.48Å; V951-A953 VanDerWaalsContact C-N 3.3Å; V951-A953 PolarHBondContact O-N 2.8Å; A953-R955 VanDerWaalsContact C-N 3.28Å; A953-R955 PolarHBondContact O-N 3.13Å; A953-L956 PolarHBondContact O-N 3.17Å; A953-A957 WeakPolarHBondContact O-CB 3.41Å; A953-A957 PolarHBondContact O-N 3.47Å; A953-V1297 HydrophobicContact CB-CG2 4.41Å |
| 954 | A | 75.3 | Confident | 76.1 | Confident | 23 Ų | 23 | 32.7 Ų | 32.7 | 19% | 0.19 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.1 | -40.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S950 V951 A957 A958 V1297 | S950-A954 PolarHBondContact O-N 3.31Å; V951-A954 WeakPolarHBondContact O-CB 3.29Å; V951-A954 PolarHBondContact O-N 3.34Å; A954-A957 WeakPolarHBondContact O-CB 3.31Å; A954-A957 PolarHBondContact O-N 2.98Å; A954-A958 PolarHBondContact O-N 3.21Å; A954-V1297 HydrophobicContact CB-CG1 4.02Å |
| 955 | R | 81.6 | Confident | 77.4 | Confident | 19 Ų | 19 | 36.1 Ų | 36.1 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60 | -49.1 | 177.8 | -67.8 | -119.3 | 170.9 | 93.7 | -1.9 | 111.9 | V951 T952 A953 A958 L959 I981 R984 E989 M1305 Y1307 | V951-R955 HydrophobicContact CG1-CG 4.06Å; V951-R955 VanDerWaalsContact CG1-NH1 3.29Å; V951-R955 WeakPolarHBondContact O-CB 3.35Å; V951-R955 WeakPolarHBondContact O-CG 3.27Å; V951-R955 PolarHBondContact O-N 3.48Å; T952-R955 WeakPolarHBondContact O-CB 3.39Å; T952-R955 PolarHBondContact O-N 2.99Å; A953-R955 VanDerWaalsContact C-N 3.28Å; A953-R955 PolarHBondContact O-N 3.13Å; R955-A958 PolarHBondContact O-N 2.98Å; R955-L959 PolarHBondContact O-N 2.82Å; R955-I981 HydrophobicContact CB-CD1 4.19Å; R955-I981 HydrophobicContact CB-CG1 4.11Å; R955-I981 HydrophobicContact CB-CG2 4.37Å; R955-R984 VanDerWaalsContact NH1-CD 3.27Å; R955-E989 IonicContact CZ-OE1 3.01Å; R955-E989 VanDerWaalsContact CZ-OE1 3.3Å; R955-E989 IonicContact CZ-OE2 3.67Å; R955-E989 IonicContact NH1-OE1 2.65Å; R955-E989 PolarHBondContact NH1-OE1 2.88Å; R955-E989 IonicContact NH1-OE2 2.69Å; R955-E989 VanDerWaalsContact NH2-CD 3.27Å; R955-E989 IonicContact NH2-OE1 2.7Å; R955-E989 PolarHBondContact NH2-OE1 3.24Å; R955-E989 IonicContact NH2-OE2 3.81Å; R955-E989 PolarHBondContact NH2-OE2 3.31Å; R955-M1305 PolarHBondContact NH2-SD 3.02Å; R955-Y1307 WeakPolarHBondContact CA-OH 3.41Å; R955-Y1307 HydrophobicContact CB-CE2 3.95Å; R955-Y1307 WeakPolarHBondContact CB-OH 3.46Å; R955-Y1307 WeakPolarHBondContact CD-OH 3.47Å; R955-Y1307 HydrophobicContact CG-CE2 3.86Å; R955-Y1307 PolarHBondContact O-OH 2.91Å |
| 956 | L | 84.8 | Confident | 78.5 | Confident | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.9 | -32.6 | 176.2 | -68.7 | 169.7 | 0 | 0 | 0 | 112.7 | L924 V935 I939 T952 A953 L959 H960 W978 I981 | L924-L956 HydrophobicContact CD2-CD2 4.43Å; V935-L956 HydrophobicContact CG1-CD1 3.69Å; I939-L956 HydrophobicContact CG2-CD1 3.96Å; T952-L956 HydrophobicContact CG2-CD1 4.37Å; T952-L956 WeakPolarHBondContact O-CG 3.35Å; T952-L956 PolarHBondContact O-N 2.79Å; A953-L956 PolarHBondContact O-N 3.17Å; L956-L959 PolarHBondContact O-N 3.48Å; L956-H960 WeakPolarHBondContact O-CB 3.39Å; L956-H960 PolarHBondContact O-N 3.19Å; L956-W978 HydrophobicContact CD2-CE3 4.46Å; L956-W978 HydrophobicContact CD2-CH2 3.6Å; L956-W978 HydrophobicContact CD2-CZ2 3.8Å; L956-W978 HydrophobicContact CD2-CZ3 3.94Å; L956-I981 HydrophobicContact CD2-CD1 4.08Å; L956-I981 HydrophobicContact CD2-CG2 4.17Å; L956-I981 HydrophobicContact CG-CG2 4.31Å |
| 957 | A | 77.8 | Confident | 79.3 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 7% | 0.066 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | A953 A954 R961 L1294 | A953-A957 WeakPolarHBondContact O-CB 3.41Å; A953-A957 PolarHBondContact O-N 3.47Å; A954-A957 WeakPolarHBondContact O-CB 3.31Å; A954-A957 PolarHBondContact O-N 2.98Å; A957-R961 PolarHBondContact O-N 2.88Å; A957-L1294 HydrophobicContact CB-CB 3.91Å; A957-L1294 HydrophobicContact CB-CD1 4.39Å; A957-L1294 HydrophobicContact CB-CD2 3.98Å; A957-L1294 HydrophobicContact CB-CG 4.3Å |
| 958 | A | 77.2 | Confident | 80 | Confident | 14 Ų | 14 | 29.1 Ų | 29.1 | 12% | 0.116 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A954 R955 H960 R961 A962 Y1307 | A954-A958 PolarHBondContact O-N 3.21Å; R955-A958 PolarHBondContact O-N 2.98Å; A958-H960 PolarHBondContact O-N 3.41Å; A958-R961 PolarHBondContact O-N 2.99Å; A958-A962 PolarHBondContact O-N 3.26Å; A958-A962 VanDerWaalsContact O-N 3.08Å; A958-Y1307 HydrophobicContact CB-CD1 3.94Å; A958-Y1307 HydrophobicContact CB-CD2 3.76Å; A958-Y1307 HydrophobicContact CB-CE1 4.23Å; A958-Y1307 HydrophobicContact CB-CE2 4.1Å; A958-Y1307 HydrophobicContact CB-CG 3.69Å |
| 959 | L | 83.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -43.2 | 177.8 | -172.1 | 62 | 0 | 0 | 0 | 112.3 | R955 L956 R961 A962 V963 Y968 L974 D977 W978 I981 | R955-L959 PolarHBondContact O-N 2.82Å; L956-L959 PolarHBondContact O-N 3.48Å; L959-R961 PolarHBondContact O-N 3.08Å; L959-A962 PolarHBondContact O-N 3.32Å; L959-V963 WeakPolarHBondContact O-CB 3.4Å; L959-V963 VanDerWaalsContact O-CG2 3.31Å; L959-V963 WeakPolarHBondContact O-CG2 3.35Å; L959-V963 PolarHBondContact O-N 2.89Å; L959-Y968 HydrophobicContact CD1-CE2 3.9Å; L959-Y968 WeakPolarHBondContact CD1-OH 3.48Å; L959-L974 HydrophobicContact CD1-CD1 3.85Å; L959-D977 HydrophobicContact CD1-CB 4.01Å; L959-W978 HydrophobicContact CD2-CB 4.5Å; L959-W978 HydrophobicContact CD2-CD2 4.31Å; L959-W978 HydrophobicContact CD2-CG 3.9Å; L959-I981 HydrophobicContact CB-CD1 4.31Å; L959-I981 HydrophobicContact CD2-CD1 3.72Å |
| 960 | H | 85.7 | Confident | 80.9 | Confident | 71 Ų | 71 | 34.4 Ų | 34.4 | 33% | 0.329 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 177.7 | 179 | -93.1 | 0 | 0 | 0 | 112.4 | H920 L956 A958 V963 A964 | H920-H960 AromaticContact CD2-CD2 3.98Å; H920-H960 WeakPolarHBondContact NE2-CA 3.49Å; H920-H960 AromaticContact NE2-CD2 3.51Å; H920-H960 AromaticContact NE2-CG 3.92Å; L956-H960 WeakPolarHBondContact O-CB 3.39Å; L956-H960 PolarHBondContact O-N 3.19Å; A958-H960 PolarHBondContact O-N 3.41Å; H960-V963 PolarHBondContact O-N 3.02Å; H960-A964 WeakPolarHBondContact O-CB 3.16Å; H960-A964 PolarHBondContact O-N 2.99Å |
| 961 | R | 77.5 | Confident | 81.7 | Confident | 131 Ų | 131 | 32.9 Ų | 32.9 | 49% | 0.494 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62 | -50.6 | 175.5 | -79.3 | -175.6 | -82.7 | 101.4 | -6.3 | 111.9 | A957 A958 L959 V963 A964 E965 | A957-R961 PolarHBondContact O-N 2.88Å; A958-R961 PolarHBondContact O-N 2.99Å; L959-R961 PolarHBondContact O-N 3.08Å; R961-V963 VanDerWaalsContact C-N 3.27Å; R961-V963 PolarHBondContact O-N 2.98Å; R961-A964 PolarHBondContact O-N 3.45Å; R961-E965 WeakPolarHBondContact O-CB 3.47Å; R961-E965 WeakPolarHBondContact O-CG 3.21Å; R961-E965 PolarHBondContact O-N 3.5Å |
| 962 | A | 80.8 | Confident | 82.3 | Confident | 21 Ų | 21 | 33.8 Ų | 33.8 | 17% | 0.174 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -30.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A958 L959 G966 S967 Y968 | A958-A962 PolarHBondContact O-N 3.26Å; A958-A962 VanDerWaalsContact O-N 3.08Å; L959-A962 PolarHBondContact O-N 3.32Å; A962-G966 WeakPolarHBondContact O-CA 3.38Å; A962-G966 PolarHBondContact O-N 3.49Å; A962-S967 PolarHBondContact O-N 3.3Å; A962-Y968 HydrophobicContact CB-CD2 4.39Å; A962-Y968 HydrophobicContact CB-CE2 3.71Å |
| 963 | V | 84.8 | Confident | 82.4 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -75.8 | -32 | 172.5 | 170.9 | 0 | 0 | 0 | 0 | 112.8 | H920 L959 H960 R961 G966 Y968 L974 | H920-V963 HydrophobicContact CB-CG1 3.94Å; H920-V963 HydrophobicContact CB-CG2 4.45Å; L959-V963 WeakPolarHBondContact O-CB 3.4Å; L959-V963 VanDerWaalsContact O-CG2 3.31Å; L959-V963 WeakPolarHBondContact O-CG2 3.35Å; L959-V963 PolarHBondContact O-N 2.89Å; H960-V963 PolarHBondContact O-N 3.02Å; R961-V963 VanDerWaalsContact C-N 3.27Å; R961-V963 PolarHBondContact O-N 2.98Å; V963-G966 WeakPolarHBondContact O-CA 3.44Å; V963-G966 PolarHBondContact O-N 2.9Å; V963-Y968 HydrophobicContact CG2-CD2 3.71Å; V963-Y968 HydrophobicContact CG2-CE2 3.87Å; V963-L974 HydrophobicContact CG2-CD1 3.58Å |
| 964 | A | 80.9 | Confident | 82.9 | Confident | 66 Ų | 66 | 34.7 Ų | 34.7 | 55% | 0.545 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -75.2 | -44.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | H960 R961 G966 | H960-A964 WeakPolarHBondContact O-CB 3.16Å; H960-A964 PolarHBondContact O-N 2.99Å; R961-A964 PolarHBondContact O-N 3.45Å; A964-G966 PolarHBondContact O-N 3.11Å |
| 965 | E | 80.1 | Confident | 83.7 | Confident | 119 Ų | 119 | 34.2 Ų | 34.2 | 56% | 0.556 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -57.4 | -32.4 | 164.7 | -67.8 | 155.5 | -152.9 | 0 | 0 | 110.5 | R913 R961 | R913-E965 VanDerWaalsContact CZ-O 3.22Å; R913-E965 PolarHBondContact NH1-O 3.2Å; R913-E965 PolarHBondContact NH2-O 3.18Å; R961-E965 WeakPolarHBondContact O-CB 3.47Å; R961-E965 WeakPolarHBondContact O-CG 3.21Å; R961-E965 PolarHBondContact O-N 3.5Å |
| 966 | G | 80.4 | Confident | 83.9 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 42 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R913 A962 V963 A964 Y968 H969 | R913-G966 VanDerWaalsContact CZ-CA 3.48Å; R913-G966 VanDerWaalsContact NH2-C 3.34Å; R913-G966 PolarHBondContact NH2-O 3.21Å; A962-G966 WeakPolarHBondContact O-CA 3.38Å; A962-G966 PolarHBondContact O-N 3.49Å; V963-G966 WeakPolarHBondContact O-CA 3.44Å; V963-G966 PolarHBondContact O-N 2.9Å; A964-G966 PolarHBondContact O-N 3.11Å; G966-Y968 PolarHBondContact O-N 2.87Å; G966-H969 PolarHBondContact O-CE1 2.94Å |
| 967 | S | 81.8 | Confident | 84.1 | Confident | 63 Ų | 63 | 35.5 Ų | 35.5 | 44% | 0.441 | 19% | 0.194 | S | C | . | . | trans | -70.7 | -9 | 175.4 | -47.3 | 0 | 0 | 0 | 0 | 112.6 | A962 | A962-S967 PolarHBondContact O-N 3.3Š| ||
| 968 | Y | 84.8 | Confident | 84.7 | Confident | 16 Ų | 16 | 35.1 Ų | 35.1 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | trans | -87.3 | 117.4 | 170.8 | -68.4 | -85.5 | 0 | 0 | 0 | 111 | L916 L959 A962 V963 G966 L974 D977 | L916-Y968 WeakPolarHBondContact CD1-O 3.14Å; L959-Y968 HydrophobicContact CD1-CE2 3.9Å; L959-Y968 WeakPolarHBondContact CD1-OH 3.48Å; A962-Y968 HydrophobicContact CB-CD2 4.39Å; A962-Y968 HydrophobicContact CB-CE2 3.71Å; V963-Y968 HydrophobicContact CG2-CD2 3.71Å; V963-Y968 HydrophobicContact CG2-CE2 3.87Å; G966-Y968 PolarHBondContact O-N 2.87Å; Y968-L974 HydrophobicContact CD1-CB 3.84Å; Y968-L974 HydrophobicContact CD1-CD1 4.13Å; Y968-L974 HydrophobicContact CD2-CD1 4.02Å; Y968-L974 HydrophobicContact CE1-CB 4.25Å; Y968-L974 HydrophobicContact CE1-CD1 4.1Å; Y968-L974 HydrophobicContact CE2-CD1 3.97Å; Y968-L974 HydrophobicContact CG-CB 4.25Å; Y968-L974 HydrophobicContact CG-CD1 4.1Å; Y968-D977 VanDerWaalsContact CE1-OD2 3.27Å; Y968-D977 WeakPolarHBondContact CE1-OD2 3.39Å; Y968-D977 PolarHBondContact OH-OD2 3.12Å | ||
| 969 | H | 84.2 | Confident | 85.5 | Confident | 109 Ų | 109 | 35.7 Ų | 35.7 | 51% | 0.505 | 19% | 0.191 | S | C | . | . | trans | -107.6 | 4.4 | 174 | -56.8 | -49.6 | 0 | 0 | 0 | 113.3 | L912 G966 T1434 | L912-H969 WeakPolarHBondContact CD2-O 3.35Å; G966-H969 PolarHBondContact O-CE1 2.94Å; H969-T1434 PolarHBondContact O-OG1 3.04Å | ||
| 970 | R | 86.4 | Confident | 85.7 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 4% | 0.038 | 21% | 0.207 | C | C | . | . | trans | -141.1 | 152.7 | 177.7 | -72 | 169 | 65.7 | 132.5 | 7.3 | 112.4 | D972 E1435 E1474 E1476 | R970-D972 VanDerWaalsContact CB-OD1 3.23Å; R970-D972 WeakPolarHBondContact CB-OD1 3.29Å; R970-D972 IonicContact CZ-OD1 2.74Å; R970-D972 IonicContact CZ-OD2 2.7Å; R970-D972 IonicContact NE-OD1 2.73Å; R970-D972 PolarHBondContact NE-OD1 3.3Å; R970-D972 IonicContact NE-OD2 2.74Å; R970-D972 PolarHBondContact NE-OD2 3.18Å; R970-D972 IonicContact NH2-OD1 3.21Å; R970-D972 IonicContact NH2-OD2 3.8Å; R970-D972 PolarHBondContact NH2-OD2 3.45Å; R970-E1435 WeakPolarHBondContact CD-OE1 3.41Å; R970-E1435 HydrophobicContact CG-CG 4.34Å; R970-E1435 IonicContact CZ-OE1 3.94Å; R970-E1435 IonicContact NE-OE1 3.23Å; R970-E1435 IonicContact NH1-OE1 2.72Å; R970-E1435 PolarHBondContact NH1-OE1 3.26Å; R970-E1474 PolarHBondContact NH1-O 3.14Å; R970-E1474 VanDerWaalsContact NH1-O 3.13Å; R970-E1474 PolarHBondContact NH2-O 2.79Å; R970-E1476 WeakPolarHBondContact CA-OE1 3.34Å; R970-E1476 HydrophobicContact CG-CB 4.17Å | ||
| 971 | L | 90.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -79 | -35.3 | 176 | 174.1 | 63.6 | 0 | 0 | 0 | 112.8 | L916 L919 L974 Q975 W1017 R1021 L1052 A1056 E1476 | L916-L971 HydrophobicContact CD2-CB 4.01Å; L916-L971 HydrophobicContact CD2-CD1 3.83Å; L919-L971 HydrophobicContact CD2-CD1 3.56Å; L971-L974 PolarHBondContact O-N 3.39Å; L971-Q975 VanDerWaalsContact O-CB 3.31Å; L971-Q975 WeakPolarHBondContact O-CB 3.2Å; L971-Q975 PolarHBondContact O-N 3.08Å; L971-W1017 HydrophobicContact CD1-CZ2 4.4Å; L971-R1021 HydrophobicContact CD1-CG 4.34Å; L971-R1021 HydrophobicContact CD2-CG 3.85Å; L971-R1021 HydrophobicContact CG-CG 4.48Å; L971-L1052 HydrophobicContact CB-CD2 3.68Å; L971-L1052 HydrophobicContact CD2-CD2 3.76Å; L971-L1052 HydrophobicContact CG-CD2 4.37Å; L971-A1056 HydrophobicContact CB-CB 4.49Å; L971-A1056 HydrophobicContact CD2-CB 4.09Å; L971-A1056 HydrophobicContact CG-CB 3.87Å; L971-E1476 PolarHBondContact N-OE1 2.99Å; L971-E1476 PolarHBondContact N-OE2 3.39Å |
| 972 | D | 86.7 | Confident | 86.5 | Confident | 21 Ų | 21 | 27.8 Ų | 27.8 | 11% | 0.112 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 179 | 53.9 | 19.1 | 0 | 0 | 0 | 112.9 | R970 Q975 S976 A1056 | R970-D972 VanDerWaalsContact CB-OD1 3.23Å; R970-D972 WeakPolarHBondContact CB-OD1 3.29Å; R970-D972 IonicContact CZ-OD1 2.74Å; R970-D972 IonicContact CZ-OD2 2.7Å; R970-D972 IonicContact NE-OD1 2.73Å; R970-D972 PolarHBondContact NE-OD1 3.3Å; R970-D972 IonicContact NE-OD2 2.74Å; R970-D972 PolarHBondContact NE-OD2 3.18Å; R970-D972 IonicContact NH2-OD1 3.21Å; R970-D972 IonicContact NH2-OD2 3.8Å; R970-D972 PolarHBondContact NH2-OD2 3.45Å; D972-Q975 WeakPolarHBondContact O-CB 3.25Å; D972-Q975 PolarHBondContact O-N 2.99Å; D972-S976 PolarHBondContact O-N 3.29Å; D972-A1056 HydrophobicContact CB-CB 4.03Å |
| 973 | S | 85 | Confident | 86.9 | Confident | 25 Ų | 25 | 27.8 Ų | 27.8 | 18% | 0.175 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.3 | -48.7 | 175.3 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | Q975 S976 D977 | S973-Q975 VanDerWaalsContact C-N 3.32Å; S973-Q975 PolarHBondContact O-N 3.42Å; S973-S976 WeakPolarHBondContact O-CB 3.43Å; S973-S976 PolarHBondContact O-N 2.63Å; S973-D977 PolarHBondContact O-N 3.3Å |
| 974 | L | 90.8 | Very high | 87 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.4 | -35.1 | 177.5 | -175.4 | 64.3 | 0 | 0 | 0 | 112.3 | L916 L959 V963 Y968 L971 W978 W1017 | L916-L974 HydrophobicContact CB-CD2 3.88Å; L916-L974 HydrophobicContact CD2-CB 4.42Å; L916-L974 HydrophobicContact CD2-CD2 3.8Å; L916-L974 HydrophobicContact CG-CD2 4.35Å; L959-L974 HydrophobicContact CD1-CD1 3.85Å; V963-L974 HydrophobicContact CG2-CD1 3.58Å; Y968-L974 HydrophobicContact CD1-CB 3.84Å; Y968-L974 HydrophobicContact CD1-CD1 4.13Å; Y968-L974 HydrophobicContact CD2-CD1 4.02Å; Y968-L974 HydrophobicContact CE1-CB 4.25Å; Y968-L974 HydrophobicContact CE1-CD1 4.1Å; Y968-L974 HydrophobicContact CE2-CD1 3.97Å; Y968-L974 HydrophobicContact CG-CB 4.25Å; Y968-L974 HydrophobicContact CG-CD1 4.1Å; L971-L974 PolarHBondContact O-N 3.39Å; L974-W978 PolarHBondContact O-N 3.03Å; L974-W1017 HydrophobicContact CD2-CH2 3.97Å; L974-W1017 HydrophobicContact CG-CH2 3.87Å; L974-W1017 HydrophobicContact CG-CZ2 4.46Å |
| 975 | Q | 92.5 | Very high | 87.2 | Confident | 13 Ų | 13 | 30.1 Ų | 30.1 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.9 | -44.6 | 175.3 | 168.8 | 165.7 | -72.6 | 0 | 0 | 112.3 | L971 D972 S973 D977 W978 L979 W1017 A1056 | L971-Q975 VanDerWaalsContact O-CB 3.31Å; L971-Q975 WeakPolarHBondContact O-CB 3.2Å; L971-Q975 PolarHBondContact O-N 3.08Å; D972-Q975 WeakPolarHBondContact O-CB 3.25Å; D972-Q975 PolarHBondContact O-N 2.99Å; S973-Q975 VanDerWaalsContact C-N 3.32Å; S973-Q975 PolarHBondContact O-N 3.42Å; Q975-D977 VanDerWaalsContact C-N 3.27Å; Q975-D977 PolarHBondContact O-N 3.33Å; Q975-W978 PolarHBondContact O-N 3.18Å; Q975-L979 HydrophobicContact CG-CD1 3.58Å; Q975-L979 HydrophobicContact CG-CG 4.12Å; Q975-L979 VanDerWaalsContact O-CB 3.32Å; Q975-L979 WeakPolarHBondContact O-CB 3.12Å; Q975-L979 WeakPolarHBondContact O-CG 3.37Å; Q975-L979 PolarHBondContact O-N 2.81Å; Q975-W1017 HydrophobicContact CB-CZ2 3.93Å; Q975-W1017 VanDerWaalsContact OE1-NE1 3.1Å; Q975-A1056 PolarHBondContact NE2-O 2.94Å |
| 976 | S | 86.5 | Confident | 87.7 | Confident | 38 Ų | 38 | 25.2 Ų | 25.2 | 27% | 0.266 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -52 | -49.6 | 174.7 | 162.8 | 0 | 0 | 0 | 0 | 110.4 | D972 S973 G980 Q1311 | D972-S976 PolarHBondContact O-N 3.29Å; S973-S976 WeakPolarHBondContact O-CB 3.43Å; S973-S976 PolarHBondContact O-N 2.63Å; S976-G980 PolarHBondContact O-N 2.95Å; S976-Q1311 PolarHBondContact OG-NE2 3.26Å |
| 977 | D | 87.7 | Confident | 87.8 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 7% | 0.07 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72 | -42.3 | -174.5 | -61.6 | -17.1 | 0 | 0 | 0 | 112.1 | L959 Y968 S973 Q975 G980 I981 | L959-D977 HydrophobicContact CD1-CB 4.01Å; Y968-D977 VanDerWaalsContact CE1-OD2 3.27Å; Y968-D977 WeakPolarHBondContact CE1-OD2 3.39Å; Y968-D977 PolarHBondContact OH-OD2 3.12Å; S973-D977 PolarHBondContact O-N 3.3Å; Q975-D977 VanDerWaalsContact C-N 3.27Å; Q975-D977 PolarHBondContact O-N 3.33Å; D977-G980 PolarHBondContact O-N 3.06Å; D977-I981 VanDerWaalsContact O-CG1 3.25Å; D977-I981 WeakPolarHBondContact O-CG1 3.48Å; D977-I981 PolarHBondContact O-N 2.89Å |
| 978 | W | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.9 | -46.5 | 176.2 | -120.4 | 119.1 | 0 | 0 | 0 | 112 | H920 M923 L924 V935 L956 L959 L974 Q975 G980 I981 L982 W1017 | H920-W978 AromaticContact ND1-NE1 3.41Å; H920-W978 PolarHBondContact ND1-NE1 3.14Å; M923-W978 HydrophobicContact CB-CH2 4.31Å; M923-W978 HydrophobicContact CB-CZ2 3.63Å; M923-W978 HydrophobicContact CE-CD2 4.11Å; M923-W978 HydrophobicContact CE-CE3 3.92Å; M923-W978 HydrophobicContact CE-CH2 4Å; M923-W978 HydrophobicContact CE-CZ2 4.18Å; M923-W978 HydrophobicContact CE-CZ3 3.88Å; L924-W978 HydrophobicContact CD2-CZ2 4.21Å; V935-W978 HydrophobicContact CG2-CH2 4.26Å; L956-W978 HydrophobicContact CD2-CE3 4.46Å; L956-W978 HydrophobicContact CD2-CH2 3.6Å; L956-W978 HydrophobicContact CD2-CZ2 3.8Å; L956-W978 HydrophobicContact CD2-CZ3 3.94Å; L959-W978 HydrophobicContact CD2-CB 4.5Å; L959-W978 HydrophobicContact CD2-CD2 4.31Å; L959-W978 HydrophobicContact CD2-CG 3.9Å; L974-W978 PolarHBondContact O-N 3.03Å; Q975-W978 PolarHBondContact O-N 3.18Å; W978-G980 VanDerWaalsContact C-N 3.34Å; W978-G980 PolarHBondContact O-N 3.36Å; W978-I981 PolarHBondContact O-N 3.29Å; W978-L982 HydrophobicContact CE3-CD1 3.61Å; W978-L982 HydrophobicContact CE3-CD2 4.3Å; W978-L982 HydrophobicContact CE3-CG 3.72Å; W978-L982 HydrophobicContact CZ3-CD1 3.89Å; W978-L982 HydrophobicContact CZ3-CD2 3.85Å; W978-L982 HydrophobicContact CZ3-CG 3.8Å; W978-L982 WeakPolarHBondContact O-CG 3.42Å; W978-L982 PolarHBondContact O-N 2.97Å; W978-L982 VanDerWaalsContact O-N 3.1Å; W978-W1017 HydrophobicContact CB-CD2 4.27Å; W978-W1017 HydrophobicContact CB-CE3 3.92Å; W978-W1017 HydrophobicContact CB-CH2 4.2Å; W978-W1017 HydrophobicContact CB-CZ2 4.49Å; W978-W1017 HydrophobicContact CB-CZ3 3.91Å; W978-W1017 AromaticContact CD1-CE3 3.79Å; W978-W1017 AromaticContact CD1-CH2 3.77Å; W978-W1017 AromaticContact CD1-CZ3 3.16Å; W978-W1017 HydrophobicContact CD2-CE3 4.32Å; W978-W1017 HydrophobicContact CD2-CZ3 4.4Å; W978-W1017 AromaticContact CG-CE3 3.75Å; W978-W1017 HydrophobicContact CG-CE3 3.75Å; W978-W1017 HydrophobicContact CG-CH2 4.23Å; W978-W1017 AromaticContact CG-CZ3 3.57Å; W978-W1017 HydrophobicContact CG-CZ3 3.57Å; W978-W1017 AromaticContact NE1-CZ3 3.78Å |
| 979 | L | 92.6 | Very high | 86.6 | Confident | 25 Ų | 25 | 25.9 Ų | 25.9 | 13% | 0.131 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.4 | -34.9 | 178 | -66.5 | 179.7 | 0 | 0 | 0 | 111.9 | Q975 L982 A983 A1014 W1017 Y1059 | Q975-L979 HydrophobicContact CG-CD1 3.58Å; Q975-L979 HydrophobicContact CG-CG 4.12Å; Q975-L979 VanDerWaalsContact O-CB 3.32Å; Q975-L979 WeakPolarHBondContact O-CB 3.12Å; Q975-L979 WeakPolarHBondContact O-CG 3.37Å; Q975-L979 PolarHBondContact O-N 2.81Å; L979-L982 PolarHBondContact O-N 2.63Å; L979-A983 WeakPolarHBondContact O-CB 3.46Å; L979-A983 PolarHBondContact O-N 3.3Å; L979-A1014 HydrophobicContact CD2-CB 4.06Å; L979-W1017 HydrophobicContact CD2-CB 4.46Å; L979-W1017 HydrophobicContact CD2-CG 4.33Å; L979-Y1059 HydrophobicContact CD1-CD1 3.84Å; L979-Y1059 HydrophobicContact CD1-CE1 3.61Å |
| 980 | G | 87.8 | Confident | 85.2 | Confident | 31 Ų | 31 | 22.8 Ų | 22.8 | 32% | 0.32 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -64.7 | -39 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S976 D977 W978 R984 | S976-G980 PolarHBondContact O-N 2.95Å; D977-G980 PolarHBondContact O-N 3.06Å; W978-G980 VanDerWaalsContact C-N 3.34Å; W978-G980 PolarHBondContact O-N 3.36Å; G980-R984 WeakPolarHBondContact O-CG 3.37Å; G980-R984 PolarHBondContact O-N 2.82Å |
| 981 | I | 89 | Confident | 83.2 | Confident | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 170.8 | -66.4 | 169 | 0 | 0 | 0 | 110.3 | T952 R955 L956 L959 D977 W978 R984 A985 Y1307 | T952-I981 HydrophobicContact CG2-CG2 4.19Å; R955-I981 HydrophobicContact CB-CD1 4.19Å; R955-I981 HydrophobicContact CB-CG1 4.11Å; R955-I981 HydrophobicContact CB-CG2 4.37Å; L956-I981 HydrophobicContact CD2-CD1 4.08Å; L956-I981 HydrophobicContact CD2-CG2 4.17Å; L956-I981 HydrophobicContact CG-CG2 4.31Å; L959-I981 HydrophobicContact CB-CD1 4.31Å; L959-I981 HydrophobicContact CD2-CD1 3.72Å; D977-I981 VanDerWaalsContact O-CG1 3.25Å; D977-I981 WeakPolarHBondContact O-CG1 3.48Å; D977-I981 PolarHBondContact O-N 2.89Å; W978-I981 PolarHBondContact O-N 3.29Å; I981-R984 PolarHBondContact O-N 2.97Å; I981-A985 WeakPolarHBondContact O-CB 3.21Å; I981-A985 PolarHBondContact O-N 3.13Å; I981-Y1307 VanDerWaalsContact CD1-OH 3.22Å; I981-Y1307 WeakPolarHBondContact CD1-OH 3.22Å; I981-Y1307 VanDerWaalsContact CG1-OH 3.31Å; I981-Y1307 WeakPolarHBondContact CG1-OH 3.39Å |
| 982 | L | 92.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.1 | -39.3 | -178 | -71.9 | 169.6 | 0 | 0 | 0 | 113.1 | M923 L938 W978 L979 A985 R986 A1010 L1013 A1014 | M923-L982 HydrophobicContact CE-CD1 4.3Å; L938-L982 HydrophobicContact CD1-CD2 3.96Å; W978-L982 HydrophobicContact CE3-CD1 3.61Å; W978-L982 HydrophobicContact CE3-CD2 4.3Å; W978-L982 HydrophobicContact CE3-CG 3.72Å; W978-L982 HydrophobicContact CZ3-CD1 3.89Å; W978-L982 HydrophobicContact CZ3-CD2 3.85Å; W978-L982 HydrophobicContact CZ3-CG 3.8Å; W978-L982 WeakPolarHBondContact O-CG 3.42Å; W978-L982 PolarHBondContact O-N 2.97Å; W978-L982 VanDerWaalsContact O-N 3.1Å; L979-L982 PolarHBondContact O-N 2.63Å; L982-A985 CarbonylContact O-C 3.08Å; L982-A985 PolarHBondContact O-N 2.86Å; L982-R986 WeakPolarHBondContact O-CG 3.15Å; L982-R986 PolarHBondContact O-N 2.85Å; L982-A1010 HydrophobicContact CD2-CB 3.88Å; L982-L1013 HydrophobicContact CD1-CB 3.97Å; L982-L1013 HydrophobicContact CD2-CB 3.67Å; L982-L1013 HydrophobicContact CD2-CD1 3.95Å; L982-L1013 HydrophobicContact CD2-CG 4.45Å; L982-A1014 HydrophobicContact CD1-CB 4Å |
| 983 | A | 89.4 | Confident | 79.2 | Confident | 22 Ų | 22 | 38 Ų | 38 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60 | -46.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L979 A985 R986 I987 | L979-A983 WeakPolarHBondContact O-CB 3.46Å; L979-A983 PolarHBondContact O-N 3.3Å; A983-A985 VanDerWaalsContact C-N 3.3Å; A983-A985 PolarHBondContact O-N 3.28Å; A983-R986 PolarHBondContact O-N 3.14Å; A983-R986 VanDerWaalsContact O-N 3.08Å; A983-I987 HydrophobicContact CB-CD1 4.43Å; A983-I987 WeakPolarHBondContact O-CB 3.47Å; A983-I987 VanDerWaalsContact O-CG1 3.29Å; A983-I987 WeakPolarHBondContact O-CG1 3.46Å; A983-I987 PolarHBondContact O-N 3.29Å |
| 984 | R | 85.4 | Confident | 77.1 | Confident | 116 Ų | 116 | 41.5 Ų | 41.5 | 44% | 0.438 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.7 | -32.5 | 174.3 | -67.2 | 177.9 | -175.7 | -112.3 | 2.2 | 112.8 | R955 G980 I981 G988 E989 | R955-R984 VanDerWaalsContact NH1-CD 3.27Å; G980-R984 WeakPolarHBondContact O-CG 3.37Å; G980-R984 PolarHBondContact O-N 2.82Å; I981-R984 PolarHBondContact O-N 2.97Å; R984-G988 CarbonylContact O-C 3.57Å; R984-G988 VanDerWaalsContact O-CA 3.24Å; R984-G988 WeakPolarHBondContact O-CA 3.49Å; R984-G988 PolarHBondContact O-N 3.29Å; R984-E989 IonicContact NH1-OE1 2.84Å; R984-E989 PolarHBondContact NH1-OE1 3.17Å; R984-E989 IonicContact NH1-OE2 2.94Å |
| 985 | A | 86.2 | Confident | 74.9 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.4 | -25 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L938 T952 I981 L982 A983 P1002 A1010 | L938-A985 HydrophobicContact CD1-CB 4.27Å; L938-A985 HydrophobicContact CD2-CB 4.36Å; T952-A985 HydrophobicContact CG2-CB 4.44Å; I981-A985 WeakPolarHBondContact O-CB 3.21Å; I981-A985 PolarHBondContact O-N 3.13Å; L982-A985 CarbonylContact O-C 3.08Å; L982-A985 PolarHBondContact O-N 2.86Å; A983-A985 VanDerWaalsContact C-N 3.3Å; A983-A985 PolarHBondContact O-N 3.28Å; A985-P1002 WeakPolarHBondContact O-CB 3.4Å; A985-A1010 HydrophobicContact CB-CB 3.94Å |
| 986 | R | 89.1 | Confident | 72.7 | Confident | 17 Ų | 17 | 53.7 Ų | 53.7 | 6% | 0.064 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -83.7 | -38.2 | 173.5 | -70.1 | -172 | -56 | -100.8 | 3.4 | 113.4 | L982 A983 P1002 R1007 A1010 E1071 | L982-R986 WeakPolarHBondContact O-CG 3.15Å; L982-R986 PolarHBondContact O-N 2.85Å; A983-R986 PolarHBondContact O-N 3.14Å; A983-R986 VanDerWaalsContact O-N 3.08Å; R986-P1002 WeakPolarHBondContact O-CG 3.31Å; R986-R1007 HydrophobicContact CB-CG 4.15Å; R986-R1007 VanDerWaalsContact O-CD 3.23Å; R986-R1007 WeakPolarHBondContact O-CD 3.16Å; R986-R1007 WeakPolarHBondContact O-CG 3.5Å; R986-A1010 HydrophobicContact CG-CB 3.63Å; R986-A1010 PolarHBondContact NH1-O 3.27Å; R986-E1071 IonicContact CZ-OE1 2.65Å; R986-E1071 IonicContact CZ-OE2 3.6Å; R986-E1071 IonicContact NE-OE1 2.64Å; R986-E1071 IonicContact NE-OE2 4Å; R986-E1071 PolarHBondContact NE-OE2 3.31Å; R986-E1071 IonicContact NH2-OE1 3.17Å; R986-E1071 PolarHBondContact NH2-OE1 3.02Å; R986-E1071 IonicContact NH2-OE2 2.68Å; R986-E1071 PolarHBondContact NH2-OE2 2.96Å |
| 987 | I | 82.8 | Confident | 70.8 | Confident | 56 Ų | 56 | 54.7 Ų | 54.7 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -92.6 | -40 | -173.4 | -59.1 | 164 | 0 | 0 | 0 | 111.5 | A983 E1071 | A983-I987 HydrophobicContact CB-CD1 4.43Å; A983-I987 WeakPolarHBondContact O-CB 3.47Å; A983-I987 VanDerWaalsContact O-CG1 3.29Å; A983-I987 WeakPolarHBondContact O-CG1 3.46Å; A983-I987 PolarHBondContact O-N 3.29Å; I987-E1071 HydrophobicContact CD1-CG 3.89Å; I987-E1071 HydrophobicContact CG1-CB 4.49Å; I987-E1071 HydrophobicContact CG1-CG 4.15Å |
| 988 | G | 74.2 | Confident | 68.8 | Low | 9 Ų | 9 | 63.8 Ų | 63.8 | 9% | 0.093 | 37% | 0.371 | C | S | . | . | trans | 105.3 | -177.5 | -161.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R984 | R984-G988 CarbonylContact O-C 3.57Å; R984-G988 VanDerWaalsContact O-CA 3.24Å; R984-G988 WeakPolarHBondContact O-CA 3.49Å; R984-G988 PolarHBondContact O-N 3.29Å | ||
| 989 | E | 67.8 | Low | 66.8 | Low | 31 Ų | 31 | 66 Ų | 66 | 15% | 0.145 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -73.1 | 131.3 | 164.7 | -70.2 | -71.4 | 91.1 | 0 | 0 | 109.1 | R955 R984 N999 M1305 | R955-E989 IonicContact CZ-OE1 3.01Å; R955-E989 VanDerWaalsContact CZ-OE1 3.3Å; R955-E989 IonicContact CZ-OE2 3.67Å; R955-E989 IonicContact NH1-OE1 2.65Å; R955-E989 PolarHBondContact NH1-OE1 2.88Å; R955-E989 IonicContact NH1-OE2 2.69Å; R955-E989 VanDerWaalsContact NH2-CD 3.27Å; R955-E989 IonicContact NH2-OE1 2.7Å; R955-E989 PolarHBondContact NH2-OE1 3.24Å; R955-E989 IonicContact NH2-OE2 3.81Å; R955-E989 PolarHBondContact NH2-OE2 3.31Å; R984-E989 IonicContact NH1-OE1 2.84Å; R984-E989 PolarHBondContact NH1-OE1 3.17Å; R984-E989 IonicContact NH1-OE2 2.94Å; E989-N999 PolarHBondContact O-ND2 3.02Å; E989-N999 VanDerWaalsContact O-ND2 3.13Å; E989-M1305 WeakPolarHBondContact OE2-CE 3.18Å |
| 990 | G | 54.9 | Low | 65.2 | Low | 43 Ų | 43 | 67 Ų | 67 | 44% | 0.443 | 39% | 0.391 | S | S | . | . | trans | -70.2 | -175.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D992 | G990-D992 PolarHBondContact O-N 3.16Š| ||
| 991 | S | 44.3 | Very low | 64.2 | Low | 117 Ų | 117 | 69.1 Ų | 69.1 | 82% | 0.818 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -65.7 | 1.3 | -167 | 47 | 0 | 0 | 0 | 0 | 117.4 | Q993 | S991-Q993 PolarHBondContact O-N 2.88Š|
| 992 | D | 48.7 | Very low | 63.6 | Low | 157 Ų | 157 | 69.2 Ų | 69.2 | 84% | 0.84 | 40% | 0.401 | S | S | * | . | trans | -87.6 | 21.6 | -170.1 | -50.9 | -32.5 | 0 | 0 | 0 | 113.4 | G990 | G990-D992 PolarHBondContact O-N 3.16Š| ||
| 993 | Q | 43.3 | Very low | 62.7 | Low | 76 Ų | 76 | 70.6 Ų | 70.6 | 36% | 0.355 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -122.6 | 147.9 | 174.6 | -72.9 | -155.8 | 10.5 | 0 | 0 | 112.5 | S991 | S991-Q993 PolarHBondContact O-N 2.88Š|
| 994 | P | 41.9 | Very low | 62.1 | Low | 99 Ų | 99 | 75.1 Ų | 75.1 | 64% | 0.643 | 43% | 0.425 | S | S | * | . | trans | -65.2 | 145.6 | -177.5 | 26.9 | -35.3 | 0 | 0 | 0 | 112.7 | D996 V997 | P994-D996 PolarHBondContact O-N 3.19Å; P994-V997 PolarHBondContact O-N 3.05Å | ||
| 995 | A | 43.8 | Very low | 61.7 | Low | 102 Ų | 102 | 73.1 Ų | 73.1 | 84% | 0.843 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -7.7 | -162.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 996 | D | 46.2 | Very low | 61.5 | Low | 167 Ų | 167 | 73.4 Ų | 73.4 | 89% | 0.893 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -14 | 178 | -70.9 | -51.2 | 0 | 0 | 0 | 113.5 | P994 K998 | P994-D996 PolarHBondContact O-N 3.19Å; D996-K998 PolarHBondContact O-N 3.37Å |
| 997 | V | 46.4 | Very low | 61.3 | Low | 60 Ų | 60 | 73.9 Ų | 73.9 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -83 | 104.4 | 171.9 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | M947 P994 N999 | M947-V997 HydrophobicContact SD-CG1 4.22Å; P994-V997 PolarHBondContact O-N 3.05Å; V997-N999 VanDerWaalsContact C-N 3.27Å; V997-N999 PolarHBondContact O-N 3.2Å |
| 998 | K | 46.8 | Very low | 61.5 | Low | 203 Ų | 203 | 75.9 Ų | 75.9 | 88% | 0.883 | 43% | 0.434 | S | S | * | . | trans | -67.8 | 85 | 167.5 | -78.7 | -173.6 | 174.6 | -179 | 0 | 110.2 | D996 P1000 | D996-K998 PolarHBondContact O-N 3.37Å; K998-P1000 WeakPolarHBondContact O-CD 3.42Å | ||
| 999 | N | 49.9 | Very low | 62.3 | Low | 48 Ų | 48 | 75.7 Ų | 75.7 | 26% | 0.257 | 43% | 0.431 | S | S | . | . | trans | -52.9 | 121.5 | 173 | -84.7 | -11.4 | 0 | 0 | 0 | 109.8 | E989 V997 C1001 | E989-N999 PolarHBondContact O-ND2 3.02Å; E989-N999 VanDerWaalsContact O-ND2 3.13Å; V997-N999 VanDerWaalsContact C-N 3.27Å; V997-N999 PolarHBondContact O-N 3.2Å; N999-C1001 PolarHBondContact O-N 3.33Å; N999-C1001 VanDerWaalsContact O-N 3.08Å | ||
| 1000 | P | 59.2 | Low | 63.4 | Low | 46 Ų | 46 | 74.2 Ų | 74.2 | 30% | 0.299 | 42% | 0.424 | S | S | . | . | trans | -69.3 | 111.3 | -178.3 | 26.2 | -32.1 | 0 | 0 | 0 | 109.1 | M947 L948 K998 | M947-P1000 HydrophobicContact CB-CG 4.07Å; L948-P1000 HydrophobicContact CB-CG 4.03Å; K998-P1000 WeakPolarHBondContact O-CD 3.42Å | ||
| 1001 | C | 65.9 | Low | 65.2 | Low | 75 Ų | 75 | 73 Ų | 73 | 51% | 0.507 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 134.5 | 179.1 | -63.9 | 0 | 0 | 0 | 0 | 110.6 | N999 T1003 P1078 | N999-C1001 PolarHBondContact O-N 3.33Å; N999-C1001 VanDerWaalsContact O-N 3.08Å; C1001-T1003 PolarHBondContact O-N 2.88Å; C1001-P1078 HydrophobicContact CB-CG 4.32Å |
| 1002 | P | 76.5 | Confident | 67.5 | Low | 6 Ų | 6 | 71.6 Ų | 71.6 | 4% | 0.039 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 130.9 | 179.4 | 20.8 | -30 | 0 | 0 | 0 | 110.8 | L948 A985 R986 Q1006 R1007 | L948-P1002 HydrophobicContact CD2-CB 3.79Å; L948-P1002 HydrophobicContact CD2-CG 4.31Å; A985-P1002 WeakPolarHBondContact O-CB 3.4Å; R986-P1002 WeakPolarHBondContact O-CG 3.31Å; P1002-Q1006 HydrophobicContact CB-CB 4.44Å; P1002-R1007 HydrophobicContact CB-CG 4.38Å; P1002-R1007 HydrophobicContact CG-CG 4.34Å; P1002-R1007 PolarHBondContact O-NE 2.99Å; P1002-R1007 PolarHBondContact O-NH2 3.41Å |
| 1003 | T | 74 | Confident | 69.7 | Low | 29 Ų | 29 | 64.1 Ų | 64.1 | 18% | 0.178 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -58 | 156.7 | 177.8 | 61.8 | 0 | 0 | 0 | 0 | 110.7 | C1001 Q1005 Q1006 R1007 | C1001-T1003 PolarHBondContact O-N 2.88Å; T1003-Q1005 PolarHBondContact O-N 2.9Å; T1003-Q1005 VanDerWaalsContact O-N 3.16Å; T1003-Q1006 PolarHBondContact O-N 2.88Å; T1003-Q1006 WeakPolarHBondContact OG1-CB 3.27Å; T1003-Q1006 VanDerWaalsContact OG1-CD 3.25Å; T1003-Q1006 VanDerWaalsContact OG1-CG 3.27Å; T1003-Q1006 WeakPolarHBondContact OG1-CG 3.15Å; T1003-Q1006 PolarHBondContact OG1-N 2.57Å; T1003-Q1006 VanDerWaalsContact OG1-N 3.16Å; T1003-Q1006 PolarHBondContact OG1-OE1 3.3Å; T1003-R1007 PolarHBondContact O-N 3.19Å; T1003-R1007 VanDerWaalsContact O-N 3.12Å |
| 1004 | K | 75.9 | Confident | 72.2 | Confident | 118 Ų | 118 | 60.5 Ų | 60.5 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -53.4 | -35.1 | 174.8 | -170.7 | 173.7 | -178.5 | 176.4 | 0 | 111.6 | L1008 | K1004-L1008 WeakPolarHBondContact O-CD1 3.36Å; K1004-L1008 VanDerWaalsContact O-CG 3.27Å; K1004-L1008 WeakPolarHBondContact O-CG 3.33Å; K1004-L1008 PolarHBondContact O-N 2.89Å |
| 1005 | Q | 77.9 | Confident | 74.7 | Confident | 73 Ų | 73 | 57 Ų | 57 | 34% | 0.341 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -74 | -45.9 | 179.1 | -166.1 | 55.1 | 62.3 | 0 | 0 | 112.5 | T1003 R1007 L1008 D1009 | T1003-Q1005 PolarHBondContact O-N 2.9Å; T1003-Q1005 VanDerWaalsContact O-N 3.16Å; Q1005-R1007 VanDerWaalsContact C-N 3.32Å; Q1005-R1007 PolarHBondContact O-N 2.83Å; Q1005-L1008 PolarHBondContact O-N 3.36Å; Q1005-L1008 VanDerWaalsContact O-N 3.13Å; Q1005-D1009 WeakPolarHBondContact CG-OD2 3.34Å; Q1005-D1009 VanDerWaalsContact NE2-CG 3.3Å; Q1005-D1009 PolarHBondContact NE2-OD1 3.06Å; Q1005-D1009 PolarHBondContact NE2-OD2 2.92Å; Q1005-D1009 VanDerWaalsContact NE2-OD2 3.1Å; Q1005-D1009 VanDerWaalsContact O-CG 3.29Å; Q1005-D1009 PolarHBondContact O-N 2.92Å; Q1005-D1009 VanDerWaalsContact O-OD2 3.12Å |
| 1006 | Q | 82.3 | Confident | 77.1 | Confident | 9 Ų | 9 | 55.6 Ų | 55.6 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.2 | -42.5 | 176.1 | -78.9 | 161.7 | -35.9 | 0 | 0 | 112.9 | S937 L938 P1002 T1003 L1008 D1009 A1010 | S937-Q1006 VanDerWaalsContact O-CG 3.23Å; S937-Q1006 WeakPolarHBondContact O-CG 3.23Å; S937-Q1006 PolarHBondContact O-NE2 2.69Å; L938-Q1006 HydrophobicContact CD2-CB 4.12Å; L938-Q1006 HydrophobicContact CD2-CG 4.18Å; P1002-Q1006 HydrophobicContact CB-CB 4.44Å; T1003-Q1006 PolarHBondContact O-N 2.88Å; T1003-Q1006 WeakPolarHBondContact OG1-CB 3.27Å; T1003-Q1006 VanDerWaalsContact OG1-CD 3.25Å; T1003-Q1006 VanDerWaalsContact OG1-CG 3.27Å; T1003-Q1006 WeakPolarHBondContact OG1-CG 3.15Å; T1003-Q1006 PolarHBondContact OG1-N 2.57Å; T1003-Q1006 VanDerWaalsContact OG1-N 3.16Å; T1003-Q1006 PolarHBondContact OG1-OE1 3.3Å; Q1006-L1008 PolarHBondContact O-N 3.32Å; Q1006-D1009 PolarHBondContact O-N 3.23Å; Q1006-A1010 WeakPolarHBondContact O-CB 3.49Å; Q1006-A1010 PolarHBondContact O-N 3.33Å |
| 1007 | R | 85.5 | Confident | 79.5 | Confident | 28 Ų | 28 | 47.6 Ų | 47.6 | 11% | 0.106 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 174.9 | -98.7 | 178.2 | -74.9 | -169.7 | -7.8 | 112.9 | R986 P1002 T1003 Q1005 A1011 | R986-R1007 HydrophobicContact CB-CG 4.15Å; R986-R1007 VanDerWaalsContact O-CD 3.23Å; R986-R1007 WeakPolarHBondContact O-CD 3.16Å; R986-R1007 WeakPolarHBondContact O-CG 3.5Å; P1002-R1007 HydrophobicContact CB-CG 4.38Å; P1002-R1007 HydrophobicContact CG-CG 4.34Å; P1002-R1007 PolarHBondContact O-NE 2.99Å; P1002-R1007 PolarHBondContact O-NH2 3.41Å; T1003-R1007 PolarHBondContact O-N 3.19Å; T1003-R1007 VanDerWaalsContact O-N 3.12Å; Q1005-R1007 VanDerWaalsContact C-N 3.32Å; Q1005-R1007 PolarHBondContact O-N 2.83Å; R1007-A1011 WeakPolarHBondContact O-CB 3.17Å; R1007-A1011 PolarHBondContact O-N 2.93Å |
| 1008 | L | 87.1 | Confident | 81.7 | Confident | 97 Ų | 97 | 44.8 Ų | 44.8 | 51% | 0.508 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.9 | -43.6 | 179.8 | -69.6 | 169.4 | 0 | 0 | 0 | 111.5 | K1004 Q1005 Q1006 A1011 E1012 | K1004-L1008 WeakPolarHBondContact O-CD1 3.36Å; K1004-L1008 VanDerWaalsContact O-CG 3.27Å; K1004-L1008 WeakPolarHBondContact O-CG 3.33Å; K1004-L1008 PolarHBondContact O-N 2.89Å; Q1005-L1008 PolarHBondContact O-N 3.36Å; Q1005-L1008 VanDerWaalsContact O-N 3.13Å; Q1006-L1008 PolarHBondContact O-N 3.32Å; L1008-A1011 PolarHBondContact O-N 2.88Å; L1008-E1012 PolarHBondContact O-N 2.91Å |
| 1009 | D | 89.8 | Confident | 83.9 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.3 | -36.7 | 178.8 | -60.8 | -37 | 0 | 0 | 0 | 111.9 | R932 L934 S937 Q1005 Q1006 L1013 | R932-D1009 IonicContact CZ-OD1 3.64Å; R932-D1009 IonicContact CZ-OD2 3.64Å; R932-D1009 VanDerWaalsContact NH1-CG 3.34Å; R932-D1009 IonicContact NH1-OD1 2.77Å; R932-D1009 PolarHBondContact NH1-OD1 3.34Å; R932-D1009 IonicContact NH1-OD2 2.75Å; R932-D1009 PolarHBondContact NH1-OD2 3.32Å; R932-D1009 IonicContact NH2-OD1 3.76Å; R932-D1009 PolarHBondContact NH2-OD1 2.58Å; R932-D1009 IonicContact NH2-OD2 2.65Å; L934-D1009 HydrophobicContact CB-CB 4.35Å; L934-D1009 HydrophobicContact CD2-CB 4.17Å; L934-D1009 WeakPolarHBondContact CD2-OD1 3.27Å; S937-D1009 WeakPolarHBondContact CB-OD2 3.49Å; S937-D1009 PolarHBondContact OG-OD2 3.41Å; Q1005-D1009 WeakPolarHBondContact CG-OD2 3.34Å; Q1005-D1009 VanDerWaalsContact NE2-CG 3.3Å; Q1005-D1009 PolarHBondContact NE2-OD1 3.06Å; Q1005-D1009 PolarHBondContact NE2-OD2 2.92Å; Q1005-D1009 VanDerWaalsContact NE2-OD2 3.1Å; Q1005-D1009 VanDerWaalsContact O-CG 3.29Å; Q1005-D1009 PolarHBondContact O-N 2.92Å; Q1005-D1009 VanDerWaalsContact O-OD2 3.12Å; Q1006-D1009 PolarHBondContact O-N 3.23Å; D1009-L1013 VanDerWaalsContact O-CB 3.3Å; D1009-L1013 WeakPolarHBondContact O-CB 3.25Å; D1009-L1013 WeakPolarHBondContact O-CD1 3.1Å; D1009-L1013 VanDerWaalsContact O-CG 3.24Å; D1009-L1013 WeakPolarHBondContact O-CG 3.32Å; D1009-L1013 PolarHBondContact O-N 3.36Å |
| 1010 | A | 91.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -74.7 | -20.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L938 L982 A985 R986 Q1006 A1014 | L938-A1010 HydrophobicContact CD1-CB 4.14Å; L938-A1010 HydrophobicContact CD2-CB 4.02Å; L982-A1010 HydrophobicContact CD2-CB 3.88Å; A985-A1010 HydrophobicContact CB-CB 3.94Å; R986-A1010 HydrophobicContact CG-CB 3.63Å; R986-A1010 PolarHBondContact NH1-O 3.27Å; Q1006-A1010 WeakPolarHBondContact O-CB 3.49Å; Q1006-A1010 PolarHBondContact O-N 3.33Å; A1010-A1014 PolarHBondContact O-N 3.03Å |
| 1011 | A | 92.2 | Very high | 87.4 | Confident | 17 Ų | 17 | 37.8 Ų | 37.8 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -75.8 | -50 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | R1007 L1008 L1013 A1014 H1015 I1068 | R1007-A1011 WeakPolarHBondContact O-CB 3.17Å; R1007-A1011 PolarHBondContact O-N 2.93Å; L1008-A1011 PolarHBondContact O-N 2.88Å; A1011-L1013 VanDerWaalsContact C-N 3.31Å; A1011-L1013 PolarHBondContact O-N 3.46Å; A1011-A1014 WeakPolarHBondContact O-CB 3.39Å; A1011-A1014 PolarHBondContact O-N 3.25Å; A1011-H1015 PolarHBondContact O-CD2 3.19Å; A1011-H1015 PolarHBondContact O-N 3.47Å; A1011-I1068 HydrophobicContact CB-CD1 4.17Å |
| 1012 | E | 92.8 | Very high | 88.5 | Confident | 88 Ų | 88 | 36.3 Ų | 36.3 | 41% | 0.411 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.4 | -39.6 | 178 | -177.9 | 58.6 | -154.1 | 0 | 0 | 111.7 | L934 L1008 A1014 H1015 R1016 R1019 | L934-E1012 HydrophobicContact CD1-CB 4.32Å; L934-E1012 HydrophobicContact CD1-CG 3.81Å; L1008-E1012 PolarHBondContact O-N 2.91Å; E1012-A1014 VanDerWaalsContact C-N 3.33Å; E1012-A1014 PolarHBondContact O-N 3.13Å; E1012-H1015 PolarHBondContact O-N 2.94Å; E1012-R1016 VanDerWaalsContact O-CB 3.24Å; E1012-R1016 WeakPolarHBondContact O-CB 3.27Å; E1012-R1016 PolarHBondContact O-N 3.2Å; E1012-R1019 IonicContact OE1-NH1 2.69Å |
| 1013 | L | 94.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.4 | -40.4 | 171.1 | -79.6 | 165.2 | 0 | 0 | 0 | 112.4 | M923 A926 L934 V935 L938 L982 D1009 A1011 R1016 W1017 | M923-L1013 HydrophobicContact CE-CB 4.07Å; M923-L1013 HydrophobicContact CE-CD2 3.81Å; M923-L1013 WeakPolarHBondContact CE-O 3.37Å; M923-L1013 HydrophobicContact SD-CD2 4.36Å; A926-L1013 HydrophobicContact CB-CD2 3.61Å; L934-L1013 HydrophobicContact CB-CD1 3.86Å; L934-L1013 HydrophobicContact CB-CD2 3.96Å; L934-L1013 HydrophobicContact CB-CG 3.74Å; L934-L1013 HydrophobicContact CD1-CD2 4.14Å; L934-L1013 HydrophobicContact CD1-CG 4.06Å; V935-L1013 HydrophobicContact CG2-CD1 3.89Å; V935-L1013 HydrophobicContact CG2-CD2 4.06Å; L938-L1013 HydrophobicContact CD1-CD1 3.65Å; L938-L1013 HydrophobicContact CG-CD1 4.43Å; L982-L1013 HydrophobicContact CD1-CB 3.97Å; L982-L1013 HydrophobicContact CD2-CB 3.67Å; L982-L1013 HydrophobicContact CD2-CD1 3.95Å; L982-L1013 HydrophobicContact CD2-CG 4.45Å; D1009-L1013 VanDerWaalsContact O-CB 3.3Å; D1009-L1013 WeakPolarHBondContact O-CB 3.25Å; D1009-L1013 WeakPolarHBondContact O-CD1 3.1Å; D1009-L1013 VanDerWaalsContact O-CG 3.24Å; D1009-L1013 WeakPolarHBondContact O-CG 3.32Å; D1009-L1013 PolarHBondContact O-N 3.36Å; A1011-L1013 VanDerWaalsContact C-N 3.31Å; A1011-L1013 PolarHBondContact O-N 3.46Å; L1013-R1016 PolarHBondContact O-N 3.29Å; L1013-W1017 PolarHBondContact O-N 3.2Å |
| 1014 | A | 95.4 | Very high | 89 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.5 | -41.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L979 L982 A1010 A1011 E1012 R1016 W1017 V1018 L1064 | L979-A1014 HydrophobicContact CD2-CB 4.06Å; L982-A1014 HydrophobicContact CD1-CB 4Å; A1010-A1014 PolarHBondContact O-N 3.03Å; A1011-A1014 WeakPolarHBondContact O-CB 3.39Å; A1011-A1014 PolarHBondContact O-N 3.25Å; E1012-A1014 VanDerWaalsContact C-N 3.33Å; E1012-A1014 PolarHBondContact O-N 3.13Å; A1014-R1016 VanDerWaalsContact C-N 3.33Å; A1014-R1016 PolarHBondContact O-N 2.95Å; A1014-W1017 WeakPolarHBondContact O-CB 3.2Å; A1014-W1017 PolarHBondContact O-N 3.31Å; A1014-V1018 PolarHBondContact O-N 3.1Å; A1014-L1064 HydrophobicContact CB-CD1 3.81Å; A1014-L1064 HydrophobicContact CB-CD2 3.69Å; A1014-L1064 HydrophobicContact CB-CG 4.35Å; A1014-L1064 WeakPolarHBondContact O-CD2 3.23Å |
| 1015 | H | 95.4 | Very high | 89.1 | Confident | 27 Ų | 27 | 36.8 Ų | 36.8 | 13% | 0.125 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 171.7 | -81.2 | -88.8 | 0 | 0 | 0 | 111 | A1011 E1012 W1017 V1018 R1019 E1061 L1064 E1065 | A1011-H1015 PolarHBondContact O-CD2 3.19Å; A1011-H1015 PolarHBondContact O-N 3.47Å; E1012-H1015 PolarHBondContact O-N 2.94Å; H1015-W1017 VanDerWaalsContact C-N 3.34Å; H1015-W1017 PolarHBondContact O-N 2.93Å; H1015-V1018 PolarHBondContact O-N 2.88Å; H1015-R1019 WeakPolarHBondContact O-CB 3.38Å; H1015-R1019 VanDerWaalsContact O-CG 3.25Å; H1015-R1019 WeakPolarHBondContact O-CG 3.08Å; H1015-R1019 PolarHBondContact O-N 2.87Å; H1015-E1061 IonicContact CE1-OE1 3.22Å; H1015-E1061 IonicContact CG-OE1 3.44Å; H1015-E1061 IonicContact ND1-OE1 2.78Å; H1015-E1061 PolarHBondContact ND1-OE1 3.45Å; H1015-L1064 HydrophobicContact CB-CD2 4.48Å; H1015-E1065 IonicContact CE1-OE1 3.65Å |
| 1016 | R | 94.6 | Very high | 88.4 | Confident | 71 Ų | 71 | 38.9 Ų | 38.9 | 27% | 0.268 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.6 | -38.7 | 175.6 | -178.5 | 175.1 | 171.8 | 134.9 | -3.5 | 112.4 | A922 M923 A926 E1012 L1013 A1014 L1020 | A922-R1016 PolarHBondContact O-NE 3.17Å; A922-R1016 PolarHBondContact O-NH2 3.06Å; M923-R1016 HydrophobicContact SD-CB 4.38Å; M923-R1016 HydrophobicContact SD-CG 4.1Å; A926-R1016 VanDerWaalsContact CB-NE 3.31Å; E1012-R1016 VanDerWaalsContact O-CB 3.24Å; E1012-R1016 WeakPolarHBondContact O-CB 3.27Å; E1012-R1016 PolarHBondContact O-N 3.2Å; L1013-R1016 PolarHBondContact O-N 3.29Å; A1014-R1016 VanDerWaalsContact C-N 3.33Å; A1014-R1016 PolarHBondContact O-N 2.95Å; R1016-L1020 WeakPolarHBondContact O-CB 3.38Å; R1016-L1020 PolarHBondContact O-N 3.32Å |
| 1017 | W | 95.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.9 | -56.3 | 174.2 | 177.5 | -88.9 | 0 | 0 | 0 | 110.8 | L919 M923 L971 L974 Q975 W978 L979 L1013 A1014 H1015 L1020 R1021 | L919-W1017 HydrophobicContact CD1-CZ3 4.45Å; L919-W1017 HydrophobicContact CD2-CH2 3.4Å; L919-W1017 HydrophobicContact CD2-CZ2 3.51Å; L919-W1017 HydrophobicContact CD2-CZ3 3.98Å; L919-W1017 HydrophobicContact CG-CE3 4.28Å; L919-W1017 HydrophobicContact CG-CH2 3.64Å; L919-W1017 HydrophobicContact CG-CZ2 4.18Å; L919-W1017 HydrophobicContact CG-CZ3 3.7Å; M923-W1017 HydrophobicContact CE-CB 4.04Å; M923-W1017 HydrophobicContact CE-CE3 4.05Å; M923-W1017 HydrophobicContact CG-CE3 3.74Å; M923-W1017 HydrophobicContact CG-CZ3 4.13Å; M923-W1017 HydrophobicContact SD-CB 4.12Å; M923-W1017 HydrophobicContact SD-CE3 4.17Å; L971-W1017 HydrophobicContact CD1-CZ2 4.4Å; L974-W1017 HydrophobicContact CD2-CH2 3.97Å; L974-W1017 HydrophobicContact CG-CH2 3.87Å; L974-W1017 HydrophobicContact CG-CZ2 4.46Å; Q975-W1017 HydrophobicContact CB-CZ2 3.93Å; Q975-W1017 VanDerWaalsContact OE1-NE1 3.1Å; W978-W1017 HydrophobicContact CB-CD2 4.27Å; W978-W1017 HydrophobicContact CB-CE3 3.92Å; W978-W1017 HydrophobicContact CB-CH2 4.2Å; W978-W1017 HydrophobicContact CB-CZ2 4.49Å; W978-W1017 HydrophobicContact CB-CZ3 3.91Å; W978-W1017 AromaticContact CD1-CE3 3.79Å; W978-W1017 AromaticContact CD1-CH2 3.77Å; W978-W1017 AromaticContact CD1-CZ3 3.16Å; W978-W1017 HydrophobicContact CD2-CE3 4.32Å; W978-W1017 HydrophobicContact CD2-CZ3 4.4Å; W978-W1017 AromaticContact CG-CE3 3.75Å; W978-W1017 HydrophobicContact CG-CE3 3.75Å; W978-W1017 HydrophobicContact CG-CH2 4.23Å; W978-W1017 AromaticContact CG-CZ3 3.57Å; W978-W1017 HydrophobicContact CG-CZ3 3.57Å; W978-W1017 AromaticContact NE1-CZ3 3.78Å; L979-W1017 HydrophobicContact CD2-CB 4.46Å; L979-W1017 HydrophobicContact CD2-CG 4.33Å; L1013-W1017 PolarHBondContact O-N 3.2Å; A1014-W1017 WeakPolarHBondContact O-CB 3.2Å; A1014-W1017 PolarHBondContact O-N 3.31Å; H1015-W1017 VanDerWaalsContact C-N 3.34Å; H1015-W1017 PolarHBondContact O-N 2.93Å; W1017-L1020 PolarHBondContact O-N 2.95Å; W1017-R1021 WeakPolarHBondContact O-CB 3.47Å; W1017-R1021 PolarHBondContact O-N 2.76Å |
| 1018 | V | 93.8 | Very high | 84.7 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.2 | -48.8 | -177.4 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | A1014 H1015 L1020 D1022 Y1059 E1061 L1064 | A1014-V1018 PolarHBondContact O-N 3.1Å; H1015-V1018 PolarHBondContact O-N 2.88Å; V1018-L1020 PolarHBondContact O-N 3.49Å; V1018-D1022 WeakPolarHBondContact O-CB 3.35Å; V1018-D1022 PolarHBondContact O-N 2.6Å; V1018-Y1059 HydrophobicContact CG2-CD1 4.3Å; V1018-Y1059 HydrophobicContact CG2-CE1 4.47Å; V1018-E1061 HydrophobicContact CG1-CB 4.12Å; V1018-L1064 HydrophobicContact CG2-CD2 4.13Å |
| 1019 | R | 92.8 | Very high | 82.4 | Confident | 115 Ų | 115 | 51.1 Ų | 51.1 | 43% | 0.434 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 178.7 | -68.3 | 171.5 | -171.9 | 157.5 | 5 | 112.6 | E1012 H1015 D1022 E1023 E1061 | E1012-R1019 IonicContact OE1-NH1 2.69Å; H1015-R1019 WeakPolarHBondContact O-CB 3.38Å; H1015-R1019 VanDerWaalsContact O-CG 3.25Å; H1015-R1019 WeakPolarHBondContact O-CG 3.08Å; H1015-R1019 PolarHBondContact O-N 2.87Å; R1019-D1022 PolarHBondContact O-N 2.85Å; R1019-E1023 PolarHBondContact O-N 3.09Å; R1019-E1061 IonicContact CZ-OE1 3.56Å; R1019-E1061 IonicContact NE-OE1 3.55Å; R1019-E1061 PolarHBondContact NE-OE1 2.8Å; R1019-E1061 IonicContact NE-OE2 2.78Å; R1019-E1061 PolarHBondContact NE-OE2 3.14Å; R1019-E1061 IonicContact NH2-OE1 3.73Å; R1019-E1061 PolarHBondContact NH2-OE1 3.37Å |
| 1020 | L | 90.5 | Very high | 79.7 | Confident | 34 Ų | 34 | 63 Ų | 63 | 18% | 0.178 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.8 | -39.6 | -177.6 | -177.7 | 60.5 | 0 | 0 | 0 | 112.2 | L919 A922 R1016 W1017 V1018 D1022 E1023 L1024 | L919-L1020 HydrophobicContact CD1-CB 4.14Å; L919-L1020 HydrophobicContact CD1-CD2 3.9Å; L919-L1020 HydrophobicContact CD1-CG 3.78Å; A922-L1020 HydrophobicContact CB-CD2 3.54Å; R1016-L1020 WeakPolarHBondContact O-CB 3.38Å; R1016-L1020 PolarHBondContact O-N 3.32Å; W1017-L1020 PolarHBondContact O-N 2.95Å; V1018-L1020 PolarHBondContact O-N 3.49Å; L1020-D1022 VanDerWaalsContact C-N 3.3Å; L1020-D1022 PolarHBondContact O-N 2.88Å; L1020-E1023 PolarHBondContact O-N 3.22Å; L1020-L1024 HydrophobicContact CD1-CD1 4.05Å; L1020-L1024 HydrophobicContact CD1-CG 4.11Å; L1020-L1024 HydrophobicContact CG-CD1 4.03Å; L1020-L1024 HydrophobicContact CG-CG 4.47Å; L1020-L1024 WeakPolarHBondContact O-CB 3.42Å; L1020-L1024 VanDerWaalsContact O-CG 3.27Å; L1020-L1024 WeakPolarHBondContact O-CG 3.38Å; L1020-L1024 PolarHBondContact O-N 3.14Å |
| 1021 | R | 91.7 | Very high | 76.8 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -52.4 | -51.2 | 169.4 | 177.8 | -157.6 | 75.2 | -163.7 | 4.3 | 110.3 | L919 L971 W1017 L1024 C1025 A1056 L1057 Y1059 | L919-R1021 HydrophobicContact CD2-CB 4.44Å; L971-R1021 HydrophobicContact CD1-CG 4.34Å; L971-R1021 HydrophobicContact CD2-CG 3.85Å; L971-R1021 HydrophobicContact CG-CG 4.48Å; W1017-R1021 WeakPolarHBondContact O-CB 3.47Å; W1017-R1021 PolarHBondContact O-N 2.76Å; R1021-L1024 PolarHBondContact O-N 2.94Å; R1021-C1025 WeakPolarHBondContact O-CB 3.31Å; R1021-C1025 PolarHBondContact O-N 2.67Å; R1021-C1025 PolarHBondContact O-SG 2.81Å; R1021-A1056 PolarHBondContact NH1-O 2.93Å; R1021-L1057 HydrophobicContact CG-CD2 4.35Å; R1021-Y1059 VanDerWaalsContact CZ-O 3.3Å; R1021-Y1059 PolarHBondContact NH1-O 3.04Å; R1021-Y1059 PolarHBondContact NH2-O 2.92Å |
| 1022 | D | 88.1 | Confident | 73.7 | Confident | 44 Ų | 44 | 76.8 Ų | 76.8 | 24% | 0.235 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.8 | -39.9 | -177.2 | -70.5 | -15.2 | 0 | 0 | 0 | 112.2 | V1018 R1019 L1020 L1024 C1025 H1026 L1057 | V1018-D1022 WeakPolarHBondContact O-CB 3.35Å; V1018-D1022 PolarHBondContact O-N 2.6Å; R1019-D1022 PolarHBondContact O-N 2.85Å; L1020-D1022 VanDerWaalsContact C-N 3.3Å; L1020-D1022 PolarHBondContact O-N 2.88Å; D1022-L1024 VanDerWaalsContact C-N 3.31Å; D1022-L1024 PolarHBondContact O-N 3.22Å; D1022-C1025 PolarHBondContact O-N 3.14Å; D1022-H1026 VanDerWaalsContact O-CB 3.29Å; D1022-H1026 WeakPolarHBondContact O-CB 3.46Å; D1022-H1026 PolarHBondContact O-N 3.16Å; D1022-L1057 VanDerWaalsContact OD1-CD2 3.29Å; D1022-L1057 WeakPolarHBondContact OD1-CD2 3.17Å |
| 1023 | E | 82.9 | Confident | 70.8 | Confident | 106 Ų | 106 | 75.9 Ų | 75.9 | 50% | 0.495 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 173.9 | -173.3 | 179.2 | 177.7 | 0 | 0 | 112.2 | R1019 L1020 R1027 | R1019-E1023 PolarHBondContact O-N 3.09Å; L1020-E1023 PolarHBondContact O-N 3.22Å; E1023-R1027 WeakPolarHBondContact O-CB 3.21Å; E1023-R1027 IonicContact OE1-CZ 2.77Å; E1023-R1027 IonicContact OE1-NH1 3.64Å; E1023-R1027 PolarHBondContact OE1-NH1 2.93Å; E1023-R1027 IonicContact OE1-NH2 3.76Å |
| 1024 | L | 78.8 | Confident | 67.8 | Low | 55 Ų | 55 | 78.5 Ų | 78.5 | 29% | 0.288 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -75.3 | -35.9 | -180 | -68.2 | 175.1 | 0 | 0 | 0 | 112.9 | L915 L919 L1020 R1021 D1022 | L915-L1024 HydrophobicContact CD1-CB 3.79Å; L915-L1024 HydrophobicContact CD1-CD1 4.04Å; L915-L1024 HydrophobicContact CD1-CG 4.46Å; L919-L1024 HydrophobicContact CD1-CD1 4.24Å; L1020-L1024 HydrophobicContact CD1-CD1 4.05Å; L1020-L1024 HydrophobicContact CD1-CG 4.11Å; L1020-L1024 HydrophobicContact CG-CD1 4.03Å; L1020-L1024 HydrophobicContact CG-CG 4.47Å; L1020-L1024 WeakPolarHBondContact O-CB 3.42Å; L1020-L1024 VanDerWaalsContact O-CG 3.27Å; L1020-L1024 WeakPolarHBondContact O-CG 3.38Å; L1020-L1024 PolarHBondContact O-N 3.14Å; R1021-L1024 PolarHBondContact O-N 2.94Å; D1022-L1024 VanDerWaalsContact C-N 3.31Å; D1022-L1024 PolarHBondContact O-N 3.22Å |
| 1025 | C | 77.8 | Confident | 64.9 | Low | 2 Ų | 2 | 87.2 Ų | 87.2 | 1% | 0.014 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -86.9 | -26 | -178.2 | -58.4 | 0 | 0 | 0 | 0 | 114.2 | R1021 D1022 L1057 | R1021-C1025 WeakPolarHBondContact O-CB 3.31Å; R1021-C1025 PolarHBondContact O-N 2.67Å; R1021-C1025 PolarHBondContact O-SG 2.81Å; D1022-C1025 PolarHBondContact O-N 3.14Å; C1025-L1057 HydrophobicContact CB-CD2 4.08Å |
| 1026 | H | 64.2 | Low | 61.8 | Low | 116 Ų | 116 | 90.5 Ų | 90.5 | 54% | 0.537 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -106 | 11.3 | -176 | -73.2 | 97.2 | 0 | 0 | 0 | 115.1 | D1022 Q1028 | D1022-H1026 VanDerWaalsContact O-CB 3.29Å; D1022-H1026 WeakPolarHBondContact O-CB 3.46Å; D1022-H1026 PolarHBondContact O-N 3.16Å; H1026-Q1028 PolarHBondContact O-N 3.21Å |
| 1027 | R | 49 | Very low | 58.8 | Low | 140 Ų | 140 | 92.2 Ų | 92.2 | 53% | 0.528 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 10.7 | -171.6 | -141.2 | -167.8 | -179.2 | 83.4 | 3.6 | 116.7 | E1023 | E1023-R1027 WeakPolarHBondContact O-CB 3.21Å; E1023-R1027 IonicContact OE1-CZ 2.77Å; E1023-R1027 IonicContact OE1-NH1 3.64Å; E1023-R1027 PolarHBondContact OE1-NH1 2.93Å; E1023-R1027 IonicContact OE1-NH2 3.76Å |
| 1028 | Q | 39.7 | Very low | 55.8 | Low | 70 Ų | 70 | 98.3 Ų | 98.3 | 33% | 0.327 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 6.4 | -172.6 | -133.7 | -172.6 | 10.8 | 0 | 0 | 117.5 | H1026 V1051 P1481 | H1026-Q1028 PolarHBondContact O-N 3.21Å; Q1028-V1051 HydrophobicContact CB-CG2 3.79Å; Q1028-P1481 PolarHBondContact NE2-O 3.02Å |
| 1029 | Q | 39.3 | Very low | 52.7 | Low | 182 Ų | 182 | 103.6 Ų | 103.6 | 85% | 0.85 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -101.1 | -20.3 | 174.2 | -75.3 | -167.5 | -1.4 | 0 | 0 | 116.2 | ||
| 1030 | R | 32.6 | Very low | 49.6 | Very low | 253 Ų | 253 | 104.3 Ų | 104.3 | 96% | 0.955 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -94 | 5.9 | -173.4 | -106.5 | -173.3 | -176.3 | -168.8 | 3.5 | 117.3 | ||
| 1031 | R | 31.7 | Very low | 47 | Very low | 242 Ų | 242 | 109.9 Ų | 109.9 | 91% | 0.913 | 57% | 0.569 | S | S | * | * | trans | -129.2 | 96.1 | 170.8 | -83.2 | -170.2 | 172.6 | -175.7 | -1.9 | 112.4 | ||||
| 1032 | S | 26.8 | Very low | 44.1 | Very low | 66 Ų | 66 | 113.1 Ų | 113.1 | 46% | 0.462 | 59% | 0.592 | S | S | . | * | trans | -134.3 | 67.9 | 161.6 | 63.3 | 0 | 0 | 0 | 0 | 110.3 | R407 | R407-S1032 VanDerWaalsContact CZ-CB 3.46Å; R407-S1032 VanDerWaalsContact CZ-OG 3.25Å; R407-S1032 PolarHBondContact NE-OG 3.22Å; R407-S1032 PolarHBondContact NH1-O 2.75Å; R407-S1032 PolarHBondContact NH2-O 3.23Å; R407-S1032 PolarHBondContact NH2-OG 3.27Å | ||
| 1033 | G | 31 | Very low | 41.1 | Very low | 68 Ų | 68 | 113.8 Ų | 113.8 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -149.6 | 132.8 | 180 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 1034 | T | 32.8 | Very low | 38.5 | Very low | 55 Ų | 55 | 114.7 Ų | 114.7 | 34% | 0.337 | 63% | 0.628 | S | S | . | * | trans | -43 | 128.9 | -172.8 | 43.5 | 0 | 0 | 0 | 0 | 116.3 | R409 R410 | R409-T1034 HydrophobicContact CG-CG2 4.2Å; R410-T1034 HydrophobicContact CG-CG2 3.95Å | ||
| 1035 | Q | 34.5 | Very low | 36.3 | Very low | 184 Ų | 184 | 118.1 Ų | 118.1 | 86% | 0.86 | 65% | 0.65 | S | S | * | * | -146.1 | 143.2 | 116.8 | -110.6 | 174.9 | 17.9 | 0 | 0 | 111.9 | |||||
| 1036 | T | 29.5 | Very low | 34.1 | Very low | 96 Ų | 96 | 123 Ų | 123 | 59% | 0.589 | 68% | 0.676 | S | S | * | * | trans | -115.7 | 145.5 | 150.1 | 23.4 | 0 | 0 | 0 | 0 | 103.3 | R409 | R409-T1036 PolarHBondContact NH1-OG1 3Š| ||
| 1037 | S | 32 | Very low | 32.9 | Very low | 106 Ų | 106 | 121.5 Ų | 121.5 | 74% | 0.741 | 68% | 0.676 | S | S | * | * | cis | -140.8 | 168.7 | 47 | -65.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1038 | P | 31.6 | Very low | 32.5 | Very low | 129 Ų | 129 | 118.3 Ų | 118.3 | 84% | 0.838 | 68% | 0.676 | S | S | * | * | trans | -80.2 | 126.6 | -174.9 | 31.1 | -34.4 | 0 | 0 | 0 | 113 | ||||
| 1039 | S | 28.8 | Very low | 33 | Very low | 111 Ų | 111 | 119.4 Ų | 119.4 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | trans | -117.3 | 124.9 | 161.3 | 56 | 0 | 0 | 0 | 0 | 108.4 | D1041 | S1039-D1041 PolarHBondContact O-N 2.74Š| ||
| 1040 | N | 29.3 | Very low | 33.7 | Very low | 131 Ų | 131 | 111.5 Ų | 111.5 | 70% | 0.701 | 65% | 0.645 | S | S | * | * | trans | -67.7 | 117.5 | -176.5 | -75.7 | -50.7 | 0 | 0 | 0 | 111.9 | W2097 | N1040-W2097 HydrophobicContact CB-CH2 3.69Å; N1040-W2097 HydrophobicContact CB-CZ2 3.64Å | ||
| 1041 | D | 35.1 | Very low | 35.4 | Very low | 150 Ų | 150 | 101.6 Ų | 101.6 | 80% | 0.802 | 61% | 0.612 | S | S | * | * | trans | -134.2 | 150.2 | 159.1 | -166.1 | 0.4 | 0 | 0 | 0 | 108.2 | S1039 | S1039-D1041 PolarHBondContact O-N 2.74Š| ||
| 1042 | S | 30.5 | Very low | 37.7 | Very low | 69 Ų | 69 | 90.2 Ų | 90.2 | 48% | 0.483 | 57% | 0.57 | S | S | . | * | trans | -154.5 | 82 | -173.3 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | R2100 | S1042-R2100 PolarHBondContact OG-NH1 3.15Š| ||
| 1043 | G | 25.7 | Very low | 40.2 | Very low | 58 Ų | 58 | 93.8 Ų | 93.8 | 60% | 0.598 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -148.2 | 127.5 | 167 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 1044 | S | 27.8 | Very low | 42.7 | Very low | 126 Ų | 126 | 90.7 Ų | 90.7 | 88% | 0.881 | 54% | 0.541 | S | S | * | . | trans | 55.5 | 59 | 172.4 | -155.1 | 0 | 0 | 0 | 0 | 116.5 | L1046 | S1044-L1046 PolarHBondContact O-N 3.48Š| ||
| 1045 | V | 31.9 | Very low | 45 | Very low | 126 Ų | 126 | 89.5 Ų | 89.5 | 76% | 0.764 | 54% | 0.535 | S | S | * | . | trans | -89.6 | 98.6 | 169.6 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1046 | L | 32.3 | Very low | 47.4 | Very low | 104 Ų | 104 | 80.9 Ų | 80.9 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | trans | -66.2 | 137.6 | 157 | -79.5 | 166.8 | 0 | 0 | 0 | 109.1 | S1044 S1048 | S1044-L1046 PolarHBondContact O-N 3.48Å; L1046-S1048 VanDerWaalsContact C-N 3.33Å; L1046-S1048 PolarHBondContact O-N 2.75Å; L1046-S1048 PolarHBondContact O-OG 3.2Å | ||
| 1047 | P | 38.4 | Very low | 50.1 | Low | 85 Ų | 85 | 77.5 Ų | 77.5 | 55% | 0.552 | 47% | 0.473 | S | S | * | . | trans | -66.5 | 93.1 | 174.6 | 28.3 | -33.7 | 0 | 0 | 0 | 109.2 | H1049 | P1047-H1049 PolarHBondContact O-N 3.3Š| ||
| 1048 | S | 40.5 | Very low | 52.5 | Low | 74 Ų | 74 | 77.1 Ų | 77.1 | 52% | 0.517 | 47% | 0.471 | S | S | . | . | trans | -85.1 | 25.7 | -161.3 | 17.7 | 0 | 0 | 0 | 0 | 113.7 | L1046 | L1046-S1048 VanDerWaalsContact C-N 3.33Å; L1046-S1048 PolarHBondContact O-N 2.75Å; L1046-S1048 PolarHBondContact O-OG 3.2Å | ||
| 1049 | H | 50.6 | Low | 55.1 | Low | 92 Ų | 92 | 73.5 Ų | 73.5 | 43% | 0.426 | 44% | 0.44 | S | S | . | . | trans | -136.3 | 98.2 | 173.4 | -62.1 | -30.3 | 0 | 0 | 0 | 108.6 | P1047 P1481 | P1047-H1049 PolarHBondContact O-N 3.3Å; H1049-P1481 HydrophobicContact CB-CB 3.59Å; H1049-P1481 HydrophobicContact CB-CG 3.45Å; H1049-P1481 VanDerWaalsContact CB-CG 3.45Å; H1049-P1481 WeakPolarHBondContact O-CG 3.03Å | ||
| 1050 | V | 53.7 | Low | 58.1 | Low | 17 Ų | 17 | 71.5 Ų | 71.5 | 10% | 0.103 | 42% | 0.424 | C | S | . | . | trans | -124.1 | 122.6 | 161.4 | 179.5 | 0 | 0 | 0 | 0 | 105.5 | L915 L1052 Y1478 | L915-V1050 HydrophobicContact CD2-CG1 3.97Å; V1050-L1052 HydrophobicContact CG1-CB 4.21Å; V1050-Y1478 HydrophobicContact CB-CE2 4.47Å; V1050-Y1478 HydrophobicContact CG1-CD2 4.05Å; V1050-Y1478 HydrophobicContact CG1-CE2 3.51Å; V1050-Y1478 HydrophobicContact CG2-CE2 4.3Å | ||
| 1051 | V | 68.2 | Low | 61 | Low | 45 Ų | 45 | 67.9 Ų | 67.9 | 27% | 0.273 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 86.7 | 171.8 | 178.5 | 0 | 0 | 0 | 0 | 105.8 | Q1028 F1479 | Q1028-V1051 HydrophobicContact CB-CG2 3.79Å; V1051-F1479 HydrophobicContact CB-CB 4.03Å; V1051-F1479 HydrophobicContact CG1-CB 4.05Å; V1051-F1479 WeakPolarHBondContact O-CA 3.43Å; V1051-F1479 VanDerWaalsContact O-CB 3.3Å; V1051-F1479 WeakPolarHBondContact O-CB 3.44Å; V1051-F1479 PolarHBondContact O-N 3.16Å |
| 1052 | L | 81.2 | Confident | 63.5 | Low | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.016 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 120.9 | 176.7 | -172.3 | 69.6 | 0 | 0 | 0 | 108.1 | L912 L915 L971 V1050 L1057 T1434 E1476 Y1478 | L912-L1052 HydrophobicContact CD1-CD1 4.18Å; L912-L1052 HydrophobicContact CD1-CD2 3.72Å; L915-L1052 HydrophobicContact CD2-CB 4.44Å; L915-L1052 HydrophobicContact CD2-CD2 3.97Å; L971-L1052 HydrophobicContact CB-CD2 3.68Å; L971-L1052 HydrophobicContact CD2-CD2 3.76Å; L971-L1052 HydrophobicContact CG-CD2 4.37Å; V1050-L1052 HydrophobicContact CG1-CB 4.21Å; L1052-L1057 VanDerWaalsContact O-CD1 3.32Å; L1052-L1057 WeakPolarHBondContact O-CD1 3.35Å; L1052-T1434 HydrophobicContact CD1-CG2 3.92Å; L1052-E1476 HydrophobicContact CD1-CG 3.9Å; L1052-E1476 HydrophobicContact CG-CG 4.26Å; L1052-Y1478 HydrophobicContact CD1-CD2 4.4Å |
| 1053 | Y | 78.5 | Confident | 66.4 | Low | 141 Ų | 141 | 60.8 Ų | 60.8 | 55% | 0.553 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 101.6 | 165.9 | -167.9 | -88.5 | 0 | 0 | 0 | 107.8 | F1477 | Y1053-F1477 PolarHBondContact N-O 3.35Å; Y1053-F1477 PolarHBondContact O-N 3.09Å |
| 1054 | S | 83.2 | Confident | 69.6 | Low | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.014 | 34% | 0.341 | C | S | . | . | trans | -118.4 | 142.4 | -179.9 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | A1056 L1057 E1476 | S1054-A1056 PolarHBondContact O-N 3.15Å; S1054-A1056 VanDerWaalsContact OG-CB 3.29Å; S1054-A1056 WeakPolarHBondContact OG-CB 3.37Å; S1054-A1056 PolarHBondContact OG-N 2.81Å; S1054-L1057 WeakPolarHBondContact O-CB 3.29Å; S1054-L1057 WeakPolarHBondContact O-CG 3.39Å; S1054-L1057 PolarHBondContact O-N 3.02Å; S1054-E1476 WeakPolarHBondContact CB-OE2 2.9Å; S1054-E1476 PolarHBondContact OG-OE2 2.89Å | ||
| 1055 | P | 80.9 | Confident | 72.6 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 20% | 0.195 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -50.9 | -26.3 | 168.7 | -28.7 | 38 | 0 | 0 | 0 | 112.9 | L1057 S1058 E1474 | P1055-L1057 PolarHBondContact O-N 3.5Å; P1055-L1057 VanDerWaalsContact O-N 3.09Å; P1055-S1058 WeakPolarHBondContact O-CB 3.45Å; P1055-S1058 PolarHBondContact O-N 2.98Å; P1055-S1058 PolarHBondContact O-OG 3.13Å; P1055-E1474 HydrophobicContact CG-CB 3.98Å |
| 1056 | A | 85.1 | Confident | 75.3 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -48.3 | -35.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114 | L971 D972 Q975 R1021 S1054 S1058 Y1059 | L971-A1056 HydrophobicContact CB-CB 4.49Å; L971-A1056 HydrophobicContact CD2-CB 4.09Å; L971-A1056 HydrophobicContact CG-CB 3.87Å; D972-A1056 HydrophobicContact CB-CB 4.03Å; Q975-A1056 PolarHBondContact NE2-O 2.94Å; R1021-A1056 PolarHBondContact NH1-O 2.93Å; S1054-A1056 PolarHBondContact O-N 3.15Å; S1054-A1056 VanDerWaalsContact OG-CB 3.29Å; S1054-A1056 WeakPolarHBondContact OG-CB 3.37Å; S1054-A1056 PolarHBondContact OG-N 2.81Å; A1056-S1058 VanDerWaalsContact C-N 3.28Å; A1056-S1058 PolarHBondContact O-N 3.41Å; A1056-Y1059 WeakPolarHBondContact O-CB 3.38Å; A1056-Y1059 PolarHBondContact O-N 2.69Å |
| 1057 | L | 86.2 | Confident | 78 | Confident | 26 Ų | 26 | 52.7 Ų | 52.7 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -71.8 | -18.3 | -176.2 | -59.3 | 176.3 | 0 | 0 | 0 | 113.5 | R1021 D1022 C1025 L1052 S1054 P1055 Y1059 | R1021-L1057 HydrophobicContact CG-CD2 4.35Å; D1022-L1057 VanDerWaalsContact OD1-CD2 3.29Å; D1022-L1057 WeakPolarHBondContact OD1-CD2 3.17Å; C1025-L1057 HydrophobicContact CB-CD2 4.08Å; L1052-L1057 VanDerWaalsContact O-CD1 3.32Å; L1052-L1057 WeakPolarHBondContact O-CD1 3.35Å; S1054-L1057 WeakPolarHBondContact O-CB 3.29Å; S1054-L1057 WeakPolarHBondContact O-CG 3.39Å; S1054-L1057 PolarHBondContact O-N 3.02Å; P1055-L1057 PolarHBondContact O-N 3.5Å; P1055-L1057 VanDerWaalsContact O-N 3.09Å; L1057-Y1059 PolarHBondContact O-N 2.72Å |
| 1058 | S | 82.7 | Confident | 80.5 | Confident | 98 Ų | 98 | 49.5 Ų | 49.5 | 69% | 0.685 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -65 | -27.7 | 172.5 | 68.5 | 0 | 0 | 0 | 0 | 112.2 | P1055 A1056 T1060 | P1055-S1058 WeakPolarHBondContact O-CB 3.45Å; P1055-S1058 PolarHBondContact O-N 2.98Å; P1055-S1058 PolarHBondContact O-OG 3.13Å; A1056-S1058 VanDerWaalsContact C-N 3.28Å; A1056-S1058 PolarHBondContact O-N 3.41Å; S1058-T1060 PolarHBondContact O-N 2.86Å |
| 1059 | Y | 87.4 | Confident | 82.7 | Confident | 52 Ų | 52 | 50.3 Ų | 50.3 | 20% | 0.204 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -79.2 | 89.4 | 176.7 | -165.7 | -98.9 | 0 | 0 | 0 | 110.3 | L979 V1018 R1021 A1056 L1057 A1063 L1064 D1067 | L979-Y1059 HydrophobicContact CD1-CD1 3.84Å; L979-Y1059 HydrophobicContact CD1-CE1 3.61Å; V1018-Y1059 HydrophobicContact CG2-CD1 4.3Å; V1018-Y1059 HydrophobicContact CG2-CE1 4.47Å; R1021-Y1059 VanDerWaalsContact CZ-O 3.3Å; R1021-Y1059 PolarHBondContact NH1-O 3.04Å; R1021-Y1059 PolarHBondContact NH2-O 2.92Å; A1056-Y1059 WeakPolarHBondContact O-CB 3.38Å; A1056-Y1059 PolarHBondContact O-N 2.69Å; L1057-Y1059 PolarHBondContact O-N 2.72Å; Y1059-A1063 HydrophobicContact CD2-CB 3.97Å; Y1059-A1063 HydrophobicContact CE2-CB 3.89Å; Y1059-A1063 HydrophobicContact CG-CB 4.46Å; Y1059-L1064 HydrophobicContact CE1-CB 3.9Å; Y1059-L1064 HydrophobicContact CE1-CD1 4.27Å; Y1059-L1064 WeakPolarHBondContact OH-CA 3.36Å; Y1059-D1067 WeakPolarHBondContact CE2-OD2 3.38Å; Y1059-D1067 PolarHBondContact OH-OD2 2.97Å |
| 1060 | T | 91.6 | Very high | 84.4 | Confident | 69 Ų | 69 | 51.2 Ų | 51.2 | 42% | 0.423 | 27% | 0.272 | S | S | . | . | trans | -80.8 | 165.9 | -177.3 | 56.8 | 0 | 0 | 0 | 0 | 112.9 | S1058 A1062 A1063 L1064 | S1058-T1060 PolarHBondContact O-N 2.86Å; T1060-A1062 PolarHBondContact O-N 3.01Å; T1060-A1063 WeakPolarHBondContact O-CA 3.47Å; T1060-A1063 VanDerWaalsContact O-CB 3.29Å; T1060-A1063 WeakPolarHBondContact O-CB 3.23Å; T1060-A1063 PolarHBondContact O-N 3.31Å; T1060-A1063 PolarHBondContact OG1-N 2.63Å; T1060-L1064 PolarHBondContact O-N 2.93Å; T1060-L1064 VanDerWaalsContact O-N 3.15Å | ||
| 1061 | E | 88.9 | Confident | 85.8 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 26% | 0.262 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.1 | -36.1 | 175 | -175.2 | 159.6 | -156.7 | 0 | 0 | 112.3 | H1015 V1018 R1019 A1063 L1064 E1065 | H1015-E1061 IonicContact CE1-OE1 3.22Å; H1015-E1061 IonicContact CG-OE1 3.44Å; H1015-E1061 IonicContact ND1-OE1 2.78Å; H1015-E1061 PolarHBondContact ND1-OE1 3.45Å; V1018-E1061 HydrophobicContact CG1-CB 4.12Å; R1019-E1061 IonicContact CZ-OE1 3.56Å; R1019-E1061 IonicContact NE-OE1 3.55Å; R1019-E1061 PolarHBondContact NE-OE1 2.8Å; R1019-E1061 IonicContact NE-OE2 2.78Å; R1019-E1061 PolarHBondContact NE-OE2 3.14Å; R1019-E1061 IonicContact NH2-OE1 3.73Å; R1019-E1061 PolarHBondContact NH2-OE1 3.37Å; E1061-A1063 VanDerWaalsContact C-N 3.28Å; E1061-A1063 PolarHBondContact O-N 3.14Å; E1061-L1064 WeakPolarHBondContact O-CB 3.48Å; E1061-L1064 PolarHBondContact O-N 3.38Å; E1061-E1065 WeakPolarHBondContact O-CG 3.34Å; E1061-E1065 PolarHBondContact O-N 3.32Å |
| 1062 | A | 88.9 | Confident | 86.4 | Confident | 64 Ų | 64 | 53.6 Ų | 53.6 | 53% | 0.529 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -71.8 | -15.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1060 | T1060-A1062 PolarHBondContact O-N 3.01Å |
| 1063 | A | 89.9 | Confident | 86.2 | Confident | 6 Ų | 6 | 57 Ų | 57 | 5% | 0.05 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -75.8 | -48.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y1059 T1060 E1061 E1065 R1066 D1067 | Y1059-A1063 HydrophobicContact CD2-CB 3.97Å; Y1059-A1063 HydrophobicContact CE2-CB 3.89Å; Y1059-A1063 HydrophobicContact CG-CB 4.46Å; T1060-A1063 WeakPolarHBondContact O-CA 3.47Å; T1060-A1063 VanDerWaalsContact O-CB 3.29Å; T1060-A1063 WeakPolarHBondContact O-CB 3.23Å; T1060-A1063 PolarHBondContact O-N 3.31Å; T1060-A1063 PolarHBondContact OG1-N 2.63Å; E1061-A1063 VanDerWaalsContact C-N 3.28Å; E1061-A1063 PolarHBondContact O-N 3.14Å; A1063-E1065 PolarHBondContact O-N 2.64Å; A1063-R1066 PolarHBondContact O-N 3.47Å; A1063-D1067 PolarHBondContact O-N 2.92Å |
| 1064 | L | 93.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 176.8 | 179.3 | 66.9 | 0 | 0 | 0 | 113 | A1014 H1015 V1018 Y1059 T1060 E1061 R1066 D1067 I1068 | A1014-L1064 HydrophobicContact CB-CD1 3.81Å; A1014-L1064 HydrophobicContact CB-CD2 3.69Å; A1014-L1064 HydrophobicContact CB-CG 4.35Å; A1014-L1064 WeakPolarHBondContact O-CD2 3.23Å; H1015-L1064 HydrophobicContact CB-CD2 4.48Å; V1018-L1064 HydrophobicContact CG2-CD2 4.13Å; Y1059-L1064 HydrophobicContact CE1-CB 3.9Å; Y1059-L1064 HydrophobicContact CE1-CD1 4.27Å; Y1059-L1064 WeakPolarHBondContact OH-CA 3.36Å; T1060-L1064 PolarHBondContact O-N 2.93Å; T1060-L1064 VanDerWaalsContact O-N 3.15Å; E1061-L1064 WeakPolarHBondContact O-CB 3.48Å; E1061-L1064 PolarHBondContact O-N 3.38Å; L1064-R1066 VanDerWaalsContact C-N 3.3Å; L1064-R1066 PolarHBondContact O-N 3.23Å; L1064-D1067 PolarHBondContact O-N 3.3Å; L1064-I1068 HydrophobicContact CD1-CD1 3.8Å; L1064-I1068 HydrophobicContact CD1-CG1 4.04Å; L1064-I1068 HydrophobicContact CD2-CD1 4.3Å; L1064-I1068 HydrophobicContact CG-CD1 3.75Å; L1064-I1068 HydrophobicContact CG-CG1 4.32Å; L1064-I1068 WeakPolarHBondContact O-CB 3.38Å; L1064-I1068 WeakPolarHBondContact O-CG1 3.49Å; L1064-I1068 PolarHBondContact O-N 2.88Å |
| 1065 | E | 91.3 | Very high | 85.3 | Confident | 95 Ų | 95 | 60 Ų | 60 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 178.5 | -76.4 | 176.9 | 167.7 | 0 | 0 | 112.6 | H1015 E1061 A1063 T1069 | H1015-E1065 IonicContact CE1-OE1 3.65Å; E1061-E1065 WeakPolarHBondContact O-CG 3.34Å; E1061-E1065 PolarHBondContact O-N 3.32Å; A1063-E1065 PolarHBondContact O-N 2.64Å; E1065-T1069 VanDerWaalsContact O-CB 3.31Å; E1065-T1069 WeakPolarHBondContact O-CB 3.46Å; E1065-T1069 PolarHBondContact O-N 2.9Å; E1065-T1069 PolarHBondContact O-OG1 2.77Å |
| 1066 | R | 89.4 | Confident | 83.9 | Confident | 105 Ų | 105 | 67.8 Ų | 67.8 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 175.9 | 176.4 | -118.6 | -57.8 | 147 | 3 | 111.3 | A1063 L1064 T1069 E1070 | A1063-R1066 PolarHBondContact O-N 3.47Å; L1064-R1066 VanDerWaalsContact C-N 3.3Å; L1064-R1066 PolarHBondContact O-N 3.23Å; R1066-T1069 WeakPolarHBondContact O-CB 3.49Å; R1066-T1069 PolarHBondContact O-N 3.03Å; R1066-T1069 VanDerWaalsContact O-N 3.16Å; R1066-E1070 PolarHBondContact O-N 3.29Å |
| 1067 | D | 89.1 | Confident | 82.1 | Confident | 42 Ų | 42 | 72.8 Ų | 72.8 | 23% | 0.225 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 179.9 | -59.3 | -12.4 | 0 | 0 | 0 | 110.6 | Y1059 A1063 L1064 T1069 E1070 E1071 | Y1059-D1067 WeakPolarHBondContact CE2-OD2 3.38Å; Y1059-D1067 PolarHBondContact OH-OD2 2.97Å; A1063-D1067 PolarHBondContact O-N 2.92Å; L1064-D1067 PolarHBondContact O-N 3.3Å; D1067-T1069 VanDerWaalsContact C-N 3.29Å; D1067-T1069 PolarHBondContact O-N 2.91Å; D1067-E1070 PolarHBondContact O-N 2.87Å; D1067-E1071 WeakPolarHBondContact O-CG 3.26Å; D1067-E1071 PolarHBondContact O-N 2.96Å |
| 1068 | I | 90.3 | Very high | 80.1 | Confident | 18 Ų | 18 | 74.2 Ų | 74.2 | 9% | 0.092 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.8 | -36.7 | 171.8 | -71 | 175.4 | 0 | 0 | 0 | 111.4 | A1011 L1064 N1072 | A1011-I1068 HydrophobicContact CB-CD1 4.17Å; L1064-I1068 HydrophobicContact CD1-CD1 3.8Å; L1064-I1068 HydrophobicContact CD1-CG1 4.04Å; L1064-I1068 HydrophobicContact CD2-CD1 4.3Å; L1064-I1068 HydrophobicContact CG-CD1 3.75Å; L1064-I1068 HydrophobicContact CG-CG1 4.32Å; L1064-I1068 WeakPolarHBondContact O-CB 3.38Å; L1064-I1068 WeakPolarHBondContact O-CG1 3.49Å; L1064-I1068 PolarHBondContact O-N 2.88Å; I1068-N1072 WeakPolarHBondContact CG2-ND2 3.5Å; I1068-N1072 WeakPolarHBondContact O-CB 3.38Å; I1068-N1072 PolarHBondContact O-N 3.4Å; I1068-N1072 PolarHBondContact O-ND2 3.49Å |
| 1069 | T | 87.2 | Confident | 78.1 | Confident | 91 Ų | 91 | 75.3 Ų | 75.3 | 56% | 0.558 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -68.3 | -39.9 | 177.2 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | E1065 R1066 D1067 N1072 A1073 | E1065-T1069 VanDerWaalsContact O-CB 3.31Å; E1065-T1069 WeakPolarHBondContact O-CB 3.46Å; E1065-T1069 PolarHBondContact O-N 2.9Å; E1065-T1069 PolarHBondContact O-OG1 2.77Å; R1066-T1069 WeakPolarHBondContact O-CB 3.49Å; R1066-T1069 PolarHBondContact O-N 3.03Å; R1066-T1069 VanDerWaalsContact O-N 3.16Å; D1067-T1069 VanDerWaalsContact C-N 3.29Å; D1067-T1069 PolarHBondContact O-N 2.91Å; T1069-N1072 PolarHBondContact O-N 2.79Å; T1069-A1073 WeakPolarHBondContact O-CB 3.41Å; T1069-A1073 PolarHBondContact O-N 3.13Å |
| 1070 | E | 84.9 | Confident | 76.1 | Confident | 112 Ų | 112 | 78.6 Ų | 78.6 | 52% | 0.523 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70 | -40.3 | 176.8 | -165.6 | 161 | 172.4 | 0 | 0 | 111.5 | R1066 D1067 N1072 A1073 N1074 | R1066-E1070 PolarHBondContact O-N 3.29Å; D1067-E1070 PolarHBondContact O-N 2.87Å; E1070-N1072 PolarHBondContact O-N 3.48Å; E1070-A1073 PolarHBondContact O-N 3.47Å; E1070-N1074 WeakPolarHBondContact O-CB 3.29Å; E1070-N1074 VanDerWaalsContact O-CG 3.31Å; E1070-N1074 PolarHBondContact O-N 2.82Å; E1070-N1074 VanDerWaalsContact O-N 3.09Å; E1070-N1074 PolarHBondContact O-ND2 3.15Å; E1070-N1074 VanDerWaalsContact O-ND2 3.09Å |
| 1071 | E | 84.3 | Confident | 73.6 | Confident | 31 Ų | 31 | 81.7 Ų | 81.7 | 15% | 0.145 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -54.8 | -50.2 | 169.2 | -74.8 | 177.2 | -166.2 | 0 | 0 | 112.1 | R986 I987 D1067 N1074 H1075 | R986-E1071 IonicContact CZ-OE1 2.65Å; R986-E1071 IonicContact CZ-OE2 3.6Å; R986-E1071 IonicContact NE-OE1 2.64Å; R986-E1071 IonicContact NE-OE2 4Å; R986-E1071 PolarHBondContact NE-OE2 3.31Å; R986-E1071 IonicContact NH2-OE1 3.17Å; R986-E1071 PolarHBondContact NH2-OE1 3.02Å; R986-E1071 IonicContact NH2-OE2 2.68Å; R986-E1071 PolarHBondContact NH2-OE2 2.96Å; I987-E1071 HydrophobicContact CD1-CG 3.89Å; I987-E1071 HydrophobicContact CG1-CB 4.49Å; I987-E1071 HydrophobicContact CG1-CG 4.15Å; D1067-E1071 WeakPolarHBondContact O-CG 3.26Å; D1067-E1071 PolarHBondContact O-N 2.96Å; E1071-N1074 PolarHBondContact O-N 3Å; E1071-H1075 WeakPolarHBondContact O-CB 3.48Å; E1071-H1075 PolarHBondContact O-N 3.03Å; E1071-H1075 PolarHBondContact O-ND1 3.4Å |
| 1072 | N | 79.9 | Confident | 71.3 | Confident | 81 Ų | 81 | 83.9 Ų | 83.9 | 43% | 0.433 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.3 | -33 | -178.8 | -79.4 | -62.3 | 0 | 0 | 0 | 113.1 | I1068 T1069 E1070 | I1068-N1072 WeakPolarHBondContact CG2-ND2 3.5Å; I1068-N1072 WeakPolarHBondContact O-CB 3.38Å; I1068-N1072 PolarHBondContact O-N 3.4Å; I1068-N1072 PolarHBondContact O-ND2 3.49Å; T1069-N1072 PolarHBondContact O-N 2.79Å; E1070-N1072 PolarHBondContact O-N 3.48Å |
| 1073 | A | 78 | Confident | 69.2 | Low | 75 Ų | 75 | 87.4 Ų | 87.4 | 62% | 0.62 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.7 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1069 E1070 | T1069-A1073 WeakPolarHBondContact O-CB 3.41Å; T1069-A1073 PolarHBondContact O-N 3.13Å; E1070-A1073 PolarHBondContact O-N 3.47Å |
| 1074 | N | 75.6 | Confident | 67.1 | Low | 116 Ų | 116 | 94 Ų | 94 | 62% | 0.62 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -76 | -35.5 | 179 | -68.7 | -31.9 | 0 | 0 | 0 | 112.7 | E1070 E1071 | E1070-N1074 WeakPolarHBondContact O-CB 3.29Å; E1070-N1074 VanDerWaalsContact O-CG 3.31Å; E1070-N1074 PolarHBondContact O-N 2.82Å; E1070-N1074 VanDerWaalsContact O-N 3.09Å; E1070-N1074 PolarHBondContact O-ND2 3.15Å; E1070-N1074 VanDerWaalsContact O-ND2 3.09Å; E1071-N1074 PolarHBondContact O-N 3Å |
| 1075 | H | 67 | Low | 65 | Low | 88 Ų | 88 | 94.2 Ų | 94.2 | 41% | 0.407 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -109.6 | 80.2 | -173.7 | -58.7 | 89.1 | 0 | 0 | 0 | 112.6 | E1071 L1077 | E1071-H1075 WeakPolarHBondContact O-CB 3.48Å; E1071-H1075 PolarHBondContact O-N 3.03Å; E1071-H1075 PolarHBondContact O-ND1 3.4Å; H1075-L1077 PolarHBondContact O-N 3.38Å |
| 1076 | K | 51.2 | Low | 63 | Low | 194 Ų | 194 | 93.2 Ų | 93.2 | 84% | 0.843 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 132.6 | 177.6 | -82.1 | -173.8 | 174.7 | 179.2 | 0 | 112.4 | ||
| 1077 | L | 46.3 | Very low | 61.3 | Low | 108 Ų | 108 | 92.7 Ų | 92.7 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 127.6 | 174.5 | -77.4 | 150.2 | 0 | 0 | 0 | 111.7 | H1075 V1079 | H1075-L1077 PolarHBondContact O-N 3.38Å; L1077-V1079 PolarHBondContact O-N 2.76Å |
| 1078 | P | 45.2 | Very low | 59.5 | Low | 57 Ų | 57 | 97 Ų | 97 | 37% | 0.37 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 124.5 | 151.6 | -16.4 | 30.6 | 0 | 0 | 0 | 107.9 | C1001 Y1080 | C1001-P1078 HydrophobicContact CB-CG 4.32Å; P1078-Y1080 HydrophobicContact CB-CE2 4.37Å; P1078-Y1080 PolarHBondContact O-N 2.75Å |
| 1079 | V | 41.2 | Very low | 58 | Low | 121 Ų | 121 | 99.6 Ų | 99.6 | 73% | 0.733 | 53% | 0.525 | S | S | * | . | trans | -72.2 | 109.1 | 169.9 | 179.7 | 0 | 0 | 0 | 0 | 106.7 | L1077 | L1077-V1079 PolarHBondContact O-N 2.76Š| ||
| 1080 | Y | 44.1 | Very low | 56.9 | Low | 120 Ų | 120 | 100.3 Ų | 100.3 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | trans | -82.6 | 116 | 157.2 | -75.1 | -96.8 | 0 | 0 | 0 | 105.9 | P1078 D1082 L1255 | P1078-Y1080 HydrophobicContact CB-CE2 4.37Å; P1078-Y1080 PolarHBondContact O-N 2.75Å; Y1080-D1082 PolarHBondContact O-N 2.69Å; Y1080-L1255 HydrophobicContact CE1-CD1 3.79Å | ||
| 1081 | D | 39.8 | Very low | 55.8 | Low | 135 Ų | 135 | 100.7 Ų | 100.7 | 72% | 0.722 | 54% | 0.537 | S | S | * | . | trans | -64.5 | 118.4 | 171.3 | -68 | -57.3 | 0 | 0 | 0 | 108.7 | E1083 | D1081-E1083 PolarHBondContact O-N 3.24Š| ||
| 1082 | D | 40.8 | Very low | 55.1 | Low | 101 Ų | 101 | 102.1 Ų | 102.1 | 54% | 0.54 | 55% | 0.545 | S | S | . | . | trans | -72.4 | 74 | 169.6 | -83.9 | -51.2 | 0 | 0 | 0 | 107.8 | Y1080 N1084 | Y1080-D1082 PolarHBondContact O-N 2.69Å; D1082-N1084 PolarHBondContact O-N 3.23Å | ||
| 1083 | E | 44.5 | Very low | 54.5 | Low | 138 Ų | 138 | 101.8 Ų | 101.8 | 65% | 0.645 | 55% | 0.549 | S | S | * | . | trans | -59.1 | 104 | 167.2 | -77.2 | -163.5 | 147.3 | 0 | 0 | 108.4 | D1081 G1085 | D1081-E1083 PolarHBondContact O-N 3.24Å; E1083-G1085 PolarHBondContact O-N 3.05Å | ||
| 1084 | N | 45.9 | Very low | 53.4 | Low | 144 Ų | 144 | 106.8 Ų | 106.8 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | trans | -60.6 | 111.3 | 175.1 | -70.2 | -69.7 | 0 | 0 | 0 | 108.3 | D1082 E1086 | D1082-N1084 PolarHBondContact O-N 3.23Å; N1084-E1086 PolarHBondContact O-N 3.31Å | ||
| 1085 | G | 48.5 | Very low | 52.8 | Low | 7 Ų | 7 | 102.9 Ų | 102.9 | 7% | 0.072 | 55% | 0.553 | C | S | . | * | S | Bend | trans | -72 | 50.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | E1083 R1205 | E1083-G1085 PolarHBondContact O-N 3.05Å; G1085-R1205 VanDerWaalsContact O-CZ 3.25Å; G1085-R1205 PolarHBondContact O-NE 3.44Å; G1085-R1205 PolarHBondContact O-NH2 3.33Å |
| 1086 | E | 51 | Low | 52.9 | Low | 74 Ų | 74 | 100.6 Ų | 100.6 | 35% | 0.346 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -136.7 | 116.7 | 160.1 | -104.2 | 162.8 | 171.3 | 0 | 0 | 106 | N1084 T1088 R1131 R1205 | N1084-E1086 PolarHBondContact O-N 3.31Å; E1086-T1088 PolarHBondContact O-N 2.88Å; E1086-R1131 IonicContact OE1-CZ 2.71Å; E1086-R1131 IonicContact OE1-NH1 3.69Å; E1086-R1131 PolarHBondContact OE1-NH1 3.46Å; E1086-R1205 VanDerWaalsContact CD-NH2 3.26Å; E1086-R1205 IonicContact OE1-NH2 3.96Å; E1086-R1205 IonicContact OE2-NH2 3.92Å; E1086-R1205 PolarHBondContact OE2-NH2 2.91Å; E1086-R1205 VanDerWaalsContact OE2-NH2 3.13Å |
| 1087 | E | 52.3 | Low | 54.1 | Low | 93 Ų | 93 | 94.1 Ų | 94.1 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | trans | -54.3 | 135.1 | 177.2 | -68.2 | 176.8 | 93 | 0 | 0 | 110.6 | L1089 R1180 G1209 | E1087-L1089 PolarHBondContact O-N 3.35Å; E1087-R1180 IonicContact OE1-NH2 2.66Å; E1087-R1180 PolarHBondContact OE1-NH2 3.1Å; E1087-R1180 IonicContact OE2-CZ 3.32Å; E1087-R1180 IonicContact OE2-NE 2.79Å; E1087-R1180 IonicContact OE2-NH2 3.14Å; E1087-R1180 PolarHBondContact OE2-NH2 2.93Å; E1087-G1209 VanDerWaalsContact OE2-CA 3.29Å; E1087-G1209 WeakPolarHBondContact OE2-CA 3.46Å; E1087-G1209 PolarHBondContact OE2-N 3.4Å | ||
| 1088 | T | 51.9 | Low | 55.8 | Low | 134 Ų | 134 | 93.6 Ų | 93.6 | 82% | 0.822 | 52% | 0.516 | S | S | * | . | trans | -56.1 | 110.1 | 166.6 | -45.7 | 0 | 0 | 0 | 0 | 108.4 | E1086 N1090 | E1086-T1088 PolarHBondContact O-N 2.88Å; T1088-N1090 PolarHBondContact O-N 3.43Å; T1088-N1090 VanDerWaalsContact O-N 3.08Å | ||
| 1089 | L | 59 | Low | 57.6 | Low | 72 Ų | 72 | 93 Ų | 93 | 38% | 0.377 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 116.3 | -176.3 | -71.5 | 175.2 | 0 | 0 | 0 | 110.1 | E1087 | E1087-L1089 PolarHBondContact O-N 3.35Š|
| 1090 | N | 62.9 | Low | 59.5 | Low | 105 Ų | 105 | 95.9 Ų | 95.9 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 150.7 | 171.8 | -66.5 | -12.5 | 0 | 0 | 0 | 110.7 | T1088 R1134 | T1088-N1090 PolarHBondContact O-N 3.43Å; T1088-N1090 VanDerWaalsContact O-N 3.08Å; N1090-R1134 PolarHBondContact O-NH1 3.29Å |
| 1091 | P | 62.7 | Low | 61.5 | Low | 120 Ų | 120 | 95 Ų | 95 | 78% | 0.779 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -52 | 157.5 | 167.8 | -25.8 | 35.5 | 0 | 0 | 0 | 112.3 | ||
| 1092 | L | 68.4 | Low | 63.8 | Low | 61 Ų | 61 | 88.8 Ų | 88.8 | 32% | 0.319 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 148.9 | 171.1 | -72.9 | 153.8 | 0 | 0 | 0 | 109.9 | E1096 E1098 | L1092-E1096 HydrophobicContact CB-CB 4.22Å; L1092-E1096 HydrophobicContact CD2-CB 3.75Å; L1092-E1098 HydrophobicContact CD1-CB 4.1Å |
| 1093 | S | 67.8 | Low | 65.9 | Low | 74 Ų | 74 | 90.4 Ų | 90.4 | 52% | 0.517 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 149.2 | 166.6 | -39.7 | 0 | 0 | 0 | 0 | 109.6 | G1095 E1096 | S1093-G1095 PolarHBondContact O-N 3.27Å; S1093-G1095 VanDerWaalsContact O-N 3.16Å; S1093-E1096 VanDerWaalsContact CB-OE2 3.24Å; S1093-E1096 WeakPolarHBondContact CB-OE2 3.35Å; S1093-E1096 PolarHBondContact N-OE2 3.47Å; S1093-E1096 PolarHBondContact O-N 2.91Å; S1093-E1096 PolarHBondContact OG-OE2 3.48Å |
| 1094 | D | 54.8 | Low | 67.6 | Low | 181 Ų | 181 | 84.2 Ų | 84.2 | 97% | 0.968 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 122.8 | 169.9 | -78.4 | -50.8 | 0 | 0 | 0 | 110.1 | ||
| 1095 | G | 62.9 | Low | 69.1 | Low | 34 Ų | 34 | 84 Ų | 84 | 35% | 0.351 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | -1.2 | -173 | 0 | 0 | 0 | 0 | 0 | 115.8 | S1093 E1139 | S1093-G1095 PolarHBondContact O-N 3.27Å; S1093-G1095 VanDerWaalsContact O-N 3.16Å; G1095-E1139 PolarHBondContact O-N 3.22Å |
| 1096 | E | 70.4 | Confident | 70.5 | Confident | 39 Ų | 39 | 86.9 Ų | 86.9 | 18% | 0.182 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 119.6 | 169.2 | -73.1 | -169.4 | 103.6 | 0 | 0 | 112.3 | L1092 S1093 S1136 R1137 V1138 | L1092-E1096 HydrophobicContact CB-CB 4.22Å; L1092-E1096 HydrophobicContact CD2-CB 3.75Å; S1093-E1096 VanDerWaalsContact CB-OE2 3.24Å; S1093-E1096 WeakPolarHBondContact CB-OE2 3.35Å; S1093-E1096 PolarHBondContact N-OE2 3.47Å; S1093-E1096 PolarHBondContact O-N 2.91Å; S1093-E1096 PolarHBondContact OG-OE2 3.48Å; E1096-S1136 WeakPolarHBondContact OE1-CB 3.3Å; E1096-S1136 PolarHBondContact OE1-OG 2.77Å; E1096-R1137 WeakPolarHBondContact CA-O 3.36Å; E1096-V1138 HydrophobicContact CG-CG2 4.24Å |
| 1097 | C | 76 | Confident | 71.8 | Confident | 58 Ų | 58 | 87 Ų | 87 | 39% | 0.392 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 136.3 | 173.8 | -71.2 | 0 | 0 | 0 | 0 | 111.3 | S1136 R1137 | C1097-S1136 CarbonylContact O-C 3.59Å; C1097-S1136 WeakPolarHBondContact O-CA 3.39Å; C1097-R1137 PolarHBondContact N-O 3.5Å; C1097-R1137 PolarHBondContact O-N 3.2Å |
| 1098 | E | 81.5 | Confident | 73.5 | Confident | 98 Ų | 98 | 85.1 Ų | 85.1 | 46% | 0.458 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 130.2 | 178.8 | -154.8 | 165.5 | 135.8 | 0 | 0 | 112.1 | L1092 R1134 I1135 | L1092-E1098 HydrophobicContact CD1-CB 4.1Å; E1098-R1134 HydrophobicContact CG-CG 4.11Å; E1098-R1134 IonicContact OE2-CZ 3.47Å; E1098-R1134 IonicContact OE2-NE 2.65Å; E1098-R1134 PolarHBondContact OE2-NE 3.4Å; E1098-R1134 IonicContact OE2-NH2 3.59Å; E1098-R1134 PolarHBondContact OE2-NH2 3.1Å; E1098-I1135 WeakPolarHBondContact CG-O 3.08Å |
| 1099 | L | 83.8 | Confident | 75.3 | Confident | 44 Ų | 44 | 78.8 Ų | 78.8 | 23% | 0.23 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -103.7 | 144.1 | 176.3 | -63.1 | -179.7 | 0 | 0 | 0 | 110.7 | V1111 I1135 R1137 I1177 | L1099-V1111 WeakPolarHBondContact O-CG2 3.49Å; L1099-I1135 HydrophobicContact CB-CB 4.24Å; L1099-I1135 HydrophobicContact CB-CG2 3.81Å; L1099-I1135 HydrophobicContact CD1-CG2 4.25Å; L1099-I1135 PolarHBondContact N-O 3.45Å; L1099-R1137 HydrophobicContact CD1-CB 3.93Å; L1099-R1137 HydrophobicContact CD2-CB 4.43Å; L1099-R1137 HydrophobicContact CG-CB 3.99Å; L1099-I1177 HydrophobicContact CD1-CD1 3.7Å; L1099-I1177 HydrophobicContact CD1-CG1 3.96Å; L1099-I1177 HydrophobicContact CD1-CG2 4.09Å |
| 1100 | K | 81.3 | Confident | 76.8 | Confident | 182 Ų | 182 | 77.4 Ų | 77.4 | 79% | 0.791 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -80.5 | -25.1 | 174.5 | -64.7 | -177.6 | 179.9 | 178.1 | 0 | 112.9 | H1110 V1111 | K1100-H1110 WeakPolarHBondContact O-CA 3.44Å; K1100-V1111 PolarHBondContact O-N 3.02Å; K1100-V1111 VanDerWaalsContact O-N 3.13Å |
| 1101 | H | 85.6 | Confident | 78 | Confident | 100 Ų | 100 | 75 Ų | 75 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 162.5 | 178.6 | 62 | 77.4 | 0 | 0 | 0 | 112 | T1108 Y1109 | H1101-T1108 HydrophobicContact CB-CG2 4.05Å; H1101-Y1109 CarbonylContact C-O 3.58Å; H1101-Y1109 WeakPolarHBondContact CA-O 3.44Å; H1101-Y1109 WeakPolarHBondContact CB-O 3.42Å |
| 1102 | F | 88.6 | Confident | 79.1 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 3% | 0.026 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 166.2 | 163.9 | 65.1 | -92 | 0 | 0 | 0 | 109.8 | A1104 T1108 Y1109 I1132 I1135 I1177 V1179 I1214 I1217 | F1102-A1104 HydrophobicContact CD2-CB 4.01Å; F1102-A1104 HydrophobicContact CE2-CB 3.75Å; F1102-T1108 CarbonylContact O-C 3.5Å; F1102-T1108 WeakPolarHBondContact O-CA 3.48Å; F1102-Y1109 HydrophobicContact CD2-CD2 4.33Å; F1102-Y1109 AromaticContact CE2-CD2 3.6Å; F1102-Y1109 HydrophobicContact CE2-CD2 3.6Å; F1102-Y1109 HydrophobicContact CE2-CE2 4.44Å; F1102-Y1109 AromaticContact CE2-CG 3.92Å; F1102-Y1109 HydrophobicContact CE2-CG 3.92Å; F1102-Y1109 VanDerWaalsContact CZ-CB 3.46Å; F1102-Y1109 AromaticContact CZ-CD2 4Å; F1102-Y1109 HydrophobicContact CZ-CD2 4Å; F1102-Y1109 AromaticContact CZ-CG 3.82Å; F1102-Y1109 HydrophobicContact CZ-CG 3.82Å; F1102-Y1109 PolarHBondContact N-O 3.35Å; F1102-Y1109 PolarHBondContact O-N 3.46Å; F1102-I1132 HydrophobicContact CE1-CD1 3.94Å; F1102-I1132 HydrophobicContact CZ-CD1 4.14Å; F1102-I1135 HydrophobicContact CD1-CD1 3.67Å; F1102-I1135 HydrophobicContact CD1-CG1 3.9Å; F1102-I1135 HydrophobicContact CD1-CG2 3.81Å; F1102-I1135 HydrophobicContact CE1-CD1 4Å; F1102-I1135 HydrophobicContact CE1-CG1 4.07Å; F1102-I1177 HydrophobicContact CB-CD1 4.24Å; F1102-I1177 HydrophobicContact CB-CG2 4.38Å; F1102-V1179 HydrophobicContact CD1-CG2 3.94Å; F1102-V1179 HydrophobicContact CE1-CB 4.37Å; F1102-V1179 HydrophobicContact CE1-CG1 3.88Å; F1102-V1179 HydrophobicContact CE1-CG2 3.48Å; F1102-V1179 VanDerWaalsContact CE1-CG2 3.48Å; F1102-V1179 HydrophobicContact CZ-CG1 4.39Å; F1102-V1179 HydrophobicContact CZ-CG2 3.92Å; F1102-I1214 HydrophobicContact CD2-CG1 4.43Å; F1102-I1214 HydrophobicContact CD2-CG2 3.83Å; F1102-I1214 HydrophobicContact CE2-CG2 3.9Å; F1102-I1217 HydrophobicContact CE1-CD1 4.39Å; F1102-I1217 HydrophobicContact CE2-CD1 4.25Å; F1102-I1217 HydrophobicContact CZ-CD1 3.54Å |
| 1103 | E | 83.7 | Confident | 80.2 | Confident | 134 Ų | 134 | 66.8 Ų | 66.8 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.7 | 173.4 | -162.6 | -175.7 | 146.9 | 0 | 0 | 111 | Q1107 | E1103-Q1107 WeakPolarHBondContact CA-O 3.27Å |
| 1104 | A | 81.3 | Confident | 81.4 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 138 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F1102 G1106 Q1107 Y1109 I1214 | F1102-A1104 HydrophobicContact CD2-CB 4.01Å; F1102-A1104 HydrophobicContact CE2-CB 3.75Å; A1104-G1106 PolarHBondContact O-N 2.97Å; A1104-Q1107 PolarHBondContact N-O 2.84Å; A1104-Q1107 PolarHBondContact O-N 3.3Å; A1104-Y1109 HydrophobicContact CB-CD2 4.12Å; A1104-Y1109 HydrophobicContact CB-CE2 3.86Å; A1104-I1214 HydrophobicContact CB-CG2 3.31Å |
| 1105 | R | 77.7 | Confident | 83.2 | Confident | 140 Ų | 140 | 54.9 Ų | 54.9 | 53% | 0.528 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 32.8 | 177.3 | -52.4 | -176.6 | -178.9 | -155.3 | 2.3 | 113.4 | N1215 I1217 M1218 | R1105-N1215 PolarHBondContact NH2-O 3.1Å; R1105-I1217 WeakPolarHBondContact CD-O 3.39Å; R1105-I1217 PolarHBondContact NE-O 3.11Å; R1105-M1218 PolarHBondContact NH1-SD 3.33Å; R1105-M1218 PolarHBondContact NH2-SD 3.45Å |
| 1106 | G | 76.4 | Confident | 84.5 | Confident | 66 Ų | 66 | 54.9 Ų | 54.9 | 68% | 0.68 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 22.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1104 | A1104-G1106 PolarHBondContact O-N 2.97Š|
| 1107 | Q | 79.5 | Confident | 85.5 | Confident | 78 Ų | 78 | 53 Ų | 53 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 137.4 | 177.8 | -63.6 | -169.3 | 38.3 | 0 | 0 | 112.1 | E1103 A1104 Y1109 R1220 | E1103-Q1107 WeakPolarHBondContact CA-O 3.27Å; A1104-Q1107 PolarHBondContact N-O 2.84Å; A1104-Q1107 PolarHBondContact O-N 3.3Å; Q1107-Y1109 HydrophobicContact CB-CD2 4.34Å; Q1107-Y1109 HydrophobicContact CB-CE2 3.68Å; Q1107-Y1109 VanDerWaalsContact O-CD2 3.23Å; Q1107-Y1109 WeakPolarHBondContact O-CD2 3.3Å; Q1107-Y1109 WeakPolarHBondContact O-CE2 3.43Å; Q1107-R1220 VanDerWaalsContact OE1-NE 3.16Å |
| 1108 | T | 87.2 | Confident | 85.9 | Confident | 52 Ų | 52 | 55 Ų | 55 | 32% | 0.319 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 105.1 | 178.5 | -39.5 | 0 | 0 | 0 | 0 | 111.4 | H1101 F1102 H1110 R1220 | H1101-T1108 HydrophobicContact CB-CG2 4.05Å; F1102-T1108 CarbonylContact O-C 3.5Å; F1102-T1108 WeakPolarHBondContact O-CA 3.48Å; T1108-H1110 PolarHBondContact O-ND1 2.94Å; T1108-R1220 VanDerWaalsContact O-CZ 3.26Å; T1108-R1220 PolarHBondContact O-NH1 3.44Å; T1108-R1220 PolarHBondContact O-NH2 3.12Å |
| 1109 | Y | 89.3 | Confident | 85.8 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 138 | -178.6 | -62.8 | -98.8 | 0 | 0 | 0 | 110.5 | H1101 F1102 A1104 Q1107 D1113 V1115 I1217 G1219 R1220 | H1101-Y1109 CarbonylContact C-O 3.58Å; H1101-Y1109 WeakPolarHBondContact CA-O 3.44Å; H1101-Y1109 WeakPolarHBondContact CB-O 3.42Å; F1102-Y1109 HydrophobicContact CD2-CD2 4.33Å; F1102-Y1109 AromaticContact CE2-CD2 3.6Å; F1102-Y1109 HydrophobicContact CE2-CD2 3.6Å; F1102-Y1109 HydrophobicContact CE2-CE2 4.44Å; F1102-Y1109 AromaticContact CE2-CG 3.92Å; F1102-Y1109 HydrophobicContact CE2-CG 3.92Å; F1102-Y1109 VanDerWaalsContact CZ-CB 3.46Å; F1102-Y1109 AromaticContact CZ-CD2 4Å; F1102-Y1109 HydrophobicContact CZ-CD2 4Å; F1102-Y1109 AromaticContact CZ-CG 3.82Å; F1102-Y1109 HydrophobicContact CZ-CG 3.82Å; F1102-Y1109 PolarHBondContact N-O 3.35Å; F1102-Y1109 PolarHBondContact O-N 3.46Å; A1104-Y1109 HydrophobicContact CB-CD2 4.12Å; A1104-Y1109 HydrophobicContact CB-CE2 3.86Å; Q1107-Y1109 HydrophobicContact CB-CD2 4.34Å; Q1107-Y1109 HydrophobicContact CB-CE2 3.68Å; Q1107-Y1109 VanDerWaalsContact O-CD2 3.23Å; Q1107-Y1109 WeakPolarHBondContact O-CD2 3.3Å; Q1107-Y1109 WeakPolarHBondContact O-CE2 3.43Å; Y1109-D1113 WeakPolarHBondContact CA-OD2 2.93Å; Y1109-V1115 HydrophobicContact CD1-CG1 3.59Å; Y1109-V1115 HydrophobicContact CE1-CG1 3.74Å; Y1109-I1217 HydrophobicContact CD1-CG2 4.24Å; Y1109-I1217 HydrophobicContact CE1-CG2 3.71Å; Y1109-I1217 HydrophobicContact CE2-CG2 4.33Å; Y1109-G1219 WeakPolarHBondContact OH-CA 3.25Å; Y1109-R1220 HydrophobicContact CD1-CG 3.85Å; Y1109-R1220 HydrophobicContact CE1-CG 3.42Å; Y1109-R1220 VanDerWaalsContact CE1-CG 3.42Å |
| 1110 | H | 90.1 | Very high | 85.4 | Confident | 44 Ų | 44 | 54.1 Ų | 54.1 | 20% | 0.204 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 161.9 | -176.7 | -64.4 | 71.2 | 0 | 0 | 0 | 112.3 | K1100 T1108 G1112 D1113 | K1100-H1110 WeakPolarHBondContact O-CA 3.44Å; T1108-H1110 PolarHBondContact O-ND1 2.94Å; H1110-G1112 PolarHBondContact O-N 2.77Å; H1110-D1113 PolarHBondContact N-OD2 3.15Å; H1110-D1113 WeakPolarHBondContact O-CB 3.39Å; H1110-D1113 PolarHBondContact O-N 3.37Å; H1110-D1113 VanDerWaalsContact O-N 3.09Å |
| 1111 | V | 88.4 | Confident | 84.9 | Confident | 54 Ų | 54 | 52 Ų | 52 | 33% | 0.327 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 130.6 | 164.1 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | L1099 K1100 I1135 | L1099-V1111 WeakPolarHBondContact O-CG2 3.49Å; K1100-V1111 PolarHBondContact O-N 3.02Å; K1100-V1111 VanDerWaalsContact O-N 3.13Å; V1111-I1135 HydrophobicContact CG2-CB 4.46Å; V1111-I1135 HydrophobicContact CG2-CD1 3.77Å; V1111-I1135 HydrophobicContact CG2-CG1 4.01Å |
| 1112 | G | 86.9 | Confident | 83.8 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 8% | 0.082 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.5 | -19 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | H1110 I1132 P1267 | H1110-G1112 PolarHBondContact O-N 2.77Å; G1112-I1132 VanDerWaalsContact CA-O 3.31Å; G1112-I1132 WeakPolarHBondContact CA-O 3.38Å; G1112-I1132 PolarHBondContact N-O 2.93Å; G1112-P1267 WeakPolarHBondContact O-CG 3.44Å |
| 1113 | D | 91.4 | Very high | 82.8 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | trans | -64.2 | 138.2 | -179.6 | -73.7 | 5.2 | 0 | 0 | 0 | 112.4 | Y1109 H1110 I1132 R1220 P1267 T1268 | Y1109-D1113 WeakPolarHBondContact CA-OD2 2.93Å; H1110-D1113 PolarHBondContact N-OD2 3.15Å; H1110-D1113 WeakPolarHBondContact O-CB 3.39Å; H1110-D1113 PolarHBondContact O-N 3.37Å; H1110-D1113 VanDerWaalsContact O-N 3.09Å; D1113-I1132 HydrophobicContact CB-CD1 4.21Å; D1113-I1132 WeakPolarHBondContact O-CG1 3.3Å; D1113-I1132 PolarHBondContact O-N 2.99Å; D1113-R1220 IonicContact OD2-CZ 2.69Å; D1113-R1220 IonicContact OD2-NH1 3.59Å; D1113-R1220 PolarHBondContact OD2-NH1 2.76Å; D1113-P1267 HydrophobicContact CB-CB 4.42Å; D1113-P1267 WeakPolarHBondContact OD1-CB 3.23Å; D1113-T1268 PolarHBondContact OD1-N 3.1Å | ||
| 1114 | Y | 93 | Very high | 81.9 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 135.4 | 171.6 | -75.1 | -90 | 0 | 0 | 0 | 109.8 | G1130 R1131 Y1184 R1220 C1221 L1222 V1223 P1267 | Y1114-G1130 CarbonylContact C-O 3.19Å; Y1114-G1130 WeakPolarHBondContact CA-O 3.35Å; Y1114-R1131 HydrophobicContact CD1-CB 3.75Å; Y1114-R1131 HydrophobicContact CD1-CG 4.13Å; Y1114-R1131 HydrophobicContact CD2-CG 4.34Å; Y1114-R1131 HydrophobicContact CE1-CB 3.62Å; Y1114-R1131 HydrophobicContact CE1-CG 3.91Å; Y1114-R1131 HydrophobicContact CE2-CG 4.13Å; Y1114-R1131 HydrophobicContact CG-CB 4.38Å; Y1114-R1131 HydrophobicContact CG-CG 4.36Å; Y1114-Y1184 HydrophobicContact CE1-CD2 4.41Å; Y1114-Y1184 AromaticContact CE1-CE2 3.75Å; Y1114-Y1184 HydrophobicContact CE1-CE2 3.75Å; Y1114-Y1184 AromaticContact CE1-CZ 3.96Å; Y1114-Y1184 PolarHBondContact OH-OH 2.89Å; Y1114-R1220 WeakPolarHBondContact O-CA 3.45Å; Y1114-C1221 VanDerWaalsContact CB-O 3.3Å; Y1114-C1221 WeakPolarHBondContact CB-O 3.44Å; Y1114-C1221 PolarHBondContact O-N 2.94Å; Y1114-L1222 HydrophobicContact CD2-CD1 3.84Å; Y1114-L1222 HydrophobicContact CE2-CD1 4.21Å; Y1114-V1223 HydrophobicContact CD1-CB 3.94Å; Y1114-V1223 HydrophobicContact CD1-CG2 3.62Å; Y1114-V1223 HydrophobicContact CE1-CB 3.46Å; Y1114-V1223 VanDerWaalsContact CE1-CB 3.46Å; Y1114-V1223 HydrophobicContact CE1-CG2 3.54Å; Y1114-P1267 HydrophobicContact CD2-CG 3.86Å; Y1114-P1267 HydrophobicContact CE2-CG 4.35Å |
| 1115 | V | 92.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 147.9 | -172.1 | -66 | 0 | 0 | 0 | 0 | 113 | Y1109 I1117 G1130 I1132 L1181 I1217 G1219 C1221 | Y1109-V1115 HydrophobicContact CD1-CG1 3.59Å; Y1109-V1115 HydrophobicContact CE1-CG1 3.74Å; V1115-I1117 HydrophobicContact CG2-CG1 4.48Å; V1115-G1130 PolarHBondContact N-O 2.95Å; V1115-G1130 PolarHBondContact O-N 2.85Å; V1115-G1130 VanDerWaalsContact O-N 3.09Å; V1115-I1132 HydrophobicContact CG1-CD1 3.91Å; V1115-I1132 HydrophobicContact CG1-CG1 4.31Å; V1115-I1132 HydrophobicContact CG2-CG1 4.29Å; V1115-L1181 HydrophobicContact CG2-CD1 3.97Å; V1115-L1181 HydrophobicContact CG2-CD2 3.81Å; V1115-I1217 HydrophobicContact CB-CG2 4.04Å; V1115-I1217 HydrophobicContact CG1-CG2 3.91Å; V1115-I1217 HydrophobicContact CG2-CG1 4.47Å; V1115-G1219 WeakPolarHBondContact CA-O 3.4Å; V1115-C1221 VanDerWaalsContact C-SG 3.5Å |
| 1116 | Y | 90.9 | Very high | 81.2 | Confident | 35 Ų | 35 | 60.4 Ų | 60.4 | 14% | 0.137 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 133.4 | 161.8 | -70.9 | -60.1 | 0 | 0 | 0 | 110.2 | C1127 I1129 M1218 G1219 R1220 C1221 D1241 F1243 | Y1116-C1127 HydrophobicContact CD1-CB 4.02Å; Y1116-C1127 HydrophobicContact CG-CB 4.41Å; Y1116-I1129 HydrophobicContact CD1-CG1 4.44Å; Y1116-I1129 HydrophobicContact CE1-CG1 4.46Å; Y1116-M1218 PolarHBondContact O-N 3.35Å; Y1116-G1219 PolarHBondContact N-O 2.69Å; Y1116-R1220 WeakPolarHBondContact CD2-O 3.43Å; Y1116-R1220 WeakPolarHBondContact CE2-O 3.41Å; Y1116-C1221 HydrophobicContact CD1-CB 4.27Å; Y1116-C1221 HydrophobicContact CD2-CB 4.05Å; Y1116-C1221 HydrophobicContact CE1-CB 4Å; Y1116-C1221 HydrophobicContact CE2-CB 3.79Å; Y1116-C1221 HydrophobicContact CG-CB 4.31Å; Y1116-D1241 HydrophobicContact CE2-CB 4.17Å; Y1116-D1241 WeakPolarHBondContact CE2-OD1 3.43Å; Y1116-D1241 WeakPolarHBondContact OH-CA 3.5Å; Y1116-D1241 PolarHBondContact OH-OD1 3.2Å; Y1116-F1243 AromaticContact CE1-CE2 3.7Å; Y1116-F1243 HydrophobicContact CE1-CE2 3.7Å; Y1116-F1243 AromaticContact CE1-CZ 3.92Å; Y1116-F1243 HydrophobicContact CE1-CZ 3.92Å; Y1116-F1243 AromaticContact CZ-CE2 3.92Å; Y1116-F1243 WeakPolarHBondContact OH-CE2 3.08Å |
| 1117 | I | 90.5 | Very high | 81.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 138.6 | 178.2 | -42.8 | 159.7 | 0 | 0 | 0 | 107.9 | V1115 M1120 C1127 H1128 L1181 M1183 V1212 | V1115-I1117 HydrophobicContact CG2-CG1 4.48Å; I1117-M1120 HydrophobicContact CG2-CG 4.33Å; I1117-M1120 HydrophobicContact CG2-SD 4.16Å; I1117-C1127 CarbonylContact O-C 3.25Å; I1117-C1127 WeakPolarHBondContact O-CA 3.48Å; I1117-C1127 WeakPolarHBondContact O-CB 3.11Å; I1117-H1128 HydrophobicContact CB-CB 4.31Å; I1117-H1128 HydrophobicContact CD1-CB 4.12Å; I1117-H1128 PolarHBondContact N-O 2.78Å; I1117-H1128 PolarHBondContact O-N 2.87Å; I1117-H1128 VanDerWaalsContact O-N 3.08Å; I1117-L1181 HydrophobicContact CD1-CD1 3.37Å; I1117-L1181 HydrophobicContact CG1-CD1 3.52Å; I1117-M1183 HydrophobicContact CD1-CE 3.64Å; I1117-M1183 HydrophobicContact CD1-SD 3.39Å; I1117-M1183 WeakPolarHBondContact CD1-SD 3.46Å; I1117-V1212 HydrophobicContact CG2-CG1 3.98Å |
| 1118 | E | 84.5 | Confident | 82 | Confident | 98 Ų | 98 | 55.6 Ų | 55.6 | 46% | 0.458 | 30% | 0.299 | S | S | . | . | trans | -52.4 | 140.7 | 167.6 | -170.4 | 165.9 | -153.5 | 0 | 0 | 110.9 | M1120 Q1216 M1218 | E1118-M1120 PolarHBondContact O-N 3.1Å; E1118-M1120 VanDerWaalsContact O-N 3.12Å; E1118-Q1216 PolarHBondContact N-O 2.78Å; E1118-M1218 HydrophobicContact CB-CG 4.18Å; E1118-M1218 HydrophobicContact CB-SD 4.38Å | ||
| 1119 | P | 80.1 | Confident | 82.1 | Confident | 48 Ų | 48 | 53.2 Ų | 53.2 | 31% | 0.312 | 28% | 0.284 | S | S | . | . | trans | -59.8 | 118.5 | -174.8 | -23.7 | 33.6 | 0 | 0 | 0 | 112.7 | R1121 V1124 | P1119-R1121 VanDerWaalsContact C-N 3.25Å; P1119-R1121 PolarHBondContact O-N 3.45Å; P1119-V1124 WeakPolarHBondContact CB-O 3.08Å | ||
| 1120 | M | 73.9 | Confident | 82.2 | Confident | 77 Ų | 77 | 53.1 Ų | 53.1 | 38% | 0.379 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -83 | -3.5 | -174.8 | -62.2 | 173.4 | 75.5 | 0 | 0 | 112.3 | I1117 E1118 H1128 M1183 E1210 | I1117-M1120 HydrophobicContact CG2-CG 4.33Å; I1117-M1120 HydrophobicContact CG2-SD 4.16Å; E1118-M1120 PolarHBondContact O-N 3.1Å; E1118-M1120 VanDerWaalsContact O-N 3.12Å; M1120-H1128 PolarHBondContact N-CD2 3.21Å; M1120-H1128 VanDerWaalsContact N-CD2 3.26Å; M1120-H1128 PolarHBondContact N-NE2 3.06Å; M1120-M1183 HydrophobicContact SD-CE 4.13Å; M1120-E1210 HydrophobicContact CE-CB 4.24Å; M1120-E1210 HydrophobicContact CE-CG 4Å; M1120-E1210 HydrophobicContact SD-CG 4.39Å |
| 1121 | R | 70.7 | Confident | 82.3 | Confident | 136 Ų | 136 | 52.1 Ų | 52.1 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -131.5 | 129.5 | 179 | -61.4 | 178.8 | -174.5 | 156.2 | 3.9 | 109.4 | P1119 N1123 V1124 | P1119-R1121 VanDerWaalsContact C-N 3.25Å; P1119-R1121 PolarHBondContact O-N 3.45Å; R1121-N1123 PolarHBondContact O-N 3.12Å; R1121-V1124 HydrophobicContact CB-CG2 4.14Å; R1121-V1124 PolarHBondContact O-N 2.78Å |
| 1122 | P | 63.3 | Low | 82.5 | Confident | 134 Ų | 134 | 49.6 Ų | 49.6 | 87% | 0.87 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.6 | -173 | 26.1 | -35.6 | 0 | 0 | 0 | 114.3 | ||
| 1123 | N | 68.1 | Low | 82.6 | Confident | 152 Ų | 152 | 50.4 Ų | 50.4 | 81% | 0.813 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -3.9 | 179.9 | -58.6 | 6.8 | 0 | 0 | 0 | 113 | R1121 | R1121-N1123 PolarHBondContact O-N 3.12Š|
| 1124 | V | 63.5 | Low | 82.5 | Confident | 37 Ų | 37 | 52.1 Ų | 52.1 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | trans | -111.5 | 118.3 | -175.3 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | P1119 R1121 Q1126 | P1119-V1124 WeakPolarHBondContact CB-O 3.08Å; R1121-V1124 HydrophobicContact CB-CG2 4.14Å; R1121-V1124 PolarHBondContact O-N 2.78Å; V1124-Q1126 WeakPolarHBondContact CG1-O 3.29Å | ||
| 1125 | T | 69.8 | Low | 82.3 | Confident | 141 Ų | 141 | 52 Ų | 52 | 87% | 0.865 | 27% | 0.272 | S | S | * | . | trans | -92.3 | -3.8 | -178 | 54.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1126 | Q | 75.9 | Confident | 82.1 | Confident | 102 Ų | 102 | 52.5 Ų | 52.5 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -107.5 | 140.1 | 179.3 | -60.6 | -174.4 | 10.1 | 0 | 0 | 110.3 | V1124 H1128 R1186 | V1124-Q1126 WeakPolarHBondContact CG1-O 3.29Å; Q1126-H1128 PolarHBondContact O-N 3.49Å; Q1126-R1186 VanDerWaalsContact OE1-CD 3.29Å |
| 1127 | C | 84 | Confident | 81.7 | Confident | 36 Ų | 36 | 55 Ų | 55 | 24% | 0.243 | 29% | 0.285 | C | S | . | . | trans | -58.6 | 134.5 | 174.6 | -64.7 | 0 | 0 | 0 | 0 | 110.7 | Y1116 I1117 R1186 | Y1116-C1127 HydrophobicContact CD1-CB 4.02Å; Y1116-C1127 HydrophobicContact CG-CB 4.41Å; I1117-C1127 CarbonylContact O-C 3.25Å; I1117-C1127 WeakPolarHBondContact O-CA 3.48Å; I1117-C1127 WeakPolarHBondContact O-CB 3.11Å; C1127-R1186 PolarHBondContact O-NE 2.82Å; C1127-R1186 PolarHBondContact O-NH2 2.83Å | ||
| 1128 | H | 88.3 | Confident | 80.9 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 164.2 | 172.6 | -54.9 | -65.9 | 0 | 0 | 0 | 110.2 | I1117 M1120 Q1126 M1183 E1189 | I1117-H1128 HydrophobicContact CB-CB 4.31Å; I1117-H1128 HydrophobicContact CD1-CB 4.12Å; I1117-H1128 PolarHBondContact N-O 2.78Å; I1117-H1128 PolarHBondContact O-N 2.87Å; I1117-H1128 VanDerWaalsContact O-N 3.08Å; M1120-H1128 PolarHBondContact N-CD2 3.21Å; M1120-H1128 VanDerWaalsContact N-CD2 3.26Å; M1120-H1128 PolarHBondContact N-NE2 3.06Å; Q1126-H1128 PolarHBondContact O-N 3.49Å; H1128-M1183 HydrophobicContact CB-CE 3.86Å; H1128-E1189 IonicContact CE1-OE1 3.47Å; H1128-E1189 PolarHBondContact CE1-OE1 3.32Å; H1128-E1189 IonicContact ND1-OE1 3.75Å; H1128-E1189 PolarHBondContact ND1-OE1 2.52Å |
| 1129 | I | 90.1 | Very high | 79.8 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 123.7 | -175.9 | -63.8 | 159.4 | 0 | 0 | 0 | 108 | Y1116 Y1184 V1203 V1223 F1243 | Y1116-I1129 HydrophobicContact CD1-CG1 4.44Å; Y1116-I1129 HydrophobicContact CE1-CG1 4.46Å; I1129-Y1184 PolarHBondContact O-N 2.63Å; I1129-V1203 HydrophobicContact CD1-CG1 3.86Å; I1129-V1223 HydrophobicContact CG2-CG2 3.62Å; I1129-F1243 HydrophobicContact CD1-CB 4.49Å; I1129-F1243 HydrophobicContact CD1-CD1 3.7Å; I1129-F1243 HydrophobicContact CD1-CD2 3.63Å; I1129-F1243 HydrophobicContact CD1-CE1 3.76Å; I1129-F1243 HydrophobicContact CD1-CE2 3.7Å; I1129-F1243 HydrophobicContact CD1-CG 3.64Å; I1129-F1243 HydrophobicContact CD1-CZ 3.78Å; I1129-F1243 HydrophobicContact CG1-CD2 4.33Å; I1129-F1243 HydrophobicContact CG1-CE2 4.22Å |
| 1130 | G | 91.2 | Very high | 78.4 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 154.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1114 V1115 A1182 | Y1114-G1130 CarbonylContact C-O 3.19Å; Y1114-G1130 WeakPolarHBondContact CA-O 3.35Å; V1115-G1130 PolarHBondContact N-O 2.95Å; V1115-G1130 PolarHBondContact O-N 2.85Å; V1115-G1130 VanDerWaalsContact O-N 3.09Å; G1130-A1182 CarbonylContact C-O 3.59Å; G1130-A1182 VanDerWaalsContact CA-O 3.3Å; G1130-A1182 WeakPolarHBondContact CA-O 3.31Å |
| 1131 | R | 92.4 | Very high | 76.9 | Confident | 23 Ų | 23 | 62 Ų | 62 | 9% | 0.087 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 124.8 | 171.1 | -174.2 | -170 | 177.1 | -137.9 | -7.2 | 109.4 | E1086 Y1114 T1133 L1181 A1182 Y1184 | E1086-R1131 IonicContact OE1-CZ 2.71Å; E1086-R1131 IonicContact OE1-NH1 3.69Å; E1086-R1131 PolarHBondContact OE1-NH1 3.46Å; Y1114-R1131 HydrophobicContact CD1-CB 3.75Å; Y1114-R1131 HydrophobicContact CD1-CG 4.13Å; Y1114-R1131 HydrophobicContact CD2-CG 4.34Å; Y1114-R1131 HydrophobicContact CE1-CB 3.62Å; Y1114-R1131 HydrophobicContact CE1-CG 3.91Å; Y1114-R1131 HydrophobicContact CE2-CG 4.13Å; Y1114-R1131 HydrophobicContact CG-CB 4.38Å; Y1114-R1131 HydrophobicContact CG-CG 4.36Å; R1131-T1133 PolarHBondContact O-N 3.23Å; R1131-L1181 CarbonylContact O-C 3.6Å; R1131-L1181 VanDerWaalsContact O-CA 3.24Å; R1131-L1181 WeakPolarHBondContact O-CA 3.41Å; R1131-A1182 PolarHBondContact N-O 3.42Å; R1131-A1182 PolarHBondContact O-N 3.09Å; R1131-Y1184 HydrophobicContact CB-CE2 4.27Å |
| 1132 | I | 91.7 | Very high | 75 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 110.2 | 175.5 | -62.5 | 174.1 | 0 | 0 | 0 | 109.2 | F1102 G1112 D1113 V1115 I1135 V1179 R1180 L1181 | F1102-I1132 HydrophobicContact CE1-CD1 3.94Å; F1102-I1132 HydrophobicContact CZ-CD1 4.14Å; G1112-I1132 VanDerWaalsContact CA-O 3.31Å; G1112-I1132 WeakPolarHBondContact CA-O 3.38Å; G1112-I1132 PolarHBondContact N-O 2.93Å; D1113-I1132 HydrophobicContact CB-CD1 4.21Å; D1113-I1132 WeakPolarHBondContact O-CG1 3.3Å; D1113-I1132 PolarHBondContact O-N 2.99Å; V1115-I1132 HydrophobicContact CG1-CD1 3.91Å; V1115-I1132 HydrophobicContact CG1-CG1 4.31Å; V1115-I1132 HydrophobicContact CG2-CG1 4.29Å; I1132-I1135 HydrophobicContact CG2-CD1 4.18Å; I1132-I1135 HydrophobicContact CG2-CG1 3.69Å; I1132-V1179 HydrophobicContact CB-CG1 4.39Å; I1132-V1179 HydrophobicContact CD1-CG1 3.94Å; I1132-V1179 HydrophobicContact CG1-CG1 3.73Å; I1132-V1179 HydrophobicContact CG2-CG1 3.89Å; I1132-R1180 WeakPolarHBondContact CA-O 3.43Å; I1132-L1181 HydrophobicContact CB-CD2 4.18Å; I1132-L1181 HydrophobicContact CG1-CD2 3.47Å; I1132-L1181 VanDerWaalsContact CG1-CD2 3.47Å |
| 1133 | T | 89.4 | Confident | 73.5 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 15% | 0.153 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -27.8 | 175.1 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | R1131 R1180 A1182 | R1131-T1133 PolarHBondContact O-N 3.23Å; T1133-R1180 PolarHBondContact N-O 3.08Å; T1133-R1180 PolarHBondContact OG1-O 3.25Å; T1133-A1182 HydrophobicContact CG2-CB 3.73Å |
| 1134 | R | 88.9 | Confident | 71.8 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 14% | 0.143 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 149.8 | 175.5 | -154.2 | -173.7 | -151.5 | 145.3 | 22.7 | 112 | N1090 E1098 R1180 | N1090-R1134 PolarHBondContact O-NH1 3.29Å; E1098-R1134 HydrophobicContact CG-CG 4.11Å; E1098-R1134 IonicContact OE2-CZ 3.47Å; E1098-R1134 IonicContact OE2-NE 2.65Å; E1098-R1134 PolarHBondContact OE2-NE 3.4Å; E1098-R1134 IonicContact OE2-NH2 3.59Å; E1098-R1134 PolarHBondContact OE2-NH2 3.1Å; R1134-R1180 HydrophobicContact CB-CB 4.1Å; R1134-R1180 PolarHBondContact N-O 3.42Å; R1134-R1180 PolarHBondContact O-N 3.08Å |
| 1135 | I | 89.3 | Confident | 70.4 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 114.3 | 165.4 | -54.6 | 160.2 | 0 | 0 | 0 | 106.6 | E1098 L1099 F1102 V1111 I1132 I1177 N1178 V1179 | E1098-I1135 WeakPolarHBondContact CG-O 3.08Å; L1099-I1135 HydrophobicContact CB-CB 4.24Å; L1099-I1135 HydrophobicContact CB-CG2 3.81Å; L1099-I1135 HydrophobicContact CD1-CG2 4.25Å; L1099-I1135 PolarHBondContact N-O 3.45Å; F1102-I1135 HydrophobicContact CD1-CD1 3.67Å; F1102-I1135 HydrophobicContact CD1-CG1 3.9Å; F1102-I1135 HydrophobicContact CD1-CG2 3.81Å; F1102-I1135 HydrophobicContact CE1-CD1 4Å; F1102-I1135 HydrophobicContact CE1-CG1 4.07Å; V1111-I1135 HydrophobicContact CG2-CB 4.46Å; V1111-I1135 HydrophobicContact CG2-CD1 3.77Å; V1111-I1135 HydrophobicContact CG2-CG1 4.01Å; I1132-I1135 HydrophobicContact CG2-CD1 4.18Å; I1132-I1135 HydrophobicContact CG2-CG1 3.69Å; I1135-I1177 HydrophobicContact CG2-CG2 3.29Å; I1135-N1178 WeakPolarHBondContact CA-O 3.26Å; I1135-V1179 HydrophobicContact CG1-CG1 4.46Å |
| 1136 | S | 88 | Confident | 68.5 | Low | 11 Ų | 11 | 69.2 Ų | 69.2 | 8% | 0.077 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 145.8 | 173.1 | 63.8 | 0 | 0 | 0 | 0 | 111.1 | E1096 C1097 I1177 N1178 | E1096-S1136 WeakPolarHBondContact OE1-CB 3.3Å; E1096-S1136 PolarHBondContact OE1-OG 2.77Å; C1097-S1136 CarbonylContact O-C 3.59Å; C1097-S1136 WeakPolarHBondContact O-CA 3.39Å; S1136-I1177 CarbonylContact O-C 3.51Å; S1136-I1177 VanDerWaalsContact O-CA 3.26Å; S1136-I1177 WeakPolarHBondContact O-CA 3.41Å; S1136-N1178 PolarHBondContact N-O 3.3Å; S1136-N1178 PolarHBondContact O-N 3.44Å |
| 1137 | R | 83.2 | Confident | 66.5 | Low | 88 Ų | 88 | 72.6 Ų | 72.6 | 33% | 0.332 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 121.6 | 172.9 | -178.1 | -172.9 | -171.8 | 176.1 | 4.9 | 108 | E1096 C1097 L1099 E1139 C1175 I1177 | E1096-R1137 WeakPolarHBondContact CA-O 3.36Å; C1097-R1137 PolarHBondContact N-O 3.5Å; C1097-R1137 PolarHBondContact O-N 3.2Å; L1099-R1137 HydrophobicContact CD1-CB 3.93Å; L1099-R1137 HydrophobicContact CD2-CB 4.43Å; L1099-R1137 HydrophobicContact CG-CB 3.99Å; R1137-E1139 HydrophobicContact CG-CG 4.32Å; R1137-E1139 IonicContact CZ-OE1 3.31Å; R1137-E1139 IonicContact NE-OE1 3.62Å; R1137-E1139 IonicContact NH1-OE1 3.68Å; R1137-E1139 PolarHBondContact NH1-OE1 3.01Å; R1137-E1139 PolarHBondContact O-N 3.14Å; R1137-C1175 HydrophobicContact CG-CB 3.84Å; R1137-C1175 VanDerWaalsContact NE-CB 3.31Å; R1137-C1175 PolarHBondContact NE-SG 3.26Å; R1137-C1175 PolarHBondContact NH2-SG 2.56Å; R1137-I1177 HydrophobicContact CG-CG1 4.44Å |
| 1138 | V | 73.5 | Confident | 63.8 | Low | 30 Ų | 30 | 75.6 Ų | 75.6 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 116.9 | 173.5 | -169.1 | 0 | 0 | 0 | 0 | 108.5 | E1096 T1176 N1178 | E1096-V1138 HydrophobicContact CG-CG2 4.24Å; V1138-T1176 PolarHBondContact N-O 2.64Å; V1138-N1178 WeakPolarHBondContact CG2-ND2 3.22Å |
| 1139 | E | 60.4 | Low | 61.2 | Low | 79 Ų | 79 | 81.8 Ų | 81.8 | 37% | 0.369 | 43% | 0.428 | S | S | . | . | trans | -101.5 | 108 | 170.8 | -60.9 | -156.4 | 157.9 | 0 | 0 | 109.1 | G1095 R1137 S1141 | G1095-E1139 PolarHBondContact O-N 3.22Å; R1137-E1139 HydrophobicContact CG-CG 4.32Å; R1137-E1139 IonicContact CZ-OE1 3.31Å; R1137-E1139 IonicContact NE-OE1 3.62Å; R1137-E1139 IonicContact NH1-OE1 3.68Å; R1137-E1139 PolarHBondContact NH1-OE1 3.01Å; R1137-E1139 PolarHBondContact O-N 3.14Å; E1139-S1141 PolarHBondContact O-N 2.93Å | ||
| 1140 | H | 51.7 | Low | 58.5 | Low | 157 Ų | 157 | 86.9 Ų | 86.9 | 73% | 0.727 | 46% | 0.462 | S | S | * | . | trans | -71.2 | 74.7 | -177.2 | -74.9 | -66.2 | 0 | 0 | 0 | 112.4 | ||||
| 1141 | S | 42.1 | Very low | 55.5 | Low | 105 Ų | 105 | 94 Ų | 94 | 73% | 0.734 | 50% | 0.499 | S | S | * | . | trans | -67.7 | 131.8 | 167.8 | -67.9 | 0 | 0 | 0 | 0 | 110.4 | E1139 | E1139-S1141 PolarHBondContact O-N 2.93Š| ||
| 1142 | L | 30.8 | Very low | 52.5 | Low | 167 Ų | 167 | 99.6 Ų | 99.6 | 87% | 0.874 | 52% | 0.524 | S | S | * | . | trans | -83.5 | 125.1 | -175.7 | -78.1 | 162.1 | 0 | 0 | 0 | 112.2 | ||||
| 1143 | S | 30.6 | Very low | 49.3 | Very low | 106 Ų | 106 | 106.7 Ų | 106.7 | 74% | 0.741 | 56% | 0.557 | S | S | * | * | trans | 100.6 | 116.7 | 148.2 | 79.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1144 | K | 32.4 | Very low | 46.6 | Very low | 182 Ų | 182 | 111.6 Ų | 111.6 | 79% | 0.791 | 58% | 0.583 | S | S | * | * | 86.3 | 112.3 | 129.4 | -76.3 | -177.8 | 168.2 | -169.6 | 0 | 124.1 | |||||
| 1145 | I | 33.9 | Very low | 43.7 | Very low | 125 Ų | 125 | 117 Ų | 117 | 64% | 0.641 | 61% | 0.61 | S | S | * | * | 89.5 | 102.6 | 120.5 | -66.9 | 172.2 | 0 | 0 | 0 | 120.7 | |||||
| 1146 | E | 31.1 | Very low | 40.6 | Very low | 171 Ų | 171 | 121.5 Ų | 121.5 | 80% | 0.799 | 64% | 0.641 | S | S | * | * | 71.3 | 134.6 | 128.1 | -63.3 | 173.9 | 158 | 0 | 0 | 125.7 | |||||
| 1147 | E | 33 | Very low | 37.8 | Very low | 172 Ų | 172 | 130.1 Ų | 130.1 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | trans | 65.3 | 82.4 | 145.1 | -66.3 | -165.3 | 145.4 | 0 | 0 | 125.2 | ||||
| 1148 | S | 29 | Very low | 35.2 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | 71.2 | 144.5 | 108.3 | 79.6 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 1149 | V | 33.6 | Very low | 32.9 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | trans | 80.6 | 125.3 | 161.2 | -165.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1150 | P | 32.1 | Very low | 31.3 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | trans | -116.6 | 173.8 | -173.4 | 43.3 | -35.9 | 0 | 0 | 0 | 116.1 | ||||
| 1151 | N | 28.6 | Very low | 30 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -171.1 | 137.8 | 140.6 | -106 | -47.8 | 0 | 0 | 0 | 116.8 | ||||
| 1152 | K | 28.7 | Very low | 29.1 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 61% | 0.613 | 75% | 0.753 | S | S | * | * | trans | 66.1 | 129 | 141.6 | -72.4 | 172.5 | 141.2 | -69.4 | 0 | 124.7 | ||||
| 1153 | E | 26.3 | Very low | 28.9 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | trans | 63.1 | 144.7 | 146.1 | -76.7 | 114.5 | -125.2 | 0 | 0 | 118.7 | ||||
| 1154 | D | 31.9 | Very low | 28.8 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | cis | -155.9 | 165.1 | 14.4 | -152.3 | -4.7 | 0 | 0 | 0 | 115.5 | ||||
| 1155 | Q | 27.3 | Very low | 28.6 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | 15 | 110.1 | 161.1 | -77.9 | 162.1 | 84.8 | 0 | 0 | 126.3 | ||||
| 1156 | S | 25.6 | Very low | 28.2 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | 91.8 | 139.2 | 112.4 | 86.5 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 1157 | K | 27.8 | Very low | 28 | Very low | 192 Ų | 192 | 141.6 Ų | 141.6 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | 65 | 108 | 147.9 | -68.5 | 167.2 | -178.7 | 168.9 | 0 | 122.3 | ||||
| 1158 | R | 29.1 | Very low | 27.8 | Very low | 242 Ų | 242 | 138.9 Ų | 138.9 | 91% | 0.913 | 74% | 0.744 | S | S | * | * | 174.6 | -179 | 94.1 | -112.9 | 174.8 | 174 | 165.1 | -1.8 | 113.4 | |||||
| 1159 | E | 24.5 | Very low | 27.9 | Very low | 163 Ų | 163 | 141 Ų | 141 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -118.6 | 172.3 | -157.8 | -56.7 | 153.5 | 116.4 | 0 | 0 | 115.5 | ||||
| 1160 | N | 28.1 | Very low | 27.7 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 79.9 | 150.6 | 162.4 | -57 | -40.9 | 0 | 0 | 0 | 119.2 | ||||
| 1161 | S | 24.8 | Very low | 27.8 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | cis | -173.2 | 170.9 | -26.7 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1162 | C | 23.1 | Very low | 27.9 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 72% | 0.716 | 75% | 0.751 | S | S | * | * | trans | 95.7 | 107.8 | 157.6 | -57 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1163 | D | 25.6 | Very low | 28.4 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | 64.1 | 119.7 | 116.9 | -65 | 10.7 | 0 | 0 | 0 | 126.4 | |||||
| 1164 | N | 28.5 | Very low | 29.6 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | 71.4 | 151.9 | 131 | -64.4 | -35.3 | 0 | 0 | 0 | 120.8 | ||||
| 1165 | I | 28.7 | Very low | 30.7 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 68% | 0.677 | 75% | 0.745 | S | S | * | * | cis | -162.1 | 152.7 | 1.4 | -121.1 | 166.3 | 0 | 0 | 0 | 112.4 | ||||
| 1166 | E | 26.1 | Very low | 32.9 | Very low | 183 Ų | 183 | 134.7 Ų | 134.7 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | trans | 57.4 | 158.6 | 158.3 | -74.5 | 177 | 167.2 | 0 | 0 | 122.2 | ||||
| 1167 | S | 26.2 | Very low | 35.7 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 70% | 0.703 | S | S | * | * | cis | -156.5 | 156.2 | -0.4 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1168 | S | 28.6 | Very low | 38.5 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 67% | 0.672 | S | S | * | * | trans | 12.5 | 150.5 | 152.9 | -47.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 1169 | V | 30.3 | Very low | 41.3 | Very low | 144 Ų | 144 | 112.5 Ų | 112.5 | 87% | 0.873 | 63% | 0.629 | S | S | * | * | cis | -154.7 | 168.5 | 46.4 | 173.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1170 | K | 30.2 | Very low | 44.5 | Very low | 169 Ų | 169 | 107 Ų | 107 | 74% | 0.735 | 60% | 0.601 | S | S | * | * | trans | -71.2 | 153.1 | -169.9 | -48.4 | 177.8 | 178 | -171.8 | 0 | 119.3 | ||||
| 1171 | V | 33.7 | Very low | 47.5 | Very low | 141 Ų | 141 | 99.7 Ų | 99.7 | 86% | 0.855 | 56% | 0.562 | S | S | * | * | trans | -140.4 | 143.9 | 131.1 | 176.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 1172 | D | 30.4 | Very low | 50.6 | Low | 130 Ų | 130 | 95.5 Ų | 95.5 | 70% | 0.695 | 53% | 0.534 | S | S | * | . | trans | -89.3 | 132.5 | -171.1 | -60.9 | -68.3 | 0 | 0 | 0 | 114.6 | ||||
| 1173 | H | 40.9 | Very low | 53.8 | Low | 163 Ų | 163 | 90.9 Ų | 90.9 | 76% | 0.755 | 50% | 0.502 | S | S | * | . | trans | -135.6 | 145.9 | 156.8 | -86.7 | 34.7 | 0 | 0 | 0 | 107.8 | C1175 | H1173-C1175 PolarHBondContact O-N 3.07Š| ||
| 1174 | P | 50.3 | Low | 57 | Low | 128 Ų | 128 | 84.8 Ų | 84.8 | 83% | 0.831 | 47% | 0.469 | S | S | * | . | trans | -76.8 | 88.2 | -176.5 | 31.5 | -34.8 | 0 | 0 | 0 | 111 | T1176 | P1174-T1176 PolarHBondContact O-N 2.82Š| ||
| 1175 | C | 55.8 | Low | 59.9 | Low | 43 Ų | 43 | 79.2 Ų | 79.2 | 29% | 0.291 | 44% | 0.439 | S | S | . | . | trans | -66.1 | 122.6 | 172.7 | -65 | 0 | 0 | 0 | 0 | 110.4 | R1137 H1173 I1177 | R1137-C1175 HydrophobicContact CG-CB 3.84Å; R1137-C1175 VanDerWaalsContact NE-CB 3.31Å; R1137-C1175 PolarHBondContact NE-SG 3.26Å; R1137-C1175 PolarHBondContact NH2-SG 2.56Å; H1173-C1175 PolarHBondContact O-N 3.07Å; C1175-I1177 PolarHBondContact O-N 3.24Å | ||
| 1176 | T | 73.3 | Confident | 62.6 | Low | 58 Ų | 58 | 74.5 Ų | 74.5 | 36% | 0.356 | 41% | 0.413 | S | S | . | . | trans | -65.9 | 127.2 | 168 | 36.6 | 0 | 0 | 0 | 0 | 109.4 | V1138 P1174 | V1138-T1176 PolarHBondContact N-O 2.64Å; P1174-T1176 PolarHBondContact O-N 2.82Å | ||
| 1177 | I | 83.1 | Confident | 65.3 | Low | 28 Ų | 28 | 67.7 Ų | 67.7 | 14% | 0.144 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 114.1 | 173.5 | -59.2 | 171.1 | 0 | 0 | 0 | 106.9 | L1099 F1102 I1135 S1136 R1137 C1175 I1214 | L1099-I1177 HydrophobicContact CD1-CD1 3.7Å; L1099-I1177 HydrophobicContact CD1-CG1 3.96Å; L1099-I1177 HydrophobicContact CD1-CG2 4.09Å; F1102-I1177 HydrophobicContact CB-CD1 4.24Å; F1102-I1177 HydrophobicContact CB-CG2 4.38Å; I1135-I1177 HydrophobicContact CG2-CG2 3.29Å; S1136-I1177 CarbonylContact O-C 3.51Å; S1136-I1177 VanDerWaalsContact O-CA 3.26Å; S1136-I1177 WeakPolarHBondContact O-CA 3.41Å; R1137-I1177 HydrophobicContact CG-CG1 4.44Å; C1175-I1177 PolarHBondContact O-N 3.24Å; I1177-I1214 HydrophobicContact CB-CD1 3.81Å; I1177-I1214 HydrophobicContact CB-CG1 4.12Å; I1177-I1214 HydrophobicContact CD1-CD1 4.08Å; I1177-I1214 HydrophobicContact CG1-CD1 4.32Å |
| 1178 | N | 86.9 | Confident | 67.7 | Low | 35 Ų | 35 | 66.8 Ų | 66.8 | 19% | 0.187 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133.9 | 177.5 | -61.4 | -35.4 | 0 | 0 | 0 | 108.8 | I1135 S1136 V1138 T1211 Q1213 | I1135-N1178 WeakPolarHBondContact CA-O 3.26Å; S1136-N1178 PolarHBondContact N-O 3.3Å; S1136-N1178 PolarHBondContact O-N 3.44Å; V1138-N1178 WeakPolarHBondContact CG2-ND2 3.22Å; N1178-T1211 HydrophobicContact CB-CG2 3.94Å; N1178-Q1213 PolarHBondContact OD1-NE2 2.81Å |
| 1179 | V | 89.5 | Confident | 70.3 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 108.9 | -179 | -170.6 | 0 | 0 | 0 | 0 | 108.8 | F1102 I1132 I1135 L1181 V1212 I1217 | F1102-V1179 HydrophobicContact CD1-CG2 3.94Å; F1102-V1179 HydrophobicContact CE1-CB 4.37Å; F1102-V1179 HydrophobicContact CE1-CG1 3.88Å; F1102-V1179 HydrophobicContact CE1-CG2 3.48Å; F1102-V1179 VanDerWaalsContact CE1-CG2 3.48Å; F1102-V1179 HydrophobicContact CZ-CG1 4.39Å; F1102-V1179 HydrophobicContact CZ-CG2 3.92Å; I1132-V1179 HydrophobicContact CB-CG1 4.39Å; I1132-V1179 HydrophobicContact CD1-CG1 3.94Å; I1132-V1179 HydrophobicContact CG1-CG1 3.73Å; I1132-V1179 HydrophobicContact CG2-CG1 3.89Å; I1135-V1179 HydrophobicContact CG1-CG1 4.46Å; V1179-L1181 HydrophobicContact CG1-CD2 3.89Å; V1179-V1212 HydrophobicContact CB-CG2 4.08Å; V1179-V1212 PolarHBondContact N-O 2.88Å; V1179-V1212 PolarHBondContact O-N 2.96Å; V1179-I1217 HydrophobicContact CB-CD1 4.17Å; V1179-I1217 HydrophobicContact CG1-CD1 3.95Å; V1179-I1217 HydrophobicContact CG2-CD1 4.19Å |
| 1180 | R | 90.3 | Very high | 72.5 | Confident | 48 Ų | 48 | 56 Ų | 56 | 18% | 0.181 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 131.7 | 176.9 | -167.7 | 174 | -179.7 | 156.4 | -0.8 | 109.8 | E1087 I1132 T1133 R1134 E1210 | E1087-R1180 IonicContact OE1-NH2 2.66Å; E1087-R1180 PolarHBondContact OE1-NH2 3.1Å; E1087-R1180 IonicContact OE2-CZ 3.32Å; E1087-R1180 IonicContact OE2-NE 2.79Å; E1087-R1180 IonicContact OE2-NH2 3.14Å; E1087-R1180 PolarHBondContact OE2-NH2 2.93Å; I1132-R1180 WeakPolarHBondContact CA-O 3.43Å; T1133-R1180 PolarHBondContact N-O 3.08Å; T1133-R1180 PolarHBondContact OG1-O 3.25Å; R1134-R1180 HydrophobicContact CB-CB 4.1Å; R1134-R1180 PolarHBondContact N-O 3.42Å; R1134-R1180 PolarHBondContact O-N 3.08Å; R1180-E1210 CarbonylContact C-O 3.44Å; R1180-E1210 WeakPolarHBondContact CA-O 3.16Å |
| 1181 | L | 90.9 | Very high | 74.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 137.8 | -175.9 | -54.5 | -175.5 | 0 | 0 | 0 | 110.6 | V1115 I1117 R1131 I1132 V1179 M1183 G1209 E1210 V1212 | V1115-L1181 HydrophobicContact CG2-CD1 3.97Å; V1115-L1181 HydrophobicContact CG2-CD2 3.81Å; I1117-L1181 HydrophobicContact CD1-CD1 3.37Å; I1117-L1181 HydrophobicContact CG1-CD1 3.52Å; R1131-L1181 CarbonylContact O-C 3.6Å; R1131-L1181 VanDerWaalsContact O-CA 3.24Å; R1131-L1181 WeakPolarHBondContact O-CA 3.41Å; I1132-L1181 HydrophobicContact CB-CD2 4.18Å; I1132-L1181 HydrophobicContact CG1-CD2 3.47Å; I1132-L1181 VanDerWaalsContact CG1-CD2 3.47Å; V1179-L1181 HydrophobicContact CG1-CD2 3.89Å; L1181-M1183 HydrophobicContact CB-SD 4.37Å; L1181-G1209 CarbonylContact O-C 3.48Å; L1181-G1209 VanDerWaalsContact O-CA 3.29Å; L1181-G1209 WeakPolarHBondContact O-CA 3.45Å; L1181-E1210 PolarHBondContact N-O 2.91Å; L1181-E1210 PolarHBondContact O-N 3.35Å; L1181-V1212 HydrophobicContact CD1-CB 4.46Å; L1181-V1212 HydrophobicContact CD1-CG1 3.89Å; L1181-V1212 HydrophobicContact CD1-CG2 3.67Å; L1181-V1212 HydrophobicContact CG-CG2 4.05Å |
| 1182 | A | 90.9 | Very high | 76.2 | Confident | 14 Ų | 14 | 49.5 Ų | 49.5 | 12% | 0.116 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 125.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | G1130 R1131 T1133 | G1130-A1182 CarbonylContact C-O 3.59Å; G1130-A1182 VanDerWaalsContact CA-O 3.3Å; G1130-A1182 WeakPolarHBondContact CA-O 3.31Å; R1131-A1182 PolarHBondContact N-O 3.42Å; R1131-A1182 PolarHBondContact O-N 3.09Å; T1133-A1182 HydrophobicContact CG2-CB 3.73Å |
| 1183 | M | 90.8 | Very high | 77.9 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 5% | 0.049 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 140.6 | -166.6 | -62.3 | -66.6 | -79.2 | 0 | 0 | 113.8 | I1117 M1120 H1128 L1181 T1206 L1208 E1210 | I1117-M1183 HydrophobicContact CD1-CE 3.64Å; I1117-M1183 HydrophobicContact CD1-SD 3.39Å; I1117-M1183 WeakPolarHBondContact CD1-SD 3.46Å; M1120-M1183 HydrophobicContact SD-CE 4.13Å; H1128-M1183 HydrophobicContact CB-CE 3.86Å; L1181-M1183 HydrophobicContact CB-SD 4.37Å; M1183-T1206 PolarHBondContact O-N 3.45Å; M1183-T1206 PolarHBondContact O-OG1 3.44Å; M1183-L1208 HydrophobicContact CB-CB 4.18Å; M1183-L1208 HydrophobicContact CB-CD2 4.1Å; M1183-L1208 HydrophobicContact CB-CG 4.16Å; M1183-L1208 WeakPolarHBondContact CB-O 3.45Å; M1183-L1208 HydrophobicContact CG-CD2 4.15Å; M1183-L1208 HydrophobicContact CG-CG 4.07Å; M1183-L1208 WeakPolarHBondContact CG-O 3.42Å; M1183-L1208 PolarHBondContact N-O 3.37Å; M1183-E1210 HydrophobicContact CE-CG 4.29Å; M1183-E1210 HydrophobicContact CG-CB 3.98Å; M1183-E1210 HydrophobicContact CG-CG 3.75Å; M1183-E1210 HydrophobicContact SD-CB 4.02Å; M1183-E1210 HydrophobicContact SD-CG 4.11Å |
| 1184 | Y | 92.4 | Very high | 78.9 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.5 | 174.8 | -71.2 | -105.2 | 0 | 0 | 0 | 110.3 | Y1114 I1129 R1131 V1203 F1204 R1205 V1223 W1262 | Y1114-Y1184 HydrophobicContact CE1-CD2 4.41Å; Y1114-Y1184 AromaticContact CE1-CE2 3.75Å; Y1114-Y1184 HydrophobicContact CE1-CE2 3.75Å; Y1114-Y1184 AromaticContact CE1-CZ 3.96Å; Y1114-Y1184 PolarHBondContact OH-OH 2.89Å; I1129-Y1184 PolarHBondContact O-N 2.63Å; R1131-Y1184 HydrophobicContact CB-CE2 4.27Å; Y1184-V1203 HydrophobicContact CD1-CG2 4.18Å; Y1184-F1204 CarbonylContact C-O 3.37Å; Y1184-F1204 VanDerWaalsContact CA-O 3.28Å; Y1184-F1204 WeakPolarHBondContact CA-O 2.98Å; Y1184-R1205 HydrophobicContact CD1-CB 4.24Å; Y1184-R1205 HydrophobicContact CE1-CB 3.81Å; Y1184-R1205 HydrophobicContact CE1-CG 4.25Å; Y1184-V1223 HydrophobicContact CD1-CG1 3.98Å; Y1184-V1223 HydrophobicContact CD1-CG2 4.21Å; Y1184-V1223 HydrophobicContact CD2-CG2 4.41Å; Y1184-V1223 HydrophobicContact CE1-CB 4.32Å; Y1184-V1223 HydrophobicContact CE1-CG1 3.82Å; Y1184-V1223 HydrophobicContact CE1-CG2 4.43Å; Y1184-V1223 HydrophobicContact CG-CG2 4.19Å; Y1184-W1262 HydrophobicContact CE1-CH2 4.14Å |
| 1185 | L | 89.2 | Confident | 79.3 | Confident | 17 Ų | 17 | 44.3 Ų | 44.3 | 9% | 0.089 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 141.2 | -179.7 | -65.3 | -178.1 | 0 | 0 | 0 | 112 | E1189 A1190 V1203 F1204 T1206 F1249 | L1185-E1189 WeakPolarHBondContact CA-OE2 3.21Å; L1185-E1189 HydrophobicContact CB-CB 4.23Å; L1185-E1189 HydrophobicContact CD2-CB 4.07Å; L1185-A1190 HydrophobicContact CB-CB 4.26Å; L1185-A1190 HydrophobicContact CD1-CB 4.46Å; L1185-V1203 CarbonylContact O-C 3.58Å; L1185-V1203 WeakPolarHBondContact O-CA 3.36Å; L1185-F1204 PolarHBondContact N-O 3.13Å; L1185-F1204 PolarHBondContact O-N 2.99Å; L1185-T1206 HydrophobicContact CB-CG2 4.38Å; L1185-T1206 HydrophobicContact CD1-CG2 3.77Å; L1185-T1206 HydrophobicContact CG-CG2 3.74Å; L1185-F1249 HydrophobicContact CD1-CD1 3.97Å; L1185-F1249 HydrophobicContact CD1-CE1 4.28Å |
| 1186 | R | 85.9 | Confident | 79.7 | Confident | 33 Ų | 33 | 44.4 Ų | 44.4 | 13% | 0.125 | 22% | 0.22 | C | C | . | . | trans | -79.8 | 162 | 169.8 | -59.3 | 177.8 | -179.8 | -104.3 | -8 | 110.3 | Q1126 C1127 A1188 E1189 A1190 | Q1126-R1186 VanDerWaalsContact OE1-CD 3.29Å; C1127-R1186 PolarHBondContact O-NE 2.82Å; C1127-R1186 PolarHBondContact O-NH2 2.83Å; R1186-A1188 PolarHBondContact O-N 2.81Å; R1186-E1189 HydrophobicContact CB-CG 4.41Å; R1186-E1189 WeakPolarHBondContact CB-OE2 3.41Å; R1186-E1189 PolarHBondContact N-OE2 2.68Å; R1186-E1189 WeakPolarHBondContact O-CA 3.4Å; R1186-E1189 WeakPolarHBondContact O-CB 3.47Å; R1186-E1189 PolarHBondContact O-N 2.75Å; R1186-A1190 PolarHBondContact O-N 2.87Å | ||
| 1187 | P | 81.9 | Confident | 79.5 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 26% | 0.26 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.1 | -28.2 | 179.7 | -23.3 | 35 | 0 | 0 | 0 | 114.2 | E1189 H1191 P1192 L1198 E1202 F1204 | P1187-E1189 PolarHBondContact O-N 3.45Å; P1187-H1191 PolarHBondContact O-N 3.3Å; P1187-H1191 VanDerWaalsContact O-N 3.13Å; P1187-P1192 HydrophobicContact CB-CG 4.43Å; P1187-P1192 WeakPolarHBondContact O-CD 3.33Å; P1187-L1198 HydrophobicContact CB-CD1 3.88Å; P1187-L1198 HydrophobicContact CG-CD1 4.36Å; P1187-E1202 VanDerWaalsContact CD-O 3.27Å; P1187-E1202 WeakPolarHBondContact CD-O 3.26Å; P1187-E1202 HydrophobicContact CG-CB 4.45Å; P1187-F1204 HydrophobicContact CB-CE2 4.21Å; P1187-F1204 HydrophobicContact CG-CE2 4.02Å |
| 1188 | A | 77.8 | Confident | 79 | Confident | 83 Ų | 83 | 47.1 Ų | 47.1 | 69% | 0.686 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -69.6 | -12.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1186 H1191 | R1186-A1188 PolarHBondContact O-N 2.81Å; A1188-H1191 PolarHBondContact O-CE1 2.91Å |
| 1189 | E | 82.9 | Confident | 78.4 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -103.9 | -37.9 | 177.8 | -58.8 | 170.4 | 133.4 | 0 | 0 | 110.8 | H1128 L1185 R1186 P1187 H1191 | H1128-E1189 IonicContact CE1-OE1 3.47Å; H1128-E1189 PolarHBondContact CE1-OE1 3.32Å; H1128-E1189 IonicContact ND1-OE1 3.75Å; H1128-E1189 PolarHBondContact ND1-OE1 2.52Å; L1185-E1189 WeakPolarHBondContact CA-OE2 3.21Å; L1185-E1189 HydrophobicContact CB-CB 4.23Å; L1185-E1189 HydrophobicContact CD2-CB 4.07Å; R1186-E1189 HydrophobicContact CB-CG 4.41Å; R1186-E1189 WeakPolarHBondContact CB-OE2 3.41Å; R1186-E1189 PolarHBondContact N-OE2 2.68Å; R1186-E1189 WeakPolarHBondContact O-CA 3.4Å; R1186-E1189 WeakPolarHBondContact O-CB 3.47Å; R1186-E1189 PolarHBondContact O-N 2.75Å; P1187-E1189 PolarHBondContact O-N 3.45Å; E1189-H1191 PolarHBondContact O-ND1 3.2Å |
| 1190 | A | 75.1 | Confident | 77.5 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -87.3 | -7.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1185 R1186 F1204 F1249 F1256 | L1185-A1190 HydrophobicContact CB-CB 4.26Å; L1185-A1190 HydrophobicContact CD1-CB 4.46Å; R1186-A1190 PolarHBondContact O-N 2.87Å; A1190-F1204 HydrophobicContact CB-CD2 3.56Å; A1190-F1204 HydrophobicContact CB-CE2 4.01Å; A1190-F1204 HydrophobicContact CB-CG 4.36Å; A1190-F1249 HydrophobicContact CB-CD1 4.26Å; A1190-F1249 HydrophobicContact CB-CD2 4.49Å; A1190-F1249 HydrophobicContact CB-CE1 4.4Å; A1190-F1249 HydrophobicContact CB-CG 4.28Å; A1190-F1256 HydrophobicContact CB-CE1 4.14Å; A1190-F1256 HydrophobicContact CB-CZ 4.1Å |
| 1191 | H | 75.6 | Confident | 77.1 | Confident | 150 Ų | 150 | 49.1 Ų | 49.1 | 69% | 0.694 | 26% | 0.256 | S | S | * | . | trans | 49.6 | 48.8 | 171.3 | -63 | 79.1 | 0 | 0 | 0 | 116.9 | P1187 A1188 E1189 | P1187-H1191 PolarHBondContact O-N 3.3Å; P1187-H1191 VanDerWaalsContact O-N 3.13Å; A1188-H1191 PolarHBondContact O-CE1 2.91Å; E1189-H1191 PolarHBondContact O-ND1 3.2Å | ||
| 1192 | P | 66.9 | Low | 77 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 16% | 0.156 | 26% | 0.257 | C | S | . | . | trans | -63.7 | 151.4 | 177.4 | 28.3 | -35.3 | 0 | 0 | 0 | 113.2 | P1187 L1198 F1256 | P1187-P1192 HydrophobicContact CB-CG 4.43Å; P1187-P1192 WeakPolarHBondContact O-CD 3.33Å; P1192-L1198 HydrophobicContact CB-CD2 4.44Å; P1192-L1198 HydrophobicContact CG-CD1 3.94Å; P1192-L1198 HydrophobicContact CG-CD2 4.02Å; P1192-F1256 HydrophobicContact CB-CE1 4.43Å; P1192-F1256 HydrophobicContact CB-CE2 4.01Å; P1192-F1256 HydrophobicContact CB-CZ 3.71Å; P1192-F1256 HydrophobicContact CG-CZ 4.45Å | ||
| 1193 | S | 65.7 | Low | 76.9 | Confident | 22 Ų | 22 | 48.7 Ų | 48.7 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | trans | -52.8 | 143.3 | 175.8 | 170.2 | 0 | 0 | 0 | 0 | 113 | G943 R1195 R1196 | G943-S1193 WeakPolarHBondContact O-CA 3.32Å; G943-S1193 WeakPolarHBondContact O-CB 3.45Å; G943-S1193 PolarHBondContact O-N 3.39Å; S1193-R1195 PolarHBondContact O-N 3.09Å; S1193-R1195 PolarHBondContact OG-N 2.7Å; S1193-R1196 WeakPolarHBondContact O-CB 3.48Å; S1193-R1196 PolarHBondContact O-N 3.47Å | ||
| 1194 | R | 62.3 | Low | 76.9 | Confident | 239 Ų | 239 | 48.2 Ų | 48.2 | 90% | 0.902 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -19.4 | 175.1 | -67.6 | -176.4 | 175.4 | -134.7 | -0.8 | 114.1 | P1286 | R1194-P1286 VanDerWaalsContact O-CB 3.22Å; R1194-P1286 WeakPolarHBondContact O-CB 3.38Å |
| 1195 | R | 58.4 | Low | 76.8 | Confident | 50 Ų | 50 | 49.1 Ų | 49.1 | 19% | 0.189 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -16 | 176.1 | -58.9 | -171.1 | -163 | -104.6 | -7.8 | 113.8 | A940 E945 S1193 A1293 | A940-R1195 HydrophobicContact CB-CB 3.49Å; A940-R1195 VanDerWaalsContact CB-CB 3.49Å; A940-R1195 HydrophobicContact CB-CG 4.45Å; E945-R1195 IonicContact OE1-CZ 3.82Å; E945-R1195 IonicContact OE1-NE 3.83Å; E945-R1195 PolarHBondContact OE1-NE 2.69Å; E945-R1195 IonicContact OE1-NH2 2.64Å; E945-R1195 PolarHBondContact OE1-NH2 3.38Å; S1193-R1195 PolarHBondContact O-N 3.09Å; S1193-R1195 PolarHBondContact OG-N 2.7Å; R1195-A1293 PolarHBondContact NH1-O 2.78Å |
| 1196 | R | 64.4 | Low | 76.7 | Confident | 45 Ų | 45 | 48.4 Ų | 48.4 | 17% | 0.17 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -77 | 125.6 | -178.1 | -178.5 | 172.3 | 166.7 | 125.8 | 2 | 110.8 | D942 S1193 L1198 E1202 S1247 | D942-R1196 PolarHBondContact O-NH1 3.48Å; S1193-R1196 WeakPolarHBondContact O-CB 3.48Å; S1193-R1196 PolarHBondContact O-N 3.47Å; R1196-L1198 HydrophobicContact CG-CD2 4.13Å; R1196-L1198 PolarHBondContact O-N 3.12Å; R1196-E1202 IonicContact CZ-OE1 2.68Å; R1196-E1202 IonicContact NE-OE1 2.96Å; R1196-E1202 IonicContact NH2-OE1 3.64Å; R1196-E1202 PolarHBondContact NH2-OE1 3.08Å; R1196-S1247 PolarHBondContact NH2-OG 3.34Å |
| 1197 | R | 68.6 | Low | 76.5 | Confident | 107 Ų | 107 | 49.6 Ų | 49.6 | 40% | 0.404 | 27% | 0.265 | S | S | . | . | trans | -86.2 | 99.6 | -177.4 | -41.6 | -162.2 | -163.5 | 173.1 | 10.2 | 111.1 | D936 R1283 | D936-R1197 IonicContact OD1-CZ 3.2Å; D936-R1197 IonicContact OD1-NE 2.71Å; D936-R1197 IonicContact OD1-NH2 3.59Å; D936-R1197 PolarHBondContact OD1-NH2 3.35Å; D936-R1197 IonicContact OD2-CZ 3.59Å; D936-R1197 IonicContact OD2-NH2 3.42Å; D936-R1197 PolarHBondContact OD2-NH2 3.4Å; R1197-R1283 HydrophobicContact CB-CB 3.96Å; R1197-R1283 WeakPolarHBondContact O-CD 3.33Å; R1197-R1283 PolarHBondContact O-NH1 2.86Å | ||
| 1198 | L | 73.1 | Confident | 76.5 | Confident | 37 Ų | 37 | 50 Ų | 50 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | trans | -83.8 | 151.6 | -172.5 | -61.5 | 173.4 | 0 | 0 | 0 | 113.5 | P1187 P1192 R1196 E1202 F1204 R1283 L1284 | P1187-L1198 HydrophobicContact CB-CD1 3.88Å; P1187-L1198 HydrophobicContact CG-CD1 4.36Å; P1192-L1198 HydrophobicContact CB-CD2 4.44Å; P1192-L1198 HydrophobicContact CG-CD1 3.94Å; P1192-L1198 HydrophobicContact CG-CD2 4.02Å; R1196-L1198 HydrophobicContact CG-CD2 4.13Å; R1196-L1198 PolarHBondContact O-N 3.12Å; L1198-E1202 VanDerWaalsContact CA-OE2 3.24Å; L1198-E1202 WeakPolarHBondContact CA-OE2 3.19Å; L1198-F1204 HydrophobicContact CD2-CZ 4.06Å; L1198-R1283 CarbonylContact O-C 3.21Å; L1198-R1283 VanDerWaalsContact O-CA 3.29Å; L1198-R1283 WeakPolarHBondContact O-CA 3.29Å; L1198-L1284 PolarHBondContact O-N 3.24Å | ||
| 1199 | L | 73.9 | Confident | 76.7 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -80.9 | 148.1 | 167.7 | -58.9 | 169.8 | 0 | 0 | 0 | 111.2 | A1201 E1202 I1226 I1244 P1281 R1283 | L1199-A1201 PolarHBondContact O-N 3.35Å; L1199-E1202 HydrophobicContact CB-CB 4.01Å; L1199-E1202 PolarHBondContact N-OE2 3.45Å; L1199-E1202 WeakPolarHBondContact O-CB 3.25Å; L1199-E1202 PolarHBondContact O-N 3.44Å; L1199-I1226 HydrophobicContact CD1-CD1 3.8Å; L1199-I1226 HydrophobicContact CD1-CG1 4Å; L1199-I1244 HydrophobicContact CD1-CB 4.32Å; L1199-I1244 HydrophobicContact CD1-CD1 4.42Å; L1199-I1244 HydrophobicContact CD1-CG2 3.78Å; L1199-P1281 HydrophobicContact CD2-CB 3.64Å; L1199-R1283 HydrophobicContact CD2-CG 3.66Å; L1199-R1283 HydrophobicContact CG-CG 4.43Å |
| 1200 | A | 71 | Confident | 76.9 | Confident | 86 Ų | 86 | 48.8 Ų | 48.8 | 71% | 0.711 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1201 | A | 81.4 | Confident | 77.6 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 26% | 0.264 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.4 | 32.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1199 I1244 | L1199-A1201 PolarHBondContact O-N 3.35Å; A1201-I1244 HydrophobicContact CB-CD1 4.42Å; A1201-I1244 HydrophobicContact CB-CG1 4.34Å; A1201-I1244 PolarHBondContact O-N 3.42Å |
| 1202 | E | 88.2 | Confident | 78.2 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 136 | 178.5 | -155.9 | 165.5 | 151.9 | 0 | 0 | 111.4 | P1187 R1196 L1198 L1199 F1204 I1244 | P1187-E1202 VanDerWaalsContact CD-O 3.27Å; P1187-E1202 WeakPolarHBondContact CD-O 3.26Å; P1187-E1202 HydrophobicContact CG-CB 4.45Å; R1196-E1202 IonicContact CZ-OE1 2.68Å; R1196-E1202 IonicContact NE-OE1 2.96Å; R1196-E1202 IonicContact NH2-OE1 3.64Å; R1196-E1202 PolarHBondContact NH2-OE1 3.08Å; L1198-E1202 VanDerWaalsContact CA-OE2 3.24Å; L1198-E1202 WeakPolarHBondContact CA-OE2 3.19Å; L1199-E1202 HydrophobicContact CB-CB 4.01Å; L1199-E1202 PolarHBondContact N-OE2 3.45Å; L1199-E1202 WeakPolarHBondContact O-CB 3.25Å; L1199-E1202 PolarHBondContact O-N 3.44Å; E1202-F1204 HydrophobicContact CG-CE1 4.05Å; E1202-F1204 HydrophobicContact CG-CZ 4.02Å; E1202-F1204 WeakPolarHBondContact OE1-CE1 3.35Å; E1202-F1204 WeakPolarHBondContact OE1-CZ 3.48Å; E1202-I1244 CarbonylContact C-O 3.52Å; E1202-I1244 VanDerWaalsContact CA-O 3.27Å; E1202-I1244 WeakPolarHBondContact CA-O 3.26Å |
| 1203 | V | 90.3 | Very high | 79.1 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 152.5 | 168.3 | -65 | 0 | 0 | 0 | 0 | 109.9 | I1129 Y1184 L1185 V1223 F1243 I1244 C1245 | I1129-V1203 HydrophobicContact CD1-CG1 3.86Å; Y1184-V1203 HydrophobicContact CD1-CG2 4.18Å; L1185-V1203 CarbonylContact O-C 3.58Å; L1185-V1203 WeakPolarHBondContact O-CA 3.36Å; V1203-V1223 HydrophobicContact CG2-CG1 3.62Å; V1203-V1223 HydrophobicContact CG2-CG2 4.21Å; V1203-F1243 HydrophobicContact CB-CB 4.46Å; V1203-F1243 HydrophobicContact CG1-CB 3.85Å; V1203-F1243 HydrophobicContact CG1-CD1 3.83Å; V1203-F1243 HydrophobicContact CG1-CG 4.07Å; V1203-F1243 HydrophobicContact CG2-CB 3.73Å; V1203-I1244 PolarHBondContact N-O 3.32Å; V1203-C1245 HydrophobicContact CG2-CB 4.46Å; V1203-C1245 WeakPolarHBondContact O-CA 3.48Å; V1203-C1245 PolarHBondContact O-SG 3.36Å; V1203-C1245 VanDerWaalsContact O-SG 3.41Å |
| 1204 | F | 89.8 | Confident | 80 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.7 | -174.4 | -56.3 | -70.9 | 0 | 0 | 0 | 110.9 | Y1184 L1185 P1187 A1190 L1198 E1202 S1247 F1249 F1256 | Y1184-F1204 CarbonylContact C-O 3.37Å; Y1184-F1204 VanDerWaalsContact CA-O 3.28Å; Y1184-F1204 WeakPolarHBondContact CA-O 2.98Å; L1185-F1204 PolarHBondContact N-O 3.13Å; L1185-F1204 PolarHBondContact O-N 2.99Å; P1187-F1204 HydrophobicContact CB-CE2 4.21Å; P1187-F1204 HydrophobicContact CG-CE2 4.02Å; A1190-F1204 HydrophobicContact CB-CD2 3.56Å; A1190-F1204 HydrophobicContact CB-CE2 4.01Å; A1190-F1204 HydrophobicContact CB-CG 4.36Å; L1198-F1204 HydrophobicContact CD2-CZ 4.06Å; E1202-F1204 HydrophobicContact CG-CE1 4.05Å; E1202-F1204 HydrophobicContact CG-CZ 4.02Å; E1202-F1204 WeakPolarHBondContact OE1-CE1 3.35Å; E1202-F1204 WeakPolarHBondContact OE1-CZ 3.48Å; F1204-S1247 WeakPolarHBondContact CA-O 3.29Å; F1204-F1249 HydrophobicContact CB-CB 3.82Å; F1204-F1249 HydrophobicContact CG-CB 4.38Å; F1204-F1256 AromaticContact CD1-CD1 3.67Å; F1204-F1256 HydrophobicContact CD1-CD1 3.67Å; F1204-F1256 AromaticContact CD1-CE1 3.65Å; F1204-F1256 HydrophobicContact CD1-CE1 3.65Å; F1204-F1256 HydrophobicContact CD2-CE1 4.01Å; F1204-F1256 AromaticContact CE1-CD1 3.67Å; F1204-F1256 HydrophobicContact CE1-CD1 3.67Å; F1204-F1256 AromaticContact CE1-CE1 3.57Å; F1204-F1256 HydrophobicContact CE1-CE1 3.57Å; F1204-F1256 AromaticContact CE2-CE1 3.93Å; F1204-F1256 HydrophobicContact CE2-CE1 3.93Å; F1204-F1256 HydrophobicContact CG-CD1 4.27Å; F1204-F1256 AromaticContact CG-CE1 3.87Å; F1204-F1256 HydrophobicContact CG-CE1 3.87Å; F1204-F1256 HydrophobicContact CZ-CD1 4.27Å; F1204-F1256 AromaticContact CZ-CE1 3.72Å; F1204-F1256 HydrophobicContact CZ-CE1 3.72Å |
| 1205 | R | 89.7 | Confident | 81.1 | Confident | 22 Ų | 22 | 42.8 Ų | 42.8 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 138.2 | 169.5 | -179.8 | -178.5 | -178 | 166.2 | 6.7 | 108.9 | G1085 E1086 Y1184 S1247 Q1248 F1249 | G1085-R1205 VanDerWaalsContact O-CZ 3.25Å; G1085-R1205 PolarHBondContact O-NE 3.44Å; G1085-R1205 PolarHBondContact O-NH2 3.33Å; E1086-R1205 VanDerWaalsContact CD-NH2 3.26Å; E1086-R1205 IonicContact OE1-NH2 3.96Å; E1086-R1205 IonicContact OE2-NH2 3.92Å; E1086-R1205 PolarHBondContact OE2-NH2 2.91Å; E1086-R1205 VanDerWaalsContact OE2-NH2 3.13Å; Y1184-R1205 HydrophobicContact CD1-CB 4.24Å; Y1184-R1205 HydrophobicContact CE1-CB 3.81Å; Y1184-R1205 HydrophobicContact CE1-CG 4.25Å; R1205-S1247 PolarHBondContact N-O 3.09Å; R1205-Q1248 HydrophobicContact CB-CB 4Å; R1205-Q1248 HydrophobicContact CG-CB 4.43Å; R1205-Q1248 CarbonylContact O-C 3.48Å; R1205-Q1248 WeakPolarHBondContact O-CA 3.5Å; R1205-Q1248 WeakPolarHBondContact O-CB 3.43Å; R1205-F1249 PolarHBondContact O-N 3.32Å |
| 1206 | T | 87.4 | Confident | 82.5 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 166.7 | 173 | 69.9 | 0 | 0 | 0 | 0 | 110.9 | M1183 L1185 L1208 F1249 I1251 | M1183-T1206 PolarHBondContact O-N 3.45Å; M1183-T1206 PolarHBondContact O-OG1 3.44Å; L1185-T1206 HydrophobicContact CB-CG2 4.38Å; L1185-T1206 HydrophobicContact CD1-CG2 3.77Å; L1185-T1206 HydrophobicContact CG-CG2 3.74Å; T1206-L1208 PolarHBondContact O-N 3.2Å; T1206-L1208 WeakPolarHBondContact OG1-CB 3.48Å; T1206-L1208 PolarHBondContact OG1-N 3.28Å; T1206-F1249 HydrophobicContact CG2-CB 4.41Å; T1206-F1249 HydrophobicContact CG2-CD1 4.47Å; T1206-I1251 HydrophobicContact CG2-CD1 4.29Å; T1206-I1251 HydrophobicContact CG2-CG1 4.32Å |
| 1207 | A | 81.7 | Confident | 83.6 | Confident | 57 Ų | 57 | 41.5 Ų | 41.5 | 47% | 0.471 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 5.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1209 | A1207-G1209 PolarHBondContact O-N 2.84Å |
| 1208 | L | 82.6 | Confident | 84.4 | Confident | 49 Ų | 49 | 40.1 Ų | 40.1 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 114.2 | -178.7 | 178.5 | 66.2 | 0 | 0 | 0 | 110.7 | M1183 T1206 E1210 I1251 | M1183-L1208 HydrophobicContact CB-CB 4.18Å; M1183-L1208 HydrophobicContact CB-CD2 4.1Å; M1183-L1208 HydrophobicContact CB-CG 4.16Å; M1183-L1208 WeakPolarHBondContact CB-O 3.45Å; M1183-L1208 HydrophobicContact CG-CD2 4.15Å; M1183-L1208 HydrophobicContact CG-CG 4.07Å; M1183-L1208 WeakPolarHBondContact CG-O 3.42Å; M1183-L1208 PolarHBondContact N-O 3.37Å; T1206-L1208 PolarHBondContact O-N 3.2Å; T1206-L1208 WeakPolarHBondContact OG1-CB 3.48Å; T1206-L1208 PolarHBondContact OG1-N 3.28Å; L1208-E1210 HydrophobicContact CG-CG 4.37Å; L1208-I1251 HydrophobicContact CB-CD1 3.97Å |
| 1209 | G | 82.3 | Confident | 85 | Confident | 22 Ų | 22 | 38.9 Ų | 38.9 | 23% | 0.227 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 138.6 | 164 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1087 L1181 A1207 | E1087-G1209 VanDerWaalsContact OE2-CA 3.29Å; E1087-G1209 WeakPolarHBondContact OE2-CA 3.46Å; E1087-G1209 PolarHBondContact OE2-N 3.4Å; L1181-G1209 CarbonylContact O-C 3.48Å; L1181-G1209 VanDerWaalsContact O-CA 3.29Å; L1181-G1209 WeakPolarHBondContact O-CA 3.45Å; A1207-G1209 PolarHBondContact O-N 2.84Å |
| 1210 | E | 86.5 | Confident | 85.6 | Confident | 65 Ų | 65 | 41.2 Ų | 41.2 | 30% | 0.304 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 153.2 | 174.4 | -78.1 | -71.9 | -174.8 | 0 | 0 | 109.9 | M1120 R1180 L1181 M1183 L1208 | M1120-E1210 HydrophobicContact CE-CB 4.24Å; M1120-E1210 HydrophobicContact CE-CG 4Å; M1120-E1210 HydrophobicContact SD-CG 4.39Å; R1180-E1210 CarbonylContact C-O 3.44Å; R1180-E1210 WeakPolarHBondContact CA-O 3.16Å; L1181-E1210 PolarHBondContact N-O 2.91Å; L1181-E1210 PolarHBondContact O-N 3.35Å; M1183-E1210 HydrophobicContact CE-CG 4.29Å; M1183-E1210 HydrophobicContact CG-CB 3.98Å; M1183-E1210 HydrophobicContact CG-CG 3.75Å; M1183-E1210 HydrophobicContact SD-CB 4.02Å; M1183-E1210 HydrophobicContact SD-CG 4.11Å; L1208-E1210 HydrophobicContact CG-CG 4.37Å |
| 1211 | T | 88.7 | Confident | 86.5 | Confident | 79 Ų | 79 | 37.1 Ų | 37.1 | 49% | 0.485 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 117.1 | 175.7 | -57.6 | 0 | 0 | 0 | 0 | 110.2 | N1178 | N1178-T1211 HydrophobicContact CB-CG2 3.94Å |
| 1212 | V | 88.4 | Confident | 87 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 155.9 | -174.7 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | I1117 V1179 L1181 Q1216 I1217 | I1117-V1212 HydrophobicContact CG2-CG1 3.98Å; V1179-V1212 HydrophobicContact CB-CG2 4.08Å; V1179-V1212 PolarHBondContact N-O 2.88Å; V1179-V1212 PolarHBondContact O-N 2.96Å; L1181-V1212 HydrophobicContact CD1-CB 4.46Å; L1181-V1212 HydrophobicContact CD1-CG1 3.89Å; L1181-V1212 HydrophobicContact CD1-CG2 3.67Å; L1181-V1212 HydrophobicContact CG-CG2 4.05Å; V1212-Q1216 HydrophobicContact CB-CB 4.36Å; V1212-I1217 HydrophobicContact CG2-CD1 4Å; V1212-I1217 HydrophobicContact CG2-CG1 3.94Å |
| 1213 | Q | 86.6 | Confident | 87.2 | Confident | 75 Ų | 75 | 35.7 Ų | 35.7 | 35% | 0.35 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 151.4 | 169.4 | -68.2 | -61.2 | -48.2 | 0 | 0 | 110.6 | N1178 N1215 Q1216 | N1178-Q1213 PolarHBondContact OD1-NE2 2.81Å; Q1213-N1215 WeakPolarHBondContact CB-OD1 3.28Å; Q1213-N1215 PolarHBondContact O-N 2.7Å; Q1213-Q1216 WeakPolarHBondContact O-CB 3.49Å; Q1213-Q1216 PolarHBondContact O-N 3.21Å |
| 1214 | I | 85.5 | Confident | 87.2 | Confident | 45 Ų | 45 | 35.7 Ų | 35.7 | 23% | 0.231 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -49.3 | -38.4 | -176.6 | -54.5 | 176.9 | 0 | 0 | 0 | 112.8 | F1102 A1104 I1177 Q1216 I1217 | F1102-I1214 HydrophobicContact CD2-CG1 4.43Å; F1102-I1214 HydrophobicContact CD2-CG2 3.83Å; F1102-I1214 HydrophobicContact CE2-CG2 3.9Å; A1104-I1214 HydrophobicContact CB-CG2 3.31Å; I1177-I1214 HydrophobicContact CB-CD1 3.81Å; I1177-I1214 HydrophobicContact CB-CG1 4.12Å; I1177-I1214 HydrophobicContact CD1-CD1 4.08Å; I1177-I1214 HydrophobicContact CG1-CD1 4.32Å; I1214-Q1216 VanDerWaalsContact C-N 3.32Å; I1214-Q1216 PolarHBondContact O-N 3.15Å; I1214-I1217 PolarHBondContact O-N 3.31Å |
| 1215 | N | 84.1 | Confident | 87.2 | Confident | 112 Ų | 112 | 36.4 Ų | 36.4 | 60% | 0.599 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -68.3 | -25.8 | -176.9 | 61.7 | -22.7 | 0 | 0 | 0 | 114 | R1105 Q1213 I1217 | R1105-N1215 PolarHBondContact NH2-O 3.1Å; Q1213-N1215 WeakPolarHBondContact CB-OD1 3.28Å; Q1213-N1215 PolarHBondContact O-N 2.7Å; N1215-I1217 VanDerWaalsContact C-N 3.27Å; N1215-I1217 PolarHBondContact O-N 3.2Å |
| 1216 | Q | 88.5 | Confident | 87 | Confident | 67 Ų | 67 | 36 Ų | 36 | 31% | 0.313 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -77 | -12.6 | 179.7 | -65 | 171.3 | -47.5 | 0 | 0 | 113 | E1118 V1212 Q1213 I1214 M1218 | E1118-Q1216 PolarHBondContact N-O 2.78Å; V1212-Q1216 HydrophobicContact CB-CB 4.36Å; Q1213-Q1216 WeakPolarHBondContact O-CB 3.49Å; Q1213-Q1216 PolarHBondContact O-N 3.21Å; I1214-Q1216 VanDerWaalsContact C-N 3.32Å; I1214-Q1216 PolarHBondContact O-N 3.15Å; Q1216-M1218 PolarHBondContact O-N 2.94Å |
| 1217 | I | 87.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 112.7 | 176.6 | -68.1 | 174.6 | 0 | 0 | 0 | 108.7 | F1102 R1105 Y1109 V1115 V1179 V1212 I1214 N1215 | F1102-I1217 HydrophobicContact CE1-CD1 4.39Å; F1102-I1217 HydrophobicContact CE2-CD1 4.25Å; F1102-I1217 HydrophobicContact CZ-CD1 3.54Å; R1105-I1217 WeakPolarHBondContact CD-O 3.39Å; R1105-I1217 PolarHBondContact NE-O 3.11Å; Y1109-I1217 HydrophobicContact CD1-CG2 4.24Å; Y1109-I1217 HydrophobicContact CE1-CG2 3.71Å; Y1109-I1217 HydrophobicContact CE2-CG2 4.33Å; V1115-I1217 HydrophobicContact CB-CG2 4.04Å; V1115-I1217 HydrophobicContact CG1-CG2 3.91Å; V1115-I1217 HydrophobicContact CG2-CG1 4.47Å; V1179-I1217 HydrophobicContact CB-CD1 4.17Å; V1179-I1217 HydrophobicContact CG1-CD1 3.95Å; V1179-I1217 HydrophobicContact CG2-CD1 4.19Å; V1212-I1217 HydrophobicContact CG2-CD1 4Å; V1212-I1217 HydrophobicContact CG2-CG1 3.94Å; I1214-I1217 PolarHBondContact O-N 3.31Å; N1215-I1217 VanDerWaalsContact C-N 3.27Å; N1215-I1217 PolarHBondContact O-N 3.2Å |
| 1218 | M | 84.9 | Confident | 86.8 | Confident | 78 Ų | 78 | 37.3 Ų | 37.3 | 38% | 0.384 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -31.1 | -170.5 | -68.9 | -69.1 | -76.2 | 0 | 0 | 113 | R1105 Y1116 E1118 Q1216 | R1105-M1218 PolarHBondContact NH1-SD 3.33Å; R1105-M1218 PolarHBondContact NH2-SD 3.45Å; Y1116-M1218 PolarHBondContact O-N 3.35Å; E1118-M1218 HydrophobicContact CB-CG 4.18Å; E1118-M1218 HydrophobicContact CB-SD 4.38Å; Q1216-M1218 PolarHBondContact O-N 2.94Å |
| 1219 | G | 85.2 | Confident | 86.9 | Confident | 12 Ų | 12 | 35.8 Ų | 35.8 | 12% | 0.124 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | 178.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y1109 V1115 Y1116 | Y1109-G1219 WeakPolarHBondContact OH-CA 3.25Å; V1115-G1219 WeakPolarHBondContact CA-O 3.4Å; Y1116-G1219 PolarHBondContact N-O 2.69Å |
| 1220 | R | 86.7 | Confident | 86.9 | Confident | 56 Ų | 56 | 36.6 Ų | 36.6 | 21% | 0.211 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 153.6 | 171.7 | -62.6 | -174.4 | -142.7 | -130.4 | 6.5 | 111.7 | Q1107 T1108 Y1109 D1113 Y1114 Y1116 L1237 | Q1107-R1220 VanDerWaalsContact OE1-NE 3.16Å; T1108-R1220 VanDerWaalsContact O-CZ 3.26Å; T1108-R1220 PolarHBondContact O-NH1 3.44Å; T1108-R1220 PolarHBondContact O-NH2 3.12Å; Y1109-R1220 HydrophobicContact CD1-CG 3.85Å; Y1109-R1220 HydrophobicContact CE1-CG 3.42Å; Y1109-R1220 VanDerWaalsContact CE1-CG 3.42Å; D1113-R1220 IonicContact OD2-CZ 2.69Å; D1113-R1220 IonicContact OD2-NH1 3.59Å; D1113-R1220 PolarHBondContact OD2-NH1 2.76Å; Y1114-R1220 WeakPolarHBondContact O-CA 3.45Å; Y1116-R1220 WeakPolarHBondContact CD2-O 3.43Å; Y1116-R1220 WeakPolarHBondContact CE2-O 3.41Å; R1220-L1237 HydrophobicContact CB-CD1 4.38Å |
| 1221 | C | 91 | Very high | 86.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | -166.6 | 165.6 | 65 | 0 | 0 | 0 | 0 | 108.8 | Y1114 V1115 Y1116 L1237 D1241 F1243 | Y1114-C1221 VanDerWaalsContact CB-O 3.3Å; Y1114-C1221 WeakPolarHBondContact CB-O 3.44Å; Y1114-C1221 PolarHBondContact O-N 2.94Å; V1115-C1221 VanDerWaalsContact C-SG 3.5Å; Y1116-C1221 HydrophobicContact CD1-CB 4.27Å; Y1116-C1221 HydrophobicContact CD2-CB 4.05Å; Y1116-C1221 HydrophobicContact CE1-CB 4Å; Y1116-C1221 HydrophobicContact CE2-CB 3.79Å; Y1116-C1221 HydrophobicContact CG-CB 4.31Å; C1221-L1237 VanDerWaalsContact C-CD2 3.49Å; C1221-D1241 CarbonylContact C-O 3.49Å; C1221-D1241 WeakPolarHBondContact CA-O 3.17Å; C1221-D1241 HydrophobicContact CB-CB 4.41Å; C1221-D1241 WeakPolarHBondContact CB-O 3.49Å; C1221-F1243 HydrophobicContact CB-CE2 4.27Å |
| 1222 | L | 92.1 | Very high | 86.5 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 134.1 | 172.2 | -178.3 | 64.8 | 0 | 0 | 0 | 110.3 | Y1114 M1224 P1234 L1237 D1241 V1242 F1243 P1267 I1270 L1272 | Y1114-L1222 HydrophobicContact CD2-CD1 3.84Å; Y1114-L1222 HydrophobicContact CE2-CD1 4.21Å; L1222-M1224 HydrophobicContact CD2-CG 3.7Å; L1222-M1224 HydrophobicContact CD2-SD 3.7Å; L1222-M1224 HydrophobicContact CG-CG 3.77Å; L1222-M1224 HydrophobicContact CG-SD 4.42Å; L1222-P1234 HydrophobicContact CD2-CB 4.11Å; L1222-P1234 HydrophobicContact CD2-CG 4.14Å; L1222-L1237 HydrophobicContact CB-CD2 3.53Å; L1222-D1241 PolarHBondContact N-O 3.49Å; L1222-V1242 HydrophobicContact CB-CG2 4.5Å; L1222-V1242 CarbonylContact O-C 3.6Å; L1222-V1242 WeakPolarHBondContact O-CA 3.15Å; L1222-F1243 PolarHBondContact O-N 3.17Å; L1222-P1267 HydrophobicContact CD1-CG 4.2Å; L1222-I1270 HydrophobicContact CD1-CD1 4.24Å; L1222-I1270 HydrophobicContact CD2-CG2 4.05Å; L1222-L1272 HydrophobicContact CD2-CD2 4.28Å |
| 1223 | V | 92.2 | Very high | 86.3 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129.5 | 165.2 | -172.4 | 0 | 0 | 0 | 0 | 109.2 | Y1114 I1129 Y1184 V1203 F1243 C1245 W1262 | Y1114-V1223 HydrophobicContact CD1-CB 3.94Å; Y1114-V1223 HydrophobicContact CD1-CG2 3.62Å; Y1114-V1223 HydrophobicContact CE1-CB 3.46Å; Y1114-V1223 VanDerWaalsContact CE1-CB 3.46Å; Y1114-V1223 HydrophobicContact CE1-CG2 3.54Å; I1129-V1223 HydrophobicContact CG2-CG2 3.62Å; Y1184-V1223 HydrophobicContact CD1-CG1 3.98Å; Y1184-V1223 HydrophobicContact CD1-CG2 4.21Å; Y1184-V1223 HydrophobicContact CD2-CG2 4.41Å; Y1184-V1223 HydrophobicContact CE1-CB 4.32Å; Y1184-V1223 HydrophobicContact CE1-CG1 3.82Å; Y1184-V1223 HydrophobicContact CE1-CG2 4.43Å; Y1184-V1223 HydrophobicContact CG-CG2 4.19Å; V1203-V1223 HydrophobicContact CG2-CG1 3.62Å; V1203-V1223 HydrophobicContact CG2-CG2 4.21Å; V1223-F1243 WeakPolarHBondContact CA-O 3.46Å; V1223-F1243 HydrophobicContact CG2-CB 4.35Å; V1223-C1245 HydrophobicContact CG1-CB 3.78Å; V1223-W1262 HydrophobicContact CG1-CH2 4.12Å; V1223-W1262 HydrophobicContact CG1-CZ2 4.44Å |
| 1224 | M | 89 | Confident | 86.3 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 145.3 | 179.1 | -58.2 | -174.7 | 69.7 | 0 | 0 | 110.4 | L1222 Q1228 F1229 Y1232 V1242 F1243 I1244 C1245 L1272 | L1222-M1224 HydrophobicContact CD2-CG 3.7Å; L1222-M1224 HydrophobicContact CD2-SD 3.7Å; L1222-M1224 HydrophobicContact CG-CG 3.77Å; L1222-M1224 HydrophobicContact CG-SD 4.42Å; M1224-Q1228 HydrophobicContact CB-CB 4.4Å; M1224-Q1228 HydrophobicContact CE-CB 3.9Å; M1224-F1229 HydrophobicContact CB-CB 4.33Å; M1224-F1229 HydrophobicContact SD-CD2 4.4Å; M1224-Y1232 HydrophobicContact CE-CD2 4.47Å; M1224-V1242 HydrophobicContact CG-CG1 3.91Å; M1224-V1242 HydrophobicContact SD-CG1 3.62Å; M1224-F1243 PolarHBondContact N-O 2.88Å; M1224-I1244 CarbonylContact O-C 3.57Å; M1224-I1244 WeakPolarHBondContact O-CA 3.27Å; M1224-C1245 PolarHBondContact O-N 2.84Å; M1224-L1272 HydrophobicContact CE-CD1 3.69Å; M1224-L1272 HydrophobicContact CE-CD2 3.63Å; M1224-L1272 HydrophobicContact CE-CG 4.34Å; M1224-L1272 HydrophobicContact SD-CD2 4.27Å |
| 1225 | H | 90.6 | Very high | 86 | Confident | 16 Ų | 16 | 36.7 Ų | 36.7 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 148.1 | 167.6 | -166.4 | -128 | 0 | 0 | 0 | 110.6 | S1227 Q1228 F1229 C1245 W1262 | H1225-S1227 PolarHBondContact CE1-OG 3.31Å; H1225-S1227 VanDerWaalsContact CE1-OG 3.22Å; H1225-S1227 PolarHBondContact ND1-OG 2.94Å; H1225-S1227 VanDerWaalsContact ND1-OG 3.14Å; H1225-S1227 PolarHBondContact O-N 3.2Å; H1225-Q1228 HydrophobicContact CB-CB 4.45Å; H1225-Q1228 HydrophobicContact CB-CG 4.25Å; H1225-Q1228 CarbonylContact O-C 3.54Å; H1225-Q1228 WeakPolarHBondContact O-CA 3.49Å; H1225-Q1228 WeakPolarHBondContact O-CB 3.05Å; H1225-Q1228 PolarHBondContact O-N 3.23Å; H1225-F1229 PolarHBondContact O-N 2.87Å; H1225-C1245 CarbonylContact C-O 3.58Å; H1225-C1245 WeakPolarHBondContact CA-O 3.45Å; H1225-C1245 PolarHBondContact CD2-O 3.12Å; H1225-W1262 HydrophobicContact CB-CB 4.08Å; H1225-W1262 HydrophobicContact CB-CD2 3.62Å; H1225-W1262 HydrophobicContact CB-CE3 4Å; H1225-W1262 HydrophobicContact CB-CG 3.64Å; H1225-W1262 AromaticContact CD2-CE3 3.87Å |
| 1226 | I | 84.9 | Confident | 85.8 | Confident | 14 Ų | 14 | 36.7 Ų | 36.7 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -50.3 | -44.2 | 174.7 | -168.8 | -173.1 | 0 | 0 | 0 | 111.9 | L1199 Q1228 F1229 I1230 I1244 C1245 E1246 P1281 | L1199-I1226 HydrophobicContact CD1-CD1 3.8Å; L1199-I1226 HydrophobicContact CD1-CG1 4Å; I1226-Q1228 PolarHBondContact O-N 3.34Å; I1226-F1229 PolarHBondContact O-N 3.47Å; I1226-I1230 HydrophobicContact CD1-CD1 4.48Å; I1226-I1230 HydrophobicContact CG1-CD1 4.01Å; I1226-I1230 HydrophobicContact CG1-CG1 4.41Å; I1226-I1230 VanDerWaalsContact O-CG1 3.28Å; I1226-I1230 WeakPolarHBondContact O-CG1 3.5Å; I1226-I1230 PolarHBondContact O-N 3.01Å; I1226-I1244 HydrophobicContact CB-CG2 3.88Å; I1226-I1244 HydrophobicContact CG1-CG2 4.18Å; I1226-C1245 PolarHBondContact N-O 3.28Å; I1226-E1246 HydrophobicContact CB-CB 4.4Å; I1226-E1246 HydrophobicContact CG2-CB 4.1Å; I1226-E1246 HydrophobicContact CG2-CG 4.14Å; I1226-P1281 HydrophobicContact CD1-CG 4.49Å |
| 1227 | S | 81.3 | Confident | 85.4 | Confident | 39 Ų | 39 | 34.8 Ų | 34.8 | 27% | 0.273 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -72.1 | -9.9 | 178.3 | -32.4 | 0 | 0 | 0 | 0 | 114 | H1225 R1231 | H1225-S1227 PolarHBondContact CE1-OG 3.31Å; H1225-S1227 VanDerWaalsContact CE1-OG 3.22Å; H1225-S1227 PolarHBondContact ND1-OG 2.94Å; H1225-S1227 VanDerWaalsContact ND1-OG 3.14Å; H1225-S1227 PolarHBondContact O-N 3.2Å; S1227-R1231 PolarHBondContact O-NE 3.01Å; S1227-R1231 PolarHBondContact O-NH2 3.44Å |
| 1228 | Q | 84.7 | Confident | 84.8 | Confident | 47 Ų | 47 | 39.9 Ų | 39.9 | 22% | 0.22 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -91 | -47.6 | 165.5 | -68.5 | -175.1 | -4.9 | 0 | 0 | 110.1 | M1224 H1225 I1226 I1230 R1231 Y1232 | M1224-Q1228 HydrophobicContact CB-CB 4.4Å; M1224-Q1228 HydrophobicContact CE-CB 3.9Å; H1225-Q1228 HydrophobicContact CB-CB 4.45Å; H1225-Q1228 HydrophobicContact CB-CG 4.25Å; H1225-Q1228 CarbonylContact O-C 3.54Å; H1225-Q1228 WeakPolarHBondContact O-CA 3.49Å; H1225-Q1228 WeakPolarHBondContact O-CB 3.05Å; H1225-Q1228 PolarHBondContact O-N 3.23Å; I1226-Q1228 PolarHBondContact O-N 3.34Å; Q1228-I1230 PolarHBondContact O-N 3.28Å; Q1228-R1231 CarbonylContact O-C 3.55Å; Q1228-R1231 WeakPolarHBondContact O-CA 3.41Å; Q1228-R1231 PolarHBondContact O-N 2.95Å; Q1228-Y1232 HydrophobicContact CB-CD2 4.13Å; Q1228-Y1232 HydrophobicContact CG-CD2 4.49Å; Q1228-Y1232 PolarHBondContact O-N 3.34Å |
| 1229 | F | 85 | Confident | 84.4 | Confident | 17 Ų | 17 | 41 Ų | 41 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.2 | -38 | -177.2 | -173.4 | -91.4 | 0 | 0 | 0 | 113.8 | M1224 H1225 I1226 R1231 V1242 I1244 R1275 F1279 | M1224-F1229 HydrophobicContact CB-CB 4.33Å; M1224-F1229 HydrophobicContact SD-CD2 4.4Å; H1225-F1229 PolarHBondContact O-N 2.87Å; I1226-F1229 PolarHBondContact O-N 3.47Å; F1229-R1231 PolarHBondContact O-N 2.71Å; F1229-R1231 VanDerWaalsContact O-N 3.1Å; F1229-V1242 HydrophobicContact CD2-CG1 3.73Å; F1229-V1242 HydrophobicContact CE2-CB 4.26Å; F1229-V1242 HydrophobicContact CE2-CG1 3.73Å; F1229-I1244 HydrophobicContact CB-CG1 4.31Å; F1229-I1244 HydrophobicContact CB-CG2 4.28Å; F1229-I1244 HydrophobicContact CD1-CD1 3.52Å; F1229-I1244 HydrophobicContact CD1-CG1 3.95Å; F1229-I1244 HydrophobicContact CD2-CD1 4.34Å; F1229-I1244 HydrophobicContact CD2-CG1 3.93Å; F1229-I1244 HydrophobicContact CE1-CD1 3.6Å; F1229-I1244 HydrophobicContact CE1-CG1 4.25Å; F1229-I1244 HydrophobicContact CE2-CD1 4.39Å; F1229-I1244 HydrophobicContact CE2-CG1 4.22Å; F1229-I1244 HydrophobicContact CG-CD1 3.92Å; F1229-I1244 HydrophobicContact CG-CG1 3.78Å; F1229-I1244 HydrophobicContact CZ-CD1 4.05Å; F1229-I1244 HydrophobicContact CZ-CG1 4.37Å; F1229-R1275 VanDerWaalsContact O-CD 3.25Å; F1229-R1275 WeakPolarHBondContact O-CD 3.3Å; F1229-R1275 PolarHBondContact O-NE 3.11Å; F1229-F1279 HydrophobicContact CD1-CD1 4.04Å; F1229-F1279 HydrophobicContact CD1-CE1 4.46Å; F1229-F1279 HydrophobicContact CD1-CG 4.36Å; F1229-F1279 HydrophobicContact CE1-CB 4.46Å; F1229-F1279 AromaticContact CE1-CD1 3.64Å; F1229-F1279 HydrophobicContact CE1-CD1 3.64Å; F1229-F1279 HydrophobicContact CE1-CD2 4.14Å; F1229-F1279 AromaticContact CE1-CE1 3.79Å; F1229-F1279 HydrophobicContact CE1-CE1 3.79Å; F1229-F1279 HydrophobicContact CE1-CE2 4.27Å; F1229-F1279 AromaticContact CE1-CG 3.83Å; F1229-F1279 HydrophobicContact CE1-CG 3.83Å; F1229-F1279 HydrophobicContact CE1-CZ 4.1Å |
| 1230 | I | 81.4 | Confident | 84.1 | Confident | 39 Ų | 39 | 49.1 Ų | 49.1 | 20% | 0.2 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -29.9 | 173.2 | -70.7 | 164.4 | 0 | 0 | 0 | 112.1 | I1226 Q1228 P1278 F1279 P1281 | I1226-I1230 HydrophobicContact CD1-CD1 4.48Å; I1226-I1230 HydrophobicContact CG1-CD1 4.01Å; I1226-I1230 HydrophobicContact CG1-CG1 4.41Å; I1226-I1230 VanDerWaalsContact O-CG1 3.28Å; I1226-I1230 WeakPolarHBondContact O-CG1 3.5Å; I1226-I1230 PolarHBondContact O-N 3.01Å; Q1228-I1230 PolarHBondContact O-N 3.28Å; I1230-P1278 HydrophobicContact CG2-CB 3.86Å; I1230-P1278 CarbonylContact O-C 3.5Å; I1230-P1278 VanDerWaalsContact O-CA 3.26Å; I1230-P1278 WeakPolarHBondContact O-CA 3.23Å; I1230-F1279 PolarHBondContact O-N 3.39Å; I1230-P1281 HydrophobicContact CD1-CG 3.74Å; I1230-P1281 HydrophobicContact CG1-CG 3.66Å |
| 1231 | R | 81.2 | Confident | 84.2 | Confident | 65 Ų | 65 | 47.7 Ų | 47.7 | 25% | 0.245 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | -13.8 | -161.3 | -91.1 | 127.8 | 44.1 | 140.2 | -14.7 | 114.3 | S1227 Q1228 F1229 A1274 R1275 H2032 I2035 | S1227-R1231 PolarHBondContact O-NE 3.01Å; S1227-R1231 PolarHBondContact O-NH2 3.44Å; Q1228-R1231 CarbonylContact O-C 3.55Å; Q1228-R1231 WeakPolarHBondContact O-CA 3.41Å; Q1228-R1231 PolarHBondContact O-N 2.95Å; F1229-R1231 PolarHBondContact O-N 2.71Å; F1229-R1231 VanDerWaalsContact O-N 3.1Å; R1231-A1274 CarbonylContact O-C 3.55Å; R1231-R1275 PolarHBondContact O-N 3.11Å; R1231-H2032 PolarHBondContact O-NE2 2.91Å; R1231-I2035 HydrophobicContact CB-CD1 3.59Å; R1231-I2035 HydrophobicContact CB-CG1 3.93Å; R1231-I2035 HydrophobicContact CG-CD1 4.3Å; R1231-I2035 HydrophobicContact CG-CG1 4.37Å |
| 1232 | Y | 85.2 | Confident | 84 | Confident | 43 Ų | 43 | 48 Ų | 48 | 17% | 0.169 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 158.1 | -178.5 | -68 | -64 | 0 | 0 | 0 | 113.1 | M1224 Q1228 L1272 E1273 R1275 I2035 | M1224-Y1232 HydrophobicContact CE-CD2 4.47Å; Q1228-Y1232 HydrophobicContact CB-CD2 4.13Å; Q1228-Y1232 HydrophobicContact CG-CD2 4.49Å; Q1228-Y1232 PolarHBondContact O-N 3.34Å; Y1232-L1272 HydrophobicContact CD1-CB 3.8Å; Y1232-L1272 HydrophobicContact CD1-CD1 4.17Å; Y1232-L1272 HydrophobicContact CD2-CD1 3.45Å; Y1232-L1272 VanDerWaalsContact CD2-CD1 3.45Å; Y1232-L1272 HydrophobicContact CE1-CB 4.14Å; Y1232-L1272 HydrophobicContact CE1-CD1 4.46Å; Y1232-L1272 HydrophobicContact CE2-CD1 3.77Å; Y1232-L1272 HydrophobicContact CG-CB 4.03Å; Y1232-L1272 HydrophobicContact CG-CD1 3.66Å; Y1232-L1272 HydrophobicContact CG-CG 4.41Å; Y1232-E1273 CarbonylContact C-O 3.58Å; Y1232-E1273 VanDerWaalsContact CA-O 3.23Å; Y1232-E1273 WeakPolarHBondContact CA-O 3.37Å; Y1232-E1273 WeakPolarHBondContact CB-O 3.45Å; Y1232-E1273 WeakPolarHBondContact CD1-O 3.48Å; Y1232-R1275 PolarHBondContact O-NE 3.03Å; Y1232-R1275 PolarHBondContact O-NH2 3.35Å; Y1232-I2035 HydrophobicContact CD1-CD1 4.28Å; Y1232-I2035 HydrophobicContact CD1-CG1 4.43Å; Y1232-I2035 HydrophobicContact CD2-CD1 3.59Å; Y1232-I2035 HydrophobicContact CE1-CD1 3.9Å; Y1232-I2035 HydrophobicContact CE1-CG1 3.97Å; Y1232-I2035 HydrophobicContact CE2-CD1 3.17Å; Y1232-I2035 HydrophobicContact CE2-CG1 4.15Å; Y1232-I2035 HydrophobicContact CG-CD1 4.15Å |
| 1233 | K | 84.4 | Confident | 84 | Confident | 47 Ų | 47 | 48.8 Ų | 48.8 | 20% | 0.204 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 146.2 | 163.1 | 66.3 | -176.2 | 170.3 | 87.4 | 0 | 109 | L1272 E1273 | K1233-L1272 CarbonylContact O-C 3.41Å; K1233-E1273 WeakPolarHBondContact CE-OE1 3.34Å; K1233-E1273 HydrophobicContact CG-CB 3.97Å; K1233-E1273 PolarHBondContact N-O 3.2Å; K1233-E1273 IonicContact NZ-OE1 2.71Å; K1233-E1273 PolarHBondContact NZ-OE1 3.4Å; K1233-E1273 IonicContact NZ-OE2 3.62Å; K1233-E1273 PolarHBondContact NZ-OE2 3.28Å; K1233-E1273 CarbonylContact O-C 3.48Å; K1233-E1273 WeakPolarHBondContact O-CA 3.43Å; K1233-E1273 WeakPolarHBondContact O-CB 3.33Å; K1233-E1273 PolarHBondContact O-N 3.07Å |
| 1234 | P | 86 | Confident | 83.9 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.039 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 153.3 | 170.1 | 29.4 | -34 | 0 | 0 | 0 | 111.4 | L1222 L1237 V1242 I1270 E1271 L1272 | L1222-P1234 HydrophobicContact CD2-CB 4.11Å; L1222-P1234 HydrophobicContact CD2-CG 4.14Å; P1234-L1237 HydrophobicContact CB-CB 4.08Å; P1234-L1237 HydrophobicContact CG-CB 4.02Å; P1234-V1242 HydrophobicContact CG-CG2 3.57Å; P1234-I1270 HydrophobicContact CB-CG2 4.03Å; P1234-E1271 CarbonylContact C-O 3.48Å; P1234-E1271 WeakPolarHBondContact CA-O 3.22Å; P1234-L1272 HydrophobicContact CB-CD2 4.41Å |
| 1235 | K | 79.7 | Confident | 83.9 | Confident | 106 Ų | 106 | 49 Ų | 49 | 46% | 0.461 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -83.7 | -45.3 | 170.1 | -68.2 | -172.5 | -176 | 173 | 0 | 113 | E1271 E1273 | K1235-E1271 HydrophobicContact CB-CB 4.4Å; K1235-E1271 HydrophobicContact CD-CB 3.91Å; K1235-E1271 WeakPolarHBondContact CD-OE2 3.18Å; K1235-E1271 VanDerWaalsContact CE-OE2 3.32Å; K1235-E1271 WeakPolarHBondContact CE-OE2 3.3Å; K1235-E1271 HydrophobicContact CG-CB 4.19Å; K1235-E1271 PolarHBondContact N-O 3.31Å; K1235-E1271 IonicContact NZ-OE2 2.96Å; K1235-E1271 PolarHBondContact NZ-OE2 3.28Å; K1235-E1273 HydrophobicContact CG-CB 3.81Å; K1235-E1273 HydrophobicContact CG-CG 4.31Å |
| 1236 | N | 79.8 | Confident | 83.7 | Confident | 112 Ų | 112 | 48.6 Ų | 48.6 | 60% | 0.599 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -101 | 19.5 | -164 | -58.5 | -20.5 | 0 | 0 | 0 | 112.6 | G1269 | N1236-G1269 PolarHBondContact ND2-O 3.33Š|
| 1237 | L | 81.5 | Confident | 83.6 | Confident | 28 Ų | 28 | 48.1 Ų | 48.1 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -148.8 | 142.5 | -179.5 | -173.2 | 73.6 | 0 | 0 | 0 | 108.1 | R1220 C1221 L1222 P1234 D1241 V1242 | R1220-L1237 HydrophobicContact CB-CD1 4.38Å; C1221-L1237 VanDerWaalsContact C-CD2 3.49Å; L1222-L1237 HydrophobicContact CB-CD2 3.53Å; P1234-L1237 HydrophobicContact CB-CB 4.08Å; P1234-L1237 HydrophobicContact CG-CB 4.02Å; L1237-D1241 HydrophobicContact CD1-CB 4.04Å; L1237-D1241 HydrophobicContact CD2-CB 4.21Å; L1237-D1241 HydrophobicContact CG-CB 4.06Å; L1237-V1242 HydrophobicContact CD2-CG2 4.29Å |
| 1238 | E | 74.9 | Confident | 83.8 | Confident | 106 Ų | 106 | 48.1 Ų | 48.1 | 50% | 0.495 | 22% | 0.217 | S | C | . | . | trans | -76.9 | 148.2 | -179.3 | -63.2 | 177.2 | 117.9 | 0 | 0 | 111.5 | R1240 D1241 | E1238-R1240 HydrophobicContact CB-CG 3.94Å; E1238-R1240 PolarHBondContact O-N 3.22Å; E1238-R1240 IonicContact OE1-CZ 3.75Å; E1238-R1240 IonicContact OE1-NE 3.48Å; E1238-R1240 IonicContact OE1-NH2 3.09Å; E1238-R1240 PolarHBondContact OE1-NH2 2.95Å; E1238-R1240 IonicContact OE2-CZ 2.94Å; E1238-R1240 IonicContact OE2-NE 2.99Å; E1238-R1240 PolarHBondContact OE2-NE 3.26Å; E1238-R1240 IonicContact OE2-NH2 2.73Å; E1238-R1240 PolarHBondContact OE2-NH2 2.67Å; E1238-D1241 PolarHBondContact O-N 3.19Å | ||
| 1239 | E | 75.9 | Confident | 83.8 | Confident | 101 Ų | 101 | 46.3 Ų | 46.3 | 47% | 0.472 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -63.5 | -18.3 | -176.6 | -59 | -159.2 | 115.2 | 0 | 0 | 114 | D1241 V1242 R1275 | E1239-D1241 PolarHBondContact O-N 3.37Å; E1239-V1242 PolarHBondContact O-N 2.71Å; E1239-R1275 IonicContact OE1-CZ 2.84Å; E1239-R1275 IonicContact OE1-NH1 2.73Å; E1239-R1275 PolarHBondContact OE1-NH1 3.36Å; E1239-R1275 IonicContact OE1-NH2 3.16Å; E1239-R1275 PolarHBondContact OE1-NH2 3.28Å |
| 1240 | R | 79.3 | Confident | 83.5 | Confident | 183 Ų | 183 | 47.3 Ų | 47.3 | 69% | 0.691 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -68.8 | -19.8 | 173.8 | 62.6 | 174.4 | 167.8 | -170.4 | -5.8 | 113.7 | E1238 | E1238-R1240 HydrophobicContact CB-CG 3.94Å; E1238-R1240 PolarHBondContact O-N 3.22Å; E1238-R1240 IonicContact OE1-CZ 3.75Å; E1238-R1240 IonicContact OE1-NE 3.48Å; E1238-R1240 IonicContact OE1-NH2 3.09Å; E1238-R1240 PolarHBondContact OE1-NH2 2.95Å; E1238-R1240 IonicContact OE2-CZ 2.94Å; E1238-R1240 IonicContact OE2-NE 2.99Å; E1238-R1240 PolarHBondContact OE2-NE 3.26Å; E1238-R1240 IonicContact OE2-NH2 2.73Å; E1238-R1240 PolarHBondContact OE2-NH2 2.67Å |
| 1241 | D | 87.6 | Confident | 83.3 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 14% | 0.144 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -103.1 | 15.5 | -178.7 | -55.6 | -57.8 | 0 | 0 | 0 | 112.4 | Y1116 C1221 L1222 L1237 E1238 E1239 | Y1116-D1241 HydrophobicContact CE2-CB 4.17Å; Y1116-D1241 WeakPolarHBondContact CE2-OD1 3.43Å; Y1116-D1241 WeakPolarHBondContact OH-CA 3.5Å; Y1116-D1241 PolarHBondContact OH-OD1 3.2Å; C1221-D1241 CarbonylContact C-O 3.49Å; C1221-D1241 WeakPolarHBondContact CA-O 3.17Å; C1221-D1241 HydrophobicContact CB-CB 4.41Å; C1221-D1241 WeakPolarHBondContact CB-O 3.49Å; L1222-D1241 PolarHBondContact N-O 3.49Å; L1237-D1241 HydrophobicContact CD1-CB 4.04Å; L1237-D1241 HydrophobicContact CD2-CB 4.21Å; L1237-D1241 HydrophobicContact CG-CB 4.06Å; E1238-D1241 PolarHBondContact O-N 3.19Å; E1239-D1241 PolarHBondContact O-N 3.37Å |
| 1242 | V | 87.9 | Confident | 82.8 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 119 | 179 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | L1222 M1224 F1229 P1234 L1237 E1239 | L1222-V1242 HydrophobicContact CB-CG2 4.5Å; L1222-V1242 CarbonylContact O-C 3.6Å; L1222-V1242 WeakPolarHBondContact O-CA 3.15Å; M1224-V1242 HydrophobicContact CG-CG1 3.91Å; M1224-V1242 HydrophobicContact SD-CG1 3.62Å; F1229-V1242 HydrophobicContact CD2-CG1 3.73Å; F1229-V1242 HydrophobicContact CE2-CB 4.26Å; F1229-V1242 HydrophobicContact CE2-CG1 3.73Å; P1234-V1242 HydrophobicContact CG-CG2 3.57Å; L1237-V1242 HydrophobicContact CD2-CG2 4.29Å; E1239-V1242 PolarHBondContact O-N 2.71Å |
| 1243 | F | 91.4 | Very high | 82.1 | Confident | 19 Ų | 19 | 53.2 Ų | 53.2 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 154.3 | 178.9 | -60.7 | -87.3 | 0 | 0 | 0 | 111.3 | Y1116 I1129 V1203 C1221 L1222 V1223 M1224 | Y1116-F1243 AromaticContact CE1-CE2 3.7Å; Y1116-F1243 HydrophobicContact CE1-CE2 3.7Å; Y1116-F1243 AromaticContact CE1-CZ 3.92Å; Y1116-F1243 HydrophobicContact CE1-CZ 3.92Å; Y1116-F1243 AromaticContact CZ-CE2 3.92Å; Y1116-F1243 WeakPolarHBondContact OH-CE2 3.08Å; I1129-F1243 HydrophobicContact CD1-CB 4.49Å; I1129-F1243 HydrophobicContact CD1-CD1 3.7Å; I1129-F1243 HydrophobicContact CD1-CD2 3.63Å; I1129-F1243 HydrophobicContact CD1-CE1 3.76Å; I1129-F1243 HydrophobicContact CD1-CE2 3.7Å; I1129-F1243 HydrophobicContact CD1-CG 3.64Å; I1129-F1243 HydrophobicContact CD1-CZ 3.78Å; I1129-F1243 HydrophobicContact CG1-CD2 4.33Å; I1129-F1243 HydrophobicContact CG1-CE2 4.22Å; V1203-F1243 HydrophobicContact CB-CB 4.46Å; V1203-F1243 HydrophobicContact CG1-CB 3.85Å; V1203-F1243 HydrophobicContact CG1-CD1 3.83Å; V1203-F1243 HydrophobicContact CG1-CG 4.07Å; V1203-F1243 HydrophobicContact CG2-CB 3.73Å; C1221-F1243 HydrophobicContact CB-CE2 4.27Å; L1222-F1243 PolarHBondContact O-N 3.17Å; V1223-F1243 WeakPolarHBondContact CA-O 3.46Å; V1223-F1243 HydrophobicContact CG2-CB 4.35Å; M1224-F1243 PolarHBondContact N-O 2.88Å |
| 1244 | I | 89.6 | Confident | 81.6 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.4 | -171.9 | -46.3 | 172.9 | 0 | 0 | 0 | 109.8 | L1199 A1201 E1202 V1203 M1224 I1226 F1229 | L1199-I1244 HydrophobicContact CD1-CB 4.32Å; L1199-I1244 HydrophobicContact CD1-CD1 4.42Å; L1199-I1244 HydrophobicContact CD1-CG2 3.78Å; A1201-I1244 HydrophobicContact CB-CD1 4.42Å; A1201-I1244 HydrophobicContact CB-CG1 4.34Å; A1201-I1244 PolarHBondContact O-N 3.42Å; E1202-I1244 CarbonylContact C-O 3.52Å; E1202-I1244 VanDerWaalsContact CA-O 3.27Å; E1202-I1244 WeakPolarHBondContact CA-O 3.26Å; V1203-I1244 PolarHBondContact N-O 3.32Å; M1224-I1244 CarbonylContact O-C 3.57Å; M1224-I1244 WeakPolarHBondContact O-CA 3.27Å; I1226-I1244 HydrophobicContact CB-CG2 3.88Å; I1226-I1244 HydrophobicContact CG1-CG2 4.18Å; F1229-I1244 HydrophobicContact CB-CG1 4.31Å; F1229-I1244 HydrophobicContact CB-CG2 4.28Å; F1229-I1244 HydrophobicContact CD1-CD1 3.52Å; F1229-I1244 HydrophobicContact CD1-CG1 3.95Å; F1229-I1244 HydrophobicContact CD2-CD1 4.34Å; F1229-I1244 HydrophobicContact CD2-CG1 3.93Å; F1229-I1244 HydrophobicContact CE1-CD1 3.6Å; F1229-I1244 HydrophobicContact CE1-CG1 4.25Å; F1229-I1244 HydrophobicContact CE2-CD1 4.39Å; F1229-I1244 HydrophobicContact CE2-CG1 4.22Å; F1229-I1244 HydrophobicContact CG-CD1 3.92Å; F1229-I1244 HydrophobicContact CG-CG1 3.78Å; F1229-I1244 HydrophobicContact CZ-CD1 4.05Å; F1229-I1244 HydrophobicContact CZ-CG1 4.37Å |
| 1245 | C | 90.7 | Very high | 80.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133.2 | 172.8 | -167.4 | 0 | 0 | 0 | 0 | 110.8 | V1203 V1223 M1224 H1225 I1226 S1247 W1262 | V1203-C1245 HydrophobicContact CG2-CB 4.46Å; V1203-C1245 WeakPolarHBondContact O-CA 3.48Å; V1203-C1245 PolarHBondContact O-SG 3.36Å; V1203-C1245 VanDerWaalsContact O-SG 3.41Å; V1223-C1245 HydrophobicContact CG1-CB 3.78Å; M1224-C1245 PolarHBondContact O-N 2.84Å; H1225-C1245 CarbonylContact C-O 3.58Å; H1225-C1245 WeakPolarHBondContact CA-O 3.45Å; H1225-C1245 PolarHBondContact CD2-O 3.12Å; I1226-C1245 PolarHBondContact N-O 3.28Å; C1245-S1247 PolarHBondContact SG-O 3.05Å; C1245-W1262 HydrophobicContact CB-CH2 3.59Å; C1245-W1262 HydrophobicContact CB-CZ3 3.64Å |
| 1246 | E | 85.4 | Confident | 80.6 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | -26.6 | 167.3 | 179 | 173.1 | -154.2 | 0 | 0 | 111.6 | I1226 K1258 V1259 R1283 | I1226-E1246 HydrophobicContact CB-CB 4.4Å; I1226-E1246 HydrophobicContact CG2-CB 4.1Å; I1226-E1246 HydrophobicContact CG2-CG 4.14Å; E1246-K1258 HydrophobicContact CG-CD 4.14Å; E1246-K1258 HydrophobicContact CG-CG 4.17Å; E1246-K1258 WeakPolarHBondContact O-CA 3.25Å; E1246-K1258 WeakPolarHBondContact OE1-CE 3.41Å; E1246-K1258 IonicContact OE1-NZ 2.69Å; E1246-K1258 PolarHBondContact OE1-NZ 2.8Å; E1246-V1259 PolarHBondContact O-N 2.79Å; E1246-R1283 VanDerWaalsContact CD-NH2 3.3Å; E1246-R1283 IonicContact OE1-NH2 3.78Å; E1246-R1283 PolarHBondContact OE1-NH2 3.01Å; E1246-R1283 VanDerWaalsContact OE1-NH2 3.12Å; E1246-R1283 IonicContact OE2-CZ 3.66Å; E1246-R1283 VanDerWaalsContact OE2-CZ 3.22Å; E1246-R1283 IonicContact OE2-NH1 4Å; E1246-R1283 PolarHBondContact OE2-NH1 2.7Å; E1246-R1283 IonicContact OE2-NH2 2.61Å; E1246-R1283 PolarHBondContact OE2-NH2 3.3Å |
| 1247 | S | 82.7 | Confident | 80.3 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 145.6 | -177.6 | -52.9 | 0 | 0 | 0 | 0 | 112.2 | R1196 F1204 R1205 C1245 V1257 | R1196-S1247 PolarHBondContact NH2-OG 3.34Å; F1204-S1247 WeakPolarHBondContact CA-O 3.29Å; R1205-S1247 PolarHBondContact N-O 3.09Å; C1245-S1247 PolarHBondContact SG-O 3.05Å; S1247-V1257 CarbonylContact C-O 3.59Å; S1247-V1257 WeakPolarHBondContact CA-O 3.48Å; S1247-V1257 WeakPolarHBondContact CB-O 3.23Å |
| 1248 | Q | 86.1 | Confident | 80.1 | Confident | 38 Ų | 38 | 52.1 Ų | 52.1 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 148.6 | 158.2 | 66.3 | -173.6 | 34.7 | 0 | 0 | 109.4 | R1205 F1256 V1257 V1259 | R1205-Q1248 HydrophobicContact CB-CB 4Å; R1205-Q1248 HydrophobicContact CG-CB 4.43Å; R1205-Q1248 CarbonylContact O-C 3.48Å; R1205-Q1248 WeakPolarHBondContact O-CA 3.5Å; R1205-Q1248 WeakPolarHBondContact O-CB 3.43Å; Q1248-F1256 CarbonylContact O-C 3.57Å; Q1248-F1256 WeakPolarHBondContact O-CA 3.38Å; Q1248-V1257 HydrophobicContact CG-CB 3.89Å; Q1248-V1257 PolarHBondContact N-O 3.18Å; Q1248-V1257 PolarHBondContact O-N 2.97Å; Q1248-V1259 HydrophobicContact CB-CG2 4.11Å; Q1248-V1259 HydrophobicContact CG-CG2 4.48Å |
| 1249 | F | 83.7 | Confident | 80.1 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118.7 | 175.6 | 175.6 | -106.5 | 0 | 0 | 0 | 108.8 | L1185 A1190 F1204 R1205 T1206 I1251 L1255 F1256 | L1185-F1249 HydrophobicContact CD1-CD1 3.97Å; L1185-F1249 HydrophobicContact CD1-CE1 4.28Å; A1190-F1249 HydrophobicContact CB-CD1 4.26Å; A1190-F1249 HydrophobicContact CB-CD2 4.49Å; A1190-F1249 HydrophobicContact CB-CE1 4.4Å; A1190-F1249 HydrophobicContact CB-CG 4.28Å; F1204-F1249 HydrophobicContact CB-CB 3.82Å; F1204-F1249 HydrophobicContact CG-CB 4.38Å; R1205-F1249 PolarHBondContact O-N 3.32Å; T1206-F1249 HydrophobicContact CG2-CB 4.41Å; T1206-F1249 HydrophobicContact CG2-CD1 4.47Å; F1249-I1251 HydrophobicContact CD1-CG1 4.15Å; F1249-I1251 HydrophobicContact CE1-CG1 4.28Å; F1249-I1251 PolarHBondContact O-N 2.71Å; F1249-L1255 WeakPolarHBondContact CA-O 3.32Å; F1249-F1256 HydrophobicContact CB-CD1 4.13Å; F1249-F1256 HydrophobicContact CB-CE1 4.11Å; F1249-F1256 AromaticContact CD2-CD1 3.78Å; F1249-F1256 HydrophobicContact CD2-CD1 3.78Å; F1249-F1256 AromaticContact CD2-CD2 3.98Å; F1249-F1256 HydrophobicContact CD2-CD2 3.98Å; F1249-F1256 AromaticContact CD2-CE1 3.48Å; F1249-F1256 HydrophobicContact CD2-CE1 3.48Å; F1249-F1256 VanDerWaalsContact CD2-CE1 3.48Å; F1249-F1256 AromaticContact CD2-CE2 3.68Å; F1249-F1256 HydrophobicContact CD2-CE2 3.68Å; F1249-F1256 HydrophobicContact CD2-CG 4.02Å; F1249-F1256 AromaticContact CD2-CZ 3.42Å; F1249-F1256 HydrophobicContact CD2-CZ 3.42Å; F1249-F1256 VanDerWaalsContact CD2-CZ 3.42Å; F1249-F1256 HydrophobicContact CE2-CD2 4.3Å; F1249-F1256 HydrophobicContact CE2-CE1 4.21Å; F1249-F1256 AromaticContact CE2-CE2 3.72Å; F1249-F1256 HydrophobicContact CE2-CE2 3.72Å; F1249-F1256 AromaticContact CE2-CZ 3.67Å; F1249-F1256 HydrophobicContact CE2-CZ 3.67Å; F1249-F1256 HydrophobicContact CG-CD1 4.41Å; F1249-F1256 HydrophobicContact CG-CE1 4.09Å; F1249-F1256 HydrophobicContact CG-CZ 4.35Å |
| 1250 | S | 79.9 | Confident | 79.6 | Confident | 38 Ų | 38 | 50.2 Ų | 50.2 | 27% | 0.266 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 109.9 | 173.8 | 177.4 | 0 | 0 | 0 | 0 | 108.9 | T1252 S1253 Q1254 L1255 | S1250-T1252 PolarHBondContact O-N 2.88Å; S1250-S1253 VanDerWaalsContact CB-OG 3.24Å; S1250-S1253 WeakPolarHBondContact CB-OG 3.34Å; S1250-S1253 PolarHBondContact O-N 3.33Å; S1250-S1253 PolarHBondContact OG-N 2.85Å; S1250-S1253 PolarHBondContact OG-OG 3.18Å; S1250-S1253 VanDerWaalsContact OG-OG 3.12Å; S1250-Q1254 VanDerWaalsContact O-CA 3.25Å; S1250-Q1254 WeakPolarHBondContact O-CA 3.17Å; S1250-Q1254 PolarHBondContact O-N 3.33Å; S1250-L1255 PolarHBondContact N-O 3.48Å |
| 1251 | I | 77 | Confident | 79.2 | Confident | 77 Ų | 77 | 47 Ų | 47 | 40% | 0.395 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -35.8 | 176.9 | -57.2 | 176.1 | 0 | 0 | 0 | 110 | T1206 L1208 F1249 Q1254 | T1206-I1251 HydrophobicContact CG2-CD1 4.29Å; T1206-I1251 HydrophobicContact CG2-CG1 4.32Å; L1208-I1251 HydrophobicContact CB-CD1 3.97Å; F1249-I1251 HydrophobicContact CD1-CG1 4.15Å; F1249-I1251 HydrophobicContact CE1-CG1 4.28Å; F1249-I1251 PolarHBondContact O-N 2.71Å; I1251-Q1254 PolarHBondContact O-NE2 3.29Å |
| 1252 | T | 71.2 | Confident | 78.8 | Confident | 135 Ų | 135 | 47.1 Ų | 47.1 | 83% | 0.828 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -39.7 | -177.9 | -45.2 | 0 | 0 | 0 | 0 | 113.2 | S1250 | S1250-T1252 PolarHBondContact O-N 2.88Š|
| 1253 | S | 69.5 | Low | 78.1 | Confident | 60 Ų | 60 | 53.7 Ų | 53.7 | 42% | 0.42 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -7.1 | -179.1 | 66.1 | 0 | 0 | 0 | 0 | 114.8 | S1250 L1255 | S1250-S1253 VanDerWaalsContact CB-OG 3.24Å; S1250-S1253 WeakPolarHBondContact CB-OG 3.34Å; S1250-S1253 PolarHBondContact O-N 3.33Å; S1250-S1253 PolarHBondContact OG-N 2.85Å; S1250-S1253 PolarHBondContact OG-OG 3.18Å; S1250-S1253 VanDerWaalsContact OG-OG 3.12Å; S1253-L1255 PolarHBondContact O-N 2.9Å |
| 1254 | Q | 74 | Confident | 77.4 | Confident | 106 Ų | 106 | 53.5 Ų | 53.5 | 50% | 0.495 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 25.2 | -172.9 | -57.7 | -73.1 | -66.3 | 0 | 0 | 113.7 | T944 S1250 I1251 | T944-Q1254 WeakPolarHBondContact CG2-O 3.47Å; S1250-Q1254 VanDerWaalsContact O-CA 3.25Å; S1250-Q1254 WeakPolarHBondContact O-CA 3.17Å; S1250-Q1254 PolarHBondContact O-N 3.33Å; I1251-Q1254 PolarHBondContact O-NE2 3.29Å |
| 1255 | L | 69.5 | Low | 76.6 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 150.5 | -179.2 | -61.2 | 176.9 | 0 | 0 | 0 | 112.6 | D942 T944 Y1080 F1249 S1250 S1253 | D942-L1255 VanDerWaalsContact OD2-CA 3.28Å; D942-L1255 WeakPolarHBondContact OD2-CA 3.21Å; D942-L1255 WeakPolarHBondContact OD2-CB 3.5Å; D942-L1255 WeakPolarHBondContact OD2-CD2 3.37Å; T944-L1255 HydrophobicContact CG2-CD2 4.24Å; Y1080-L1255 HydrophobicContact CE1-CD1 3.79Å; F1249-L1255 WeakPolarHBondContact CA-O 3.32Å; S1250-L1255 PolarHBondContact N-O 3.48Å; S1253-L1255 PolarHBondContact O-N 2.9Å |
| 1256 | F | 74.1 | Confident | 76.1 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 5% | 0.053 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.5 | 174.6 | -64.5 | -94.5 | 0 | 0 | 0 | 111 | D942 A1190 P1192 F1204 Q1248 F1249 | D942-F1256 HydrophobicContact CB-CB 4.45Å; D942-F1256 WeakPolarHBondContact CB-O 3.42Å; D942-F1256 PolarHBondContact OD2-N 3.41Å; A1190-F1256 HydrophobicContact CB-CE1 4.14Å; A1190-F1256 HydrophobicContact CB-CZ 4.1Å; P1192-F1256 HydrophobicContact CB-CE1 4.43Å; P1192-F1256 HydrophobicContact CB-CE2 4.01Å; P1192-F1256 HydrophobicContact CB-CZ 3.71Å; P1192-F1256 HydrophobicContact CG-CZ 4.45Å; F1204-F1256 AromaticContact CD1-CD1 3.67Å; F1204-F1256 HydrophobicContact CD1-CD1 3.67Å; F1204-F1256 AromaticContact CD1-CE1 3.65Å; F1204-F1256 HydrophobicContact CD1-CE1 3.65Å; F1204-F1256 HydrophobicContact CD2-CE1 4.01Å; F1204-F1256 AromaticContact CE1-CD1 3.67Å; F1204-F1256 HydrophobicContact CE1-CD1 3.67Å; F1204-F1256 AromaticContact CE1-CE1 3.57Å; F1204-F1256 HydrophobicContact CE1-CE1 3.57Å; F1204-F1256 AromaticContact CE2-CE1 3.93Å; F1204-F1256 HydrophobicContact CE2-CE1 3.93Å; F1204-F1256 HydrophobicContact CG-CD1 4.27Å; F1204-F1256 AromaticContact CG-CE1 3.87Å; F1204-F1256 HydrophobicContact CG-CE1 3.87Å; F1204-F1256 HydrophobicContact CZ-CD1 4.27Å; F1204-F1256 AromaticContact CZ-CE1 3.72Å; F1204-F1256 HydrophobicContact CZ-CE1 3.72Å; Q1248-F1256 CarbonylContact O-C 3.57Å; Q1248-F1256 WeakPolarHBondContact O-CA 3.38Å; F1249-F1256 HydrophobicContact CB-CD1 4.13Å; F1249-F1256 HydrophobicContact CB-CE1 4.11Å; F1249-F1256 AromaticContact CD2-CD1 3.78Å; F1249-F1256 HydrophobicContact CD2-CD1 3.78Å; F1249-F1256 AromaticContact CD2-CD2 3.98Å; F1249-F1256 HydrophobicContact CD2-CD2 3.98Å; F1249-F1256 AromaticContact CD2-CE1 3.48Å; F1249-F1256 HydrophobicContact CD2-CE1 3.48Å; F1249-F1256 VanDerWaalsContact CD2-CE1 3.48Å; F1249-F1256 AromaticContact CD2-CE2 3.68Å; F1249-F1256 HydrophobicContact CD2-CE2 3.68Å; F1249-F1256 HydrophobicContact CD2-CG 4.02Å; F1249-F1256 AromaticContact CD2-CZ 3.42Å; F1249-F1256 HydrophobicContact CD2-CZ 3.42Å; F1249-F1256 VanDerWaalsContact CD2-CZ 3.42Å; F1249-F1256 HydrophobicContact CE2-CD2 4.3Å; F1249-F1256 HydrophobicContact CE2-CE1 4.21Å; F1249-F1256 AromaticContact CE2-CE2 3.72Å; F1249-F1256 HydrophobicContact CE2-CE2 3.72Å; F1249-F1256 AromaticContact CE2-CZ 3.67Å; F1249-F1256 HydrophobicContact CE2-CZ 3.67Å; F1249-F1256 HydrophobicContact CG-CD1 4.41Å; F1249-F1256 HydrophobicContact CG-CE1 4.09Å; F1249-F1256 HydrophobicContact CG-CZ 4.35Å |
| 1257 | V | 74.7 | Confident | 75.9 | Confident | 61 Ų | 61 | 61.2 Ų | 61.2 | 37% | 0.37 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127.6 | 177.4 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | S1247 Q1248 V1259 | S1247-V1257 CarbonylContact C-O 3.59Å; S1247-V1257 WeakPolarHBondContact CA-O 3.48Å; S1247-V1257 WeakPolarHBondContact CB-O 3.23Å; Q1248-V1257 HydrophobicContact CG-CB 3.89Å; Q1248-V1257 PolarHBondContact N-O 3.18Å; Q1248-V1257 PolarHBondContact O-N 2.97Å; V1257-V1259 PolarHBondContact O-N 3.25Å |
| 1258 | K | 76.1 | Confident | 75.4 | Confident | 64 Ų | 64 | 64.6 Ų | 64.6 | 28% | 0.278 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 125.1 | 177.8 | -179.1 | 161.6 | 173.6 | 163.1 | 0 | 110.1 | D930 E1246 K1260 | D930-K1258 IonicContact OD2-NZ 3.62Å; D930-K1258 PolarHBondContact OD2-NZ 3.31Å; E1246-K1258 HydrophobicContact CG-CD 4.14Å; E1246-K1258 HydrophobicContact CG-CG 4.17Å; E1246-K1258 WeakPolarHBondContact O-CA 3.25Å; E1246-K1258 WeakPolarHBondContact OE1-CE 3.41Å; E1246-K1258 IonicContact OE1-NZ 2.69Å; E1246-K1258 PolarHBondContact OE1-NZ 2.8Å; K1258-K1260 PolarHBondContact O-N 2.79Å |
| 1259 | V | 75.6 | Confident | 74.9 | Confident | 10 Ų | 10 | 65.3 Ų | 65.3 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | trans | -72.7 | 121 | -177.9 | -174 | 0 | 0 | 0 | 0 | 108.7 | E1246 Q1248 V1257 W1262 | E1246-V1259 PolarHBondContact O-N 2.79Å; Q1248-V1259 HydrophobicContact CB-CG2 4.11Å; Q1248-V1259 HydrophobicContact CG-CG2 4.48Å; V1257-V1259 PolarHBondContact O-N 3.25Å; V1259-W1262 HydrophobicContact CG1-CE3 4.08Å | ||
| 1260 | K | 66.1 | Low | 74.7 | Confident | 158 Ų | 158 | 65.7 Ų | 65.7 | 69% | 0.687 | 37% | 0.368 | S | S | * | . | trans | -87.7 | -52 | 179.3 | -63.9 | -176.5 | -180 | -179.6 | 0 | 111.5 | K1258 | K1258-K1260 PolarHBondContact O-N 2.79Š| ||
| 1261 | D | 71.1 | Confident | 74.8 | Confident | 116 Ų | 116 | 69 Ų | 69 | 62% | 0.62 | 38% | 0.379 | S | S | * | . | trans | -106.1 | 93.2 | -171.2 | -61.4 | -70.6 | 0 | 0 | 0 | 111.5 | N1263 | D1261-N1263 PolarHBondContact O-N 3.36Š| ||
| 1262 | W | 78.2 | Confident | 75.1 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | trans | -83.2 | 65.2 | 176.5 | -165.6 | -89.5 | 0 | 0 | 0 | 111.6 | Y1184 V1223 H1225 C1245 V1259 I1264 | Y1184-W1262 HydrophobicContact CE1-CH2 4.14Å; V1223-W1262 HydrophobicContact CG1-CH2 4.12Å; V1223-W1262 HydrophobicContact CG1-CZ2 4.44Å; H1225-W1262 HydrophobicContact CB-CB 4.08Å; H1225-W1262 HydrophobicContact CB-CD2 3.62Å; H1225-W1262 HydrophobicContact CB-CE3 4Å; H1225-W1262 HydrophobicContact CB-CG 3.64Å; H1225-W1262 AromaticContact CD2-CE3 3.87Å; C1245-W1262 HydrophobicContact CB-CH2 3.59Å; C1245-W1262 HydrophobicContact CB-CZ3 3.64Å; V1259-W1262 HydrophobicContact CG1-CE3 4.08Å; W1262-I1264 HydrophobicContact CD2-CD1 4.35Å; W1262-I1264 HydrophobicContact CH2-CD1 4.14Å; W1262-I1264 HydrophobicContact CZ2-CD1 3.93Å; W1262-I1264 HydrophobicContact CZ3-CD1 4.45Å; W1262-I1264 PolarHBondContact O-N 3.44Å; W1262-I1264 VanDerWaalsContact O-N 3.09Å | ||
| 1263 | N | 74.5 | Confident | 75.7 | Confident | 142 Ų | 142 | 63.2 Ų | 63.2 | 76% | 0.759 | 34% | 0.342 | S | S | * | . | trans | -81.9 | 29.1 | -179.1 | -67.9 | -23.4 | 0 | 0 | 0 | 113.5 | D1261 P1265 | D1261-N1263 PolarHBondContact O-N 3.36Å; N1263-P1265 WeakPolarHBondContact O-CD 3.43Å | ||
| 1264 | I | 74.8 | Confident | 76.2 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 8% | 0.077 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 119.7 | -179.9 | -70.1 | 171.5 | 0 | 0 | 0 | 109.7 | W1262 | W1262-I1264 HydrophobicContact CD2-CD1 4.35Å; W1262-I1264 HydrophobicContact CH2-CD1 4.14Å; W1262-I1264 HydrophobicContact CZ2-CD1 3.93Å; W1262-I1264 HydrophobicContact CZ3-CD1 4.45Å; W1262-I1264 PolarHBondContact O-N 3.44Å; W1262-I1264 VanDerWaalsContact O-N 3.09Å |
| 1265 | P | 74 | Confident | 76.6 | Confident | 85 Ų | 85 | 56.2 Ų | 56.2 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 148.8 | 176.2 | 28.3 | -34.6 | 0 | 0 | 0 | 112 | N1263 | N1263-P1265 WeakPolarHBondContact O-CD 3.43Š|
| 1266 | L | 79.5 | Confident | 76.5 | Confident | 87 Ų | 87 | 56.5 Ų | 56.5 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 145.1 | 178.1 | -87.8 | 157.8 | 0 | 0 | 0 | 112.1 | L1272 | L1266-L1272 HydrophobicContact CD1-CD1 3.72Å; L1266-L1272 HydrophobicContact CD1-CG 3.79Å; L1266-L1272 HydrophobicContact CD2-CD1 3.9Å; L1266-L1272 HydrophobicContact CD2-CD2 4.05Å; L1266-L1272 HydrophobicContact CD2-CG 3.73Å; L1266-L1272 HydrophobicContact CG-CD1 4.35Å; L1266-L1272 HydrophobicContact CG-CG 4.42Å |
| 1267 | P | 80.9 | Confident | 76 | Confident | 7 Ų | 7 | 61 Ų | 61 | 5% | 0.045 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 164.6 | -178.1 | -14.7 | 30.3 | 0 | 0 | 0 | 115 | G1112 D1113 Y1114 L1222 G1269 I1270 | G1112-P1267 WeakPolarHBondContact O-CG 3.44Å; D1113-P1267 HydrophobicContact CB-CB 4.42Å; D1113-P1267 WeakPolarHBondContact OD1-CB 3.23Å; Y1114-P1267 HydrophobicContact CD2-CG 3.86Å; Y1114-P1267 HydrophobicContact CE2-CG 4.35Å; L1222-P1267 HydrophobicContact CD1-CG 4.2Å; P1267-G1269 PolarHBondContact O-N 2.8Å; P1267-I1270 HydrophobicContact CB-CD1 3.99Å; P1267-I1270 HydrophobicContact CB-CG1 4.28Å; P1267-I1270 HydrophobicContact CG-CD1 3.95Å; P1267-I1270 PolarHBondContact O-N 3.45Å; P1267-I1270 VanDerWaalsContact O-N 3.16Å |
| 1268 | T | 73.6 | Confident | 75.5 | Confident | 76 Ų | 76 | 59.5 Ų | 59.5 | 47% | 0.466 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 119.9 | -168.2 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | D1113 | D1113-T1268 PolarHBondContact OD1-N 3.1Š|
| 1269 | G | 74.1 | Confident | 75.1 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 54% | 0.536 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -0.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N1236 P1267 E1271 | N1236-G1269 PolarHBondContact ND2-O 3.33Å; P1267-G1269 PolarHBondContact O-N 2.8Å; G1269-E1271 PolarHBondContact O-N 2.86Å |
| 1270 | I | 79.6 | Confident | 74.7 | Confident | 17 Ų | 17 | 65.7 Ų | 65.7 | 9% | 0.087 | 36% | 0.362 | C | S | . | . | trans | -90.7 | 90.9 | 172.9 | -58.1 | -170.5 | 0 | 0 | 0 | 109.7 | L1222 P1234 P1267 | L1222-I1270 HydrophobicContact CD1-CD1 4.24Å; L1222-I1270 HydrophobicContact CD2-CG2 4.05Å; P1234-I1270 HydrophobicContact CB-CG2 4.03Å; P1267-I1270 HydrophobicContact CB-CD1 3.99Å; P1267-I1270 HydrophobicContact CB-CG1 4.28Å; P1267-I1270 HydrophobicContact CG-CD1 3.95Å; P1267-I1270 PolarHBondContact O-N 3.45Å; P1267-I1270 VanDerWaalsContact O-N 3.16Å | ||
| 1271 | E | 81.6 | Confident | 74.5 | Confident | 108 Ų | 108 | 60.3 Ų | 60.3 | 51% | 0.505 | 34% | 0.343 | S | S | . | . | trans | -74.6 | 127.5 | 168.4 | -71.7 | -171.9 | -154 | 0 | 0 | 111.2 | P1234 K1235 G1269 E1273 | P1234-E1271 CarbonylContact C-O 3.48Å; P1234-E1271 WeakPolarHBondContact CA-O 3.22Å; K1235-E1271 HydrophobicContact CB-CB 4.4Å; K1235-E1271 HydrophobicContact CD-CB 3.91Å; K1235-E1271 WeakPolarHBondContact CD-OE2 3.18Å; K1235-E1271 VanDerWaalsContact CE-OE2 3.32Å; K1235-E1271 WeakPolarHBondContact CE-OE2 3.3Å; K1235-E1271 HydrophobicContact CG-CB 4.19Å; K1235-E1271 PolarHBondContact N-O 3.31Å; K1235-E1271 IonicContact NZ-OE2 2.96Å; K1235-E1271 PolarHBondContact NZ-OE2 3.28Å; G1269-E1271 PolarHBondContact O-N 2.86Å; E1271-E1273 PolarHBondContact O-N 3.06Å | ||
| 1272 | L | 84.9 | Confident | 73.6 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 15% | 0.152 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 110.3 | 166.6 | -66.4 | -170.6 | 0 | 0 | 0 | 110.8 | L1222 M1224 Y1232 K1233 P1234 L1266 | L1222-L1272 HydrophobicContact CD2-CD2 4.28Å; M1224-L1272 HydrophobicContact CE-CD1 3.69Å; M1224-L1272 HydrophobicContact CE-CD2 3.63Å; M1224-L1272 HydrophobicContact CE-CG 4.34Å; M1224-L1272 HydrophobicContact SD-CD2 4.27Å; Y1232-L1272 HydrophobicContact CD1-CB 3.8Å; Y1232-L1272 HydrophobicContact CD1-CD1 4.17Å; Y1232-L1272 HydrophobicContact CD2-CD1 3.45Å; Y1232-L1272 VanDerWaalsContact CD2-CD1 3.45Å; Y1232-L1272 HydrophobicContact CE1-CB 4.14Å; Y1232-L1272 HydrophobicContact CE1-CD1 4.46Å; Y1232-L1272 HydrophobicContact CE2-CD1 3.77Å; Y1232-L1272 HydrophobicContact CG-CB 4.03Å; Y1232-L1272 HydrophobicContact CG-CD1 3.66Å; Y1232-L1272 HydrophobicContact CG-CG 4.41Å; K1233-L1272 CarbonylContact O-C 3.41Å; P1234-L1272 HydrophobicContact CB-CD2 4.41Å; L1266-L1272 HydrophobicContact CD1-CD1 3.72Å; L1266-L1272 HydrophobicContact CD1-CG 3.79Å; L1266-L1272 HydrophobicContact CD2-CD1 3.9Å; L1266-L1272 HydrophobicContact CD2-CD2 4.05Å; L1266-L1272 HydrophobicContact CD2-CG 3.73Å; L1266-L1272 HydrophobicContact CG-CD1 4.35Å; L1266-L1272 HydrophobicContact CG-CG 4.42Å |
| 1273 | E | 82.7 | Confident | 72.9 | Confident | 61 Ų | 61 | 61.9 Ų | 61.9 | 29% | 0.285 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 166.8 | 155.4 | -144.6 | -178.3 | 130.1 | 0 | 0 | 109.7 | Y1232 K1233 K1235 E1271 L2031 | Y1232-E1273 CarbonylContact C-O 3.58Å; Y1232-E1273 VanDerWaalsContact CA-O 3.23Å; Y1232-E1273 WeakPolarHBondContact CA-O 3.37Å; Y1232-E1273 WeakPolarHBondContact CB-O 3.45Å; Y1232-E1273 WeakPolarHBondContact CD1-O 3.48Å; K1233-E1273 WeakPolarHBondContact CE-OE1 3.34Å; K1233-E1273 HydrophobicContact CG-CB 3.97Å; K1233-E1273 PolarHBondContact N-O 3.2Å; K1233-E1273 IonicContact NZ-OE1 2.71Å; K1233-E1273 PolarHBondContact NZ-OE1 3.4Å; K1233-E1273 IonicContact NZ-OE2 3.62Å; K1233-E1273 PolarHBondContact NZ-OE2 3.28Å; K1233-E1273 CarbonylContact O-C 3.48Å; K1233-E1273 WeakPolarHBondContact O-CA 3.43Å; K1233-E1273 WeakPolarHBondContact O-CB 3.33Å; K1233-E1273 PolarHBondContact O-N 3.07Å; K1235-E1273 HydrophobicContact CG-CB 3.81Å; K1235-E1273 HydrophobicContact CG-CG 4.31Å; E1271-E1273 PolarHBondContact O-N 3.06Å; E1273-L2031 HydrophobicContact CG-CD1 4.29Å; E1273-L2031 WeakPolarHBondContact OE1-CD1 3.49Å |
| 1274 | A | 81.5 | Confident | 71.9 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 2% | 0.017 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 176.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | R1231 L2031 H2032 | R1231-A1274 CarbonylContact O-C 3.55Å; A1274-L2031 HydrophobicContact CB-CD2 3.89Å; A1274-L2031 WeakPolarHBondContact O-CD2 3.35Å; A1274-H2032 HydrophobicContact CB-CB 3.77Å; A1274-H2032 VanDerWaalsContact CB-CD2 3.43Å; A1274-H2032 WeakPolarHBondContact CB-CD2 3.46Å |
| 1275 | R | 80.7 | Confident | 70.4 | Confident | 18 Ų | 18 | 63 Ų | 63 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | trans | -108.4 | 134.9 | 167.7 | -69.9 | -165.3 | -179.6 | -74.6 | -8.2 | 113.8 | F1229 R1231 Y1232 E1239 H2032 | F1229-R1275 VanDerWaalsContact O-CD 3.25Å; F1229-R1275 WeakPolarHBondContact O-CD 3.3Å; F1229-R1275 PolarHBondContact O-NE 3.11Å; R1231-R1275 PolarHBondContact O-N 3.11Å; Y1232-R1275 PolarHBondContact O-NE 3.03Å; Y1232-R1275 PolarHBondContact O-NH2 3.35Å; E1239-R1275 IonicContact OE1-CZ 2.84Å; E1239-R1275 IonicContact OE1-NH1 2.73Å; E1239-R1275 PolarHBondContact OE1-NH1 3.36Å; E1239-R1275 IonicContact OE1-NH2 3.16Å; E1239-R1275 PolarHBondContact OE1-NH2 3.28Å; R1275-H2032 PolarHBondContact N-CD2 3.37Å; R1275-H2032 VanDerWaalsContact N-CD2 3.34Å; R1275-H2032 WeakPolarHBondContact O-CB 3.48Å; R1275-H2032 PolarHBondContact O-CD2 2.81Å; R1275-H2032 PolarHBondContact O-ND1 2.85Å; R1275-H2032 PolarHBondContact O-NE2 3.43Å | ||
| 1276 | P | 67.3 | Low | 69.3 | Low | 37 Ų | 37 | 61 Ų | 61 | 24% | 0.24 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -75.7 | -45.9 | -165.6 | 25.4 | -32 | 0 | 0 | 0 | 114.4 | V2030 L2031 L2043 | P1276-V2030 HydrophobicContact CB-CB 3.77Å; P1276-V2030 HydrophobicContact CB-CG1 3.6Å; P1276-V2030 HydrophobicContact CB-CG2 3.32Å; P1276-V2030 HydrophobicContact CG-CB 4.16Å; P1276-V2030 HydrophobicContact CG-CG1 3.56Å; P1276-V2030 HydrophobicContact CG-CG2 3.73Å; P1276-L2031 HydrophobicContact CB-CD2 4.03Å; P1276-L2031 HydrophobicContact CB-CG 4.07Å; P1276-L2031 HydrophobicContact CG-CD2 4.43Å; P1276-L2043 WeakPolarHBondContact O-CD1 3.43Å |
| 1277 | T | 63.4 | Low | 67.4 | Low | 107 Ų | 107 | 64.4 Ų | 64.4 | 66% | 0.656 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -103.9 | 141.6 | 155.2 | 29.3 | 0 | 0 | 0 | 0 | 104.6 | F1279 | T1277-F1279 PolarHBondContact O-N 2.85Š|
| 1278 | P | 64.7 | Low | 65.6 | Low | 29 Ų | 29 | 68.4 Ų | 68.4 | 19% | 0.188 | 39% | 0.386 | C | S | . | . | trans | -63.6 | 138.9 | 178.3 | 28.6 | -30.5 | 0 | 0 | 0 | 108.2 | I1230 V1280 Y2036 | I1230-P1278 HydrophobicContact CG2-CB 3.86Å; I1230-P1278 CarbonylContact O-C 3.5Å; I1230-P1278 VanDerWaalsContact O-CA 3.26Å; I1230-P1278 WeakPolarHBondContact O-CA 3.23Å; P1278-V1280 PolarHBondContact O-N 2.82Å; P1278-V1280 VanDerWaalsContact O-N 3.11Å; P1278-Y2036 HydrophobicContact CB-CE2 4.08Å; P1278-Y2036 HydrophobicContact CG-CE2 3.77Å | ||
| 1279 | F | 68 | Low | 64.3 | Low | 89 Ų | 89 | 68.8 Ų | 68.8 | 39% | 0.39 | 39% | 0.39 | S | S | . | . | trans | -67.1 | 114.1 | 177.6 | -179.4 | -84.9 | 0 | 0 | 0 | 108.5 | F1229 I1230 T1277 P1281 | F1229-F1279 HydrophobicContact CD1-CD1 4.04Å; F1229-F1279 HydrophobicContact CD1-CE1 4.46Å; F1229-F1279 HydrophobicContact CD1-CG 4.36Å; F1229-F1279 HydrophobicContact CE1-CB 4.46Å; F1229-F1279 AromaticContact CE1-CD1 3.64Å; F1229-F1279 HydrophobicContact CE1-CD1 3.64Å; F1229-F1279 HydrophobicContact CE1-CD2 4.14Å; F1229-F1279 AromaticContact CE1-CE1 3.79Å; F1229-F1279 HydrophobicContact CE1-CE1 3.79Å; F1229-F1279 HydrophobicContact CE1-CE2 4.27Å; F1229-F1279 AromaticContact CE1-CG 3.83Å; F1229-F1279 HydrophobicContact CE1-CG 3.83Å; F1229-F1279 HydrophobicContact CE1-CZ 4.1Å; I1230-F1279 PolarHBondContact O-N 3.39Å; T1277-F1279 PolarHBondContact O-N 2.85Å; F1279-P1281 WeakPolarHBondContact O-CD 3.48Å | ||
| 1280 | V | 66.5 | Low | 62.7 | Low | 115 Ų | 115 | 70.7 Ų | 70.7 | 70% | 0.697 | 39% | 0.387 | S | S | * | . | trans | -71.5 | 115.1 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | P1278 T1282 | P1278-V1280 PolarHBondContact O-N 2.82Å; P1278-V1280 VanDerWaalsContact O-N 3.11Å; V1280-T1282 PolarHBondContact O-N 3.07Å | ||
| 1281 | P | 62.2 | Low | 61 | Low | 45 Ų | 45 | 72 Ų | 72 | 29% | 0.292 | 40% | 0.404 | S | S | . | . | trans | -74.1 | 96.2 | -176.2 | -15.4 | 31.6 | 0 | 0 | 0 | 110.7 | L1199 I1226 I1230 F1279 R1283 | L1199-P1281 HydrophobicContact CD2-CB 3.64Å; I1226-P1281 HydrophobicContact CD1-CG 4.49Å; I1230-P1281 HydrophobicContact CD1-CG 3.74Å; I1230-P1281 HydrophobicContact CG1-CG 3.66Å; F1279-P1281 WeakPolarHBondContact O-CD 3.48Å; P1281-R1283 VanDerWaalsContact C-N 3.29Å; P1281-R1283 PolarHBondContact O-N 3.15Å | ||
| 1282 | T | 53.4 | Low | 59.3 | Low | 101 Ų | 101 | 69.5 Ų | 69.5 | 62% | 0.62 | 39% | 0.394 | S | S | * | . | trans | -67.1 | 91.5 | 167.2 | -52.3 | 0 | 0 | 0 | 0 | 108.7 | V1280 L1284 | V1280-T1282 PolarHBondContact O-N 3.07Å; T1282-L1284 PolarHBondContact O-N 2.73Å | ||
| 1283 | R | 63.8 | Low | 57.2 | Low | 78 Ų | 78 | 69.1 Ų | 69.1 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -63.2 | 128 | 160.9 | -66.8 | -178 | -170.5 | -83.7 | 1.5 | 107.3 | R1197 L1198 L1199 E1246 P1281 | R1197-R1283 HydrophobicContact CB-CB 3.96Å; R1197-R1283 WeakPolarHBondContact O-CD 3.33Å; R1197-R1283 PolarHBondContact O-NH1 2.86Å; L1198-R1283 CarbonylContact O-C 3.21Å; L1198-R1283 VanDerWaalsContact O-CA 3.29Å; L1198-R1283 WeakPolarHBondContact O-CA 3.29Å; L1199-R1283 HydrophobicContact CD2-CG 3.66Å; L1199-R1283 HydrophobicContact CG-CG 4.43Å; E1246-R1283 VanDerWaalsContact CD-NH2 3.3Å; E1246-R1283 IonicContact OE1-NH2 3.78Å; E1246-R1283 PolarHBondContact OE1-NH2 3.01Å; E1246-R1283 VanDerWaalsContact OE1-NH2 3.12Å; E1246-R1283 IonicContact OE2-CZ 3.66Å; E1246-R1283 VanDerWaalsContact OE2-CZ 3.22Å; E1246-R1283 IonicContact OE2-NH1 4Å; E1246-R1283 PolarHBondContact OE2-NH1 2.7Å; E1246-R1283 IonicContact OE2-NH2 2.61Å; E1246-R1283 PolarHBondContact OE2-NH2 3.3Å; P1281-R1283 VanDerWaalsContact C-N 3.29Å; P1281-R1283 PolarHBondContact O-N 3.15Å |
| 1284 | L | 51.8 | Low | 55.4 | Low | 92 Ų | 92 | 68.1 Ų | 68.1 | 48% | 0.482 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 134.2 | 174.2 | -64.1 | 174.5 | 0 | 0 | 0 | 108.3 | L1198 T1282 | L1198-L1284 PolarHBondContact O-N 3.24Å; T1282-L1284 PolarHBondContact O-N 2.73Å |
| 1285 | P | 45 | Very low | 53.7 | Low | 88 Ų | 88 | 75.3 Ų | 75.3 | 57% | 0.571 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 142.7 | 173.2 | 28.8 | -34 | 0 | 0 | 0 | 109 | ||
| 1286 | P | 50.8 | Low | 52.1 | Low | 44 Ų | 44 | 80 Ų | 80 | 29% | 0.286 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 139.3 | 155 | 31.7 | -33.1 | 0 | 0 | 0 | 106.6 | R1194 E1288 | R1194-P1286 VanDerWaalsContact O-CB 3.22Å; R1194-P1286 WeakPolarHBondContact O-CB 3.38Å; P1286-E1288 PolarHBondContact O-N 2.81Å |
| 1287 | N | 39.6 | Very low | 51.1 | Low | 157 Ų | 157 | 78.9 Ų | 78.9 | 84% | 0.84 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -76.3 | 59.1 | -166.6 | -78.3 | -20.8 | 0 | 0 | 0 | 113.8 | ||
| 1288 | E | 42.9 | Very low | 50.2 | Low | 91 Ų | 91 | 78.1 Ų | 78.1 | 43% | 0.425 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -170.9 | 155.2 | 162.8 | -107.5 | 166.5 | 131.4 | 0 | 0 | 110.7 | P1286 N1292 Q1296 | P1286-E1288 PolarHBondContact O-N 2.81Å; E1288-N1292 HydrophobicContact CB-CB 4.13Å; E1288-N1292 HydrophobicContact CG-CB 3.96Å; E1288-N1292 VanDerWaalsContact OE1-CB 3.28Å; E1288-N1292 WeakPolarHBondContact OE1-CB 3.37Å; E1288-N1292 PolarHBondContact OE1-ND2 3.27Å; E1288-Q1296 VanDerWaalsContact CD-NE2 3.28Å; E1288-Q1296 PolarHBondContact OE1-NE2 3.17Å; E1288-Q1296 PolarHBondContact OE2-NE2 2.87Å |
| 1289 | P | 44.9 | Very low | 49.1 | Very low | 85 Ų | 85 | 80.4 Ų | 80.4 | 55% | 0.552 | 45% | 0.449 | S | S | * | . | trans | -69.7 | 154.9 | 170.5 | 31.6 | -34 | 0 | 0 | 0 | 111.1 | G1291 N1292 | P1289-G1291 PolarHBondContact O-N 2.97Å; P1289-N1292 PolarHBondContact O-N 3.44Å; P1289-N1292 VanDerWaalsContact O-N 3.15Å | ||
| 1290 | L | 40.9 | Very low | 47.9 | Very low | 92 Ų | 92 | 80.2 Ų | 80.2 | 48% | 0.482 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.5 | -171 | -172.9 | 61.5 | 0 | 0 | 0 | 114.5 | I939 A1293 L1294 | I939-L1290 HydrophobicContact CD1-CD1 4.17Å; L1290-A1293 PolarHBondContact O-N 2.68Å; L1290-L1294 WeakPolarHBondContact O-CG 3.28Å; L1290-L1294 PolarHBondContact O-N 2.91Å |
| 1291 | G | 44.8 | Very low | 46.7 | Very low | 43 Ų | 43 | 80.9 Ų | 80.9 | 44% | 0.443 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -53.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1289 A1293 L1294 E1295 | P1289-G1291 PolarHBondContact O-N 2.97Å; G1291-A1293 PolarHBondContact O-N 3.29Å; G1291-L1294 WeakPolarHBondContact O-CB 3.4Å; G1291-L1294 PolarHBondContact O-N 3.45Å; G1291-E1295 PolarHBondContact O-N 3.36Å |
| 1292 | N | 45.1 | Very low | 45.9 | Very low | 56 Ų | 56 | 81 Ų | 81 | 30% | 0.299 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.1 | -34.9 | 178.9 | -60.2 | 39.8 | 0 | 0 | 0 | 111.8 | E1288 P1289 L1294 E1295 Q1296 | E1288-N1292 HydrophobicContact CB-CB 4.13Å; E1288-N1292 HydrophobicContact CG-CB 3.96Å; E1288-N1292 VanDerWaalsContact OE1-CB 3.28Å; E1288-N1292 WeakPolarHBondContact OE1-CB 3.37Å; E1288-N1292 PolarHBondContact OE1-ND2 3.27Å; P1289-N1292 PolarHBondContact O-N 3.44Å; P1289-N1292 VanDerWaalsContact O-N 3.15Å; N1292-L1294 PolarHBondContact O-N 2.97Å; N1292-E1295 PolarHBondContact O-N 2.98Å; N1292-E1295 VanDerWaalsContact O-N 3.16Å; N1292-Q1296 WeakPolarHBondContact O-CB 3.28Å; N1292-Q1296 WeakPolarHBondContact O-CG 3.48Å; N1292-Q1296 PolarHBondContact O-N 2.85Å |
| 1293 | A | 42.2 | Very low | 45.3 | Very low | 21 Ų | 21 | 81.9 Ų | 81.9 | 17% | 0.174 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -67.8 | -14.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1195 L1290 G1291 | R1195-A1293 PolarHBondContact NH1-O 2.78Å; L1290-A1293 PolarHBondContact O-N 2.68Å; G1291-A1293 PolarHBondContact O-N 3.29Å |
| 1294 | L | 43.6 | Very low | 44.2 | Very low | 40 Ų | 40 | 87.3 Ų | 87.3 | 21% | 0.209 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -92.9 | -33.4 | 170.7 | -58.7 | 170.5 | 0 | 0 | 0 | 111.5 | A957 L1290 G1291 N1292 V1297 | A957-L1294 HydrophobicContact CB-CB 3.91Å; A957-L1294 HydrophobicContact CB-CD1 4.39Å; A957-L1294 HydrophobicContact CB-CD2 3.98Å; A957-L1294 HydrophobicContact CB-CG 4.3Å; L1290-L1294 WeakPolarHBondContact O-CG 3.28Å; L1290-L1294 PolarHBondContact O-N 2.91Å; G1291-L1294 WeakPolarHBondContact O-CB 3.4Å; G1291-L1294 PolarHBondContact O-N 3.45Å; N1292-L1294 PolarHBondContact O-N 2.97Å; L1294-V1297 WeakPolarHBondContact O-CB 2.85Å; L1294-V1297 PolarHBondContact O-N 3.39Å |
| 1295 | E | 46.7 | Very low | 43.6 | Very low | 154 Ų | 154 | 86 Ų | 86 | 72% | 0.72 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.7 | -32.5 | 174.4 | -64.9 | -178 | 151.1 | 0 | 0 | 112.8 | G1291 N1292 V1297 | G1291-E1295 PolarHBondContact O-N 3.36Å; N1292-E1295 PolarHBondContact O-N 2.98Å; N1292-E1295 VanDerWaalsContact O-N 3.16Å; E1295-V1297 PolarHBondContact O-N 2.7Å |
| 1296 | Q | 45.6 | Very low | 43.5 | Very low | 117 Ų | 117 | 89.1 Ų | 89.1 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -5 | 174.3 | -72.8 | 175.7 | 13.6 | 0 | 0 | 114.1 | E1288 N1292 N1298 | E1288-Q1296 VanDerWaalsContact CD-NE2 3.28Å; E1288-Q1296 PolarHBondContact OE1-NE2 3.17Å; E1288-Q1296 PolarHBondContact OE2-NE2 2.87Å; N1292-Q1296 WeakPolarHBondContact O-CB 3.28Å; N1292-Q1296 WeakPolarHBondContact O-CG 3.48Å; N1292-Q1296 PolarHBondContact O-N 2.85Å; Q1296-N1298 PolarHBondContact O-N 2.65Å; Q1296-N1298 VanDerWaalsContact O-N 3.14Å |
| 1297 | V | 46.5 | Very low | 43.5 | Very low | 12 Ų | 12 | 89.5 Ų | 89.5 | 7% | 0.073 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -74.4 | 105 | 170.9 | -175 | 0 | 0 | 0 | 0 | 108.2 | A953 A954 L1294 E1295 S1299 F1302 | A953-V1297 HydrophobicContact CB-CG2 4.41Å; A954-V1297 HydrophobicContact CB-CG1 4.02Å; L1294-V1297 WeakPolarHBondContact O-CB 2.85Å; L1294-V1297 PolarHBondContact O-N 3.39Å; E1295-V1297 PolarHBondContact O-N 2.7Å; V1297-S1299 PolarHBondContact O-N 2.86Å; V1297-S1299 PolarHBondContact O-OG 3.35Å; V1297-F1302 HydrophobicContact CG1-CD2 4.34Å; V1297-F1302 HydrophobicContact CG1-CE2 4Å |
| 1298 | N | 44.3 | Very low | 43.7 | Very low | 91 Ų | 91 | 85.8 Ų | 85.8 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | trans | -56.9 | 95 | -172.7 | 179.1 | 12.3 | 0 | 0 | 0 | 112.1 | Q1296 S1300 L1301 F1302 | Q1296-N1298 PolarHBondContact O-N 2.65Å; Q1296-N1298 VanDerWaalsContact O-N 3.14Å; N1298-S1300 VanDerWaalsContact CG-OG 3.27Å; N1298-S1300 PolarHBondContact ND2-OG 2.83Å; N1298-S1300 PolarHBondContact O-N 2.98Å; N1298-S1300 VanDerWaalsContact O-N 3.12Å; N1298-S1300 PolarHBondContact OD1-N 2.82Å; N1298-S1300 PolarHBondContact OD1-OG 2.77Å; N1298-L1301 PolarHBondContact O-N 2.77Å; N1298-F1302 WeakPolarHBondContact O-CD2 3.44Å | ||
| 1299 | S | 43.2 | Very low | 43.8 | Very low | 78 Ų | 78 | 87.5 Ų | 87.5 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -68.2 | -15.6 | -171.3 | -65.3 | 0 | 0 | 0 | 0 | 113.2 | V1297 L1301 F1302 V1303 | V1297-S1299 PolarHBondContact O-N 2.86Å; V1297-S1299 PolarHBondContact O-OG 3.35Å; S1299-L1301 PolarHBondContact O-N 2.97Å; S1299-F1302 CarbonylContact O-C 3.56Å; S1299-F1302 PolarHBondContact O-N 3.4Å; S1299-V1303 PolarHBondContact O-N 3.08Å |
| 1300 | S | 42.6 | Very low | 44.2 | Very low | 84 Ų | 84 | 86.1 Ų | 86.1 | 59% | 0.587 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -63.3 | -28.2 | 174.1 | 66.9 | 0 | 0 | 0 | 0 | 113.4 | N1298 F1302 | N1298-S1300 VanDerWaalsContact CG-OG 3.27Å; N1298-S1300 PolarHBondContact ND2-OG 2.83Å; N1298-S1300 PolarHBondContact O-N 2.98Å; N1298-S1300 VanDerWaalsContact O-N 3.12Å; N1298-S1300 PolarHBondContact OD1-N 2.82Å; N1298-S1300 PolarHBondContact OD1-OG 2.77Å; S1300-F1302 PolarHBondContact O-N 2.83Å |
| 1301 | L | 40.2 | Very low | 44.7 | Very low | 130 Ų | 130 | 88.2 Ų | 88.2 | 68% | 0.681 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -75.3 | -11.2 | 173.4 | -72.3 | 169.6 | 0 | 0 | 0 | 113.2 | N1298 S1299 | N1298-L1301 PolarHBondContact O-N 2.77Å; S1299-L1301 PolarHBondContact O-N 2.97Å |
| 1302 | F | 45.2 | Very low | 45.2 | Very low | 47 Ų | 47 | 92.3 Ų | 92.3 | 21% | 0.206 | 49% | 0.493 | C | S | . | . | G | 310 helix | trans | -123.6 | 13.1 | -169.9 | -58.2 | -68.1 | 0 | 0 | 0 | 113.7 | V951 V1297 N1298 S1299 S1300 Q1304 M1305 | V951-F1302 HydrophobicContact CG2-CE1 3.88Å; V951-F1302 HydrophobicContact CG2-CZ 4.47Å; V1297-F1302 HydrophobicContact CG1-CD2 4.34Å; V1297-F1302 HydrophobicContact CG1-CE2 4Å; N1298-F1302 WeakPolarHBondContact O-CD2 3.44Å; S1299-F1302 CarbonylContact O-C 3.56Å; S1299-F1302 PolarHBondContact O-N 3.4Å; S1300-F1302 PolarHBondContact O-N 2.83Å; F1302-Q1304 PolarHBondContact O-N 2.91Å; F1302-Q1304 VanDerWaalsContact O-N 3.14Å; F1302-M1305 HydrophobicContact CB-CB 4.41Å; F1302-M1305 HydrophobicContact CD1-CG 4.41Å; F1302-M1305 WeakPolarHBondContact O-CA 3.47Å; F1302-M1305 PolarHBondContact O-N 2.74Å |
| 1303 | V | 42.5 | Very low | 46.3 | Very low | 119 Ų | 119 | 91.9 Ų | 91.9 | 72% | 0.721 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.9 | 173.4 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | S1299 | S1299-V1303 PolarHBondContact O-N 3.08Š|
| 1304 | Q | 40.3 | Very low | 47.9 | Very low | 193 Ų | 193 | 98.1 Ų | 98.1 | 90% | 0.902 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -18.8 | 173.1 | -70.2 | -178.5 | -19.4 | 0 | 0 | 114.3 | F1302 H1306 | F1302-Q1304 PolarHBondContact O-N 2.91Å; F1302-Q1304 VanDerWaalsContact O-N 3.14Å; Q1304-H1306 PolarHBondContact O-N 2.82Å |
| 1305 | M | 38.8 | Very low | 49.9 | Very low | 64 Ų | 64 | 98.6 Ų | 98.6 | 32% | 0.315 | 52% | 0.52 | S | S | . | . | trans | -80.5 | 68.2 | 167.9 | -75 | -148 | 177.7 | 0 | 0 | 109.2 | V951 R955 E989 F1302 Y1307 | V951-M1305 HydrophobicContact CG1-CE 4.06Å; V951-M1305 HydrophobicContact CG1-SD 4.12Å; V951-M1305 HydrophobicContact CG2-CE 4.2Å; R955-M1305 PolarHBondContact NH2-SD 3.02Å; E989-M1305 WeakPolarHBondContact OE2-CE 3.18Å; F1302-M1305 HydrophobicContact CB-CB 4.41Å; F1302-M1305 HydrophobicContact CD1-CG 4.41Å; F1302-M1305 WeakPolarHBondContact O-CA 3.47Å; F1302-M1305 PolarHBondContact O-N 2.74Å; M1305-Y1307 PolarHBondContact O-N 2.98Å | ||
| 1306 | H | 43.9 | Very low | 51.7 | Low | 154 Ų | 154 | 92.2 Ų | 92.2 | 71% | 0.713 | 49% | 0.491 | S | S | * | . | trans | -57.7 | 109.1 | 164.2 | -160.3 | -59.6 | 0 | 0 | 0 | 107.1 | Q1304 | Q1304-H1306 PolarHBondContact O-N 2.82Š| ||
| 1307 | Y | 48.9 | Very low | 53.6 | Low | 51 Ų | 51 | 89.3 Ų | 89.3 | 20% | 0.2 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 133.7 | 178.8 | -135.6 | -103.5 | 0 | 0 | 0 | 108 | R955 A958 I981 M1305 L1309 | R955-Y1307 WeakPolarHBondContact CA-OH 3.41Å; R955-Y1307 HydrophobicContact CB-CE2 3.95Å; R955-Y1307 WeakPolarHBondContact CB-OH 3.46Å; R955-Y1307 WeakPolarHBondContact CD-OH 3.47Å; R955-Y1307 HydrophobicContact CG-CE2 3.86Å; R955-Y1307 PolarHBondContact O-OH 2.91Å; A958-Y1307 HydrophobicContact CB-CD1 3.94Å; A958-Y1307 HydrophobicContact CB-CD2 3.76Å; A958-Y1307 HydrophobicContact CB-CE1 4.23Å; A958-Y1307 HydrophobicContact CB-CE2 4.1Å; A958-Y1307 HydrophobicContact CB-CG 3.69Å; I981-Y1307 VanDerWaalsContact CD1-OH 3.22Å; I981-Y1307 WeakPolarHBondContact CD1-OH 3.22Å; I981-Y1307 VanDerWaalsContact CG1-OH 3.31Å; I981-Y1307 WeakPolarHBondContact CG1-OH 3.39Å; M1305-Y1307 PolarHBondContact O-N 2.98Å; Y1307-L1309 PolarHBondContact O-N 2.83Å |
| 1308 | P | 45.7 | Very low | 55.1 | Low | 80 Ų | 80 | 90 Ų | 90 | 52% | 0.519 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 117.9 | 174.7 | 25.5 | -31.9 | 0 | 0 | 0 | 107.4 | ||
| 1309 | L | 44.9 | Very low | 56.2 | Low | 127 Ų | 127 | 93 Ų | 93 | 67% | 0.665 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 152.2 | 151.8 | -71.8 | 163.4 | 0 | 0 | 0 | 107.6 | Y1307 Q1311 | Y1307-L1309 PolarHBondContact O-N 2.83Å; L1309-Q1311 PolarHBondContact O-N 3.41Å |
| 1310 | P | 51.9 | Low | 57.1 | Low | 56 Ų | 56 | 95.9 Ų | 95.9 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -46 | 129.9 | -175.1 | 18.4 | -33.8 | 0 | 0 | 0 | 111 | T1312 | P1310-T1312 PolarHBondContact O-N 2.87Š|
| 1311 | Q | 52.1 | Low | 57.9 | Low | 135 Ų | 135 | 96 Ų | 96 | 63% | 0.631 | 50% | 0.498 | S | S | * | . | trans | -35.7 | 121.5 | -158.1 | -72 | -173.5 | -4.3 | 0 | 0 | 113.2 | S976 L1309 L1313 | S976-Q1311 PolarHBondContact OG-NE2 3.26Å; L1309-Q1311 PolarHBondContact O-N 3.41Å; Q1311-L1313 PolarHBondContact O-N 3.17Å | ||
| 1312 | T | 54.6 | Low | 58.8 | Low | 130 Ų | 130 | 92.6 Ų | 92.6 | 80% | 0.798 | 48% | 0.483 | S | S | * | . | trans | -56.5 | 106 | -179.5 | 50 | 0 | 0 | 0 | 0 | 110 | P1310 K1314 | P1310-T1312 PolarHBondContact O-N 2.87Å; T1312-K1314 PolarHBondContact O-N 3.33Å | ||
| 1313 | L | 68.5 | Low | 59.2 | Low | 47 Ų | 47 | 99.5 Ų | 99.5 | 25% | 0.246 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 137.3 | -178 | -61.9 | 171.7 | 0 | 0 | 0 | 109.7 | Q1311 V1334 H1473 | Q1311-L1313 PolarHBondContact O-N 3.17Å; L1313-V1334 HydrophobicContact CB-CB 4.44Å; L1313-V1334 HydrophobicContact CB-CG1 4.05Å; L1313-V1334 HydrophobicContact CB-CG2 3.63Å; L1313-V1334 WeakPolarHBondContact O-CB 3.21Å; L1313-V1334 WeakPolarHBondContact O-CG1 3.4Å; L1313-V1334 WeakPolarHBondContact O-CG2 3.38Å; L1313-H1473 HydrophobicContact CD2-CB 4.33Å; L1313-H1473 WeakPolarHBondContact CD2-CD2 3.26Å; L1313-H1473 WeakPolarHBondContact CD2-NE2 3.33Å |
| 1314 | K | 75.6 | Confident | 59.7 | Low | 151 Ų | 151 | 98.2 Ų | 98.2 | 66% | 0.657 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -87.7 | 144.2 | 177.6 | -66.1 | 179.5 | -176.4 | 172.5 | 0 | 110.6 | T1312 Q1332 V1334 | T1312-K1314 PolarHBondContact O-N 3.33Å; K1314-Q1332 PolarHBondContact O-NE2 2.96Å; K1314-V1334 WeakPolarHBondContact O-CG2 3.35Å |
| 1315 | S | 86.3 | Confident | 60.4 | Low | 50 Ų | 50 | 98 Ų | 98 | 35% | 0.35 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 132.8 | 161.9 | -66.5 | 0 | 0 | 0 | 0 | 108.9 | Q1332 V1334 | S1315-Q1332 CarbonylContact C-O 3.57Å; S1315-Q1332 VanDerWaalsContact CA-O 3.3Å; S1315-Q1332 WeakPolarHBondContact CA-O 3.4Å; S1315-V1334 PolarHBondContact OG-N 3.47Å; S1315-V1334 PolarHBondContact OG-O 2.88Å |
| 1316 | I | 85.1 | Confident | 61.9 | Low | 21 Ų | 21 | 97.2 Ų | 97.2 | 11% | 0.108 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 113.9 | -176.4 | -66 | 169.5 | 0 | 0 | 0 | 107.5 | Y1330 E1331 Q1332 D1471 I1472 | I1316-Y1330 WeakPolarHBondContact O-CA 3.43Å; I1316-E1331 PolarHBondContact O-N 3.07Å; I1316-Q1332 HydrophobicContact CB-CB 4.31Å; I1316-Q1332 PolarHBondContact N-O 3.46Å; I1316-Q1332 PolarHBondContact O-N 3.44Å; I1316-D1471 HydrophobicContact CD1-CB 3.66Å; I1316-I1472 HydrophobicContact CB-CG1 4.4Å; I1316-I1472 HydrophobicContact CD1-CD1 4.41Å; I1316-I1472 HydrophobicContact CD1-CG1 3.49Å; I1316-I1472 VanDerWaalsContact CD1-CG1 3.49Å; I1316-I1472 HydrophobicContact CG2-CD1 4.11Å; I1316-I1472 HydrophobicContact CG2-CG1 4.32Å |
| 1317 | V | 84.6 | Confident | 63.7 | Low | 55 Ų | 55 | 91.6 Ų | 91.6 | 33% | 0.333 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 139.5 | -179.6 | 174.5 | 0 | 0 | 0 | 0 | 108.7 | E1319 T1322 V1328 V1329 Y1330 | V1317-E1319 PolarHBondContact O-N 3.35Å; V1317-T1322 HydrophobicContact CG1-CG2 3.6Å; V1317-V1328 HydrophobicContact CG1-CG1 3.87Å; V1317-V1328 HydrophobicContact CG2-CG1 3.96Å; V1317-V1329 WeakPolarHBondContact CA-O 3.36Å; V1317-V1329 WeakPolarHBondContact CG1-O 3.4Å; V1317-Y1330 HydrophobicContact CG2-CD1 3.99Å; V1317-Y1330 HydrophobicContact CG2-CE1 3.69Å |
| 1318 | L | 78.2 | Confident | 65.5 | Low | 27 Ų | 27 | 91.1 Ų | 91.1 | 14% | 0.141 | 50% | 0.495 | C | S | . | . | trans | -90.5 | 95.7 | 171.7 | -173.2 | 78.2 | 0 | 0 | 0 | 108.6 | D1320 L1321 V1329 E1331 T1468 | L1318-D1320 PolarHBondContact O-N 2.74Å; L1318-L1321 HydrophobicContact CD2-CB 4.36Å; L1318-L1321 HydrophobicContact CD2-CD1 3.82Å; L1318-L1321 HydrophobicContact CD2-CG 4.01Å; L1318-L1321 PolarHBondContact O-N 3.29Å; L1318-V1329 HydrophobicContact CB-CG1 4.27Å; L1318-V1329 HydrophobicContact CD2-CG1 4.38Å; L1318-V1329 PolarHBondContact N-O 3.01Å; L1318-E1331 HydrophobicContact CB-CG 4.08Å; L1318-E1331 HydrophobicContact CD1-CG 3.68Å; L1318-E1331 HydrophobicContact CG-CG 4.42Å; L1318-T1468 HydrophobicContact CD1-CG2 3.83Å | ||
| 1319 | E | 67.8 | Low | 67.5 | Low | 154 Ų | 154 | 87.5 Ų | 87.5 | 72% | 0.72 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -55 | -46.6 | -170.2 | -62.4 | -179.8 | 157.1 | 0 | 0 | 112.3 | V1317 L1321 T1322 | V1317-E1319 PolarHBondContact O-N 3.35Å; E1319-L1321 PolarHBondContact O-N 2.9Å; E1319-T1322 PolarHBondContact O-N 3.46Å; E1319-T1322 PolarHBondContact O-OG1 2.88Å |
| 1320 | D | 61.3 | Low | 69.7 | Low | 139 Ų | 139 | 82.9 Ų | 82.9 | 74% | 0.743 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -52.3 | -15.8 | 179.6 | -63.9 | -11.2 | 0 | 0 | 0 | 116.4 | L1318 | L1318-D1320 PolarHBondContact O-N 2.74Š|
| 1321 | L | 60.3 | Low | 71.5 | Confident | 85 Ų | 85 | 80.5 Ų | 80.5 | 45% | 0.445 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -118.6 | 15 | 179.3 | -68 | -174.2 | 0 | 0 | 0 | 114 | L1318 E1319 V1329 | L1318-L1321 HydrophobicContact CD2-CB 4.36Å; L1318-L1321 HydrophobicContact CD2-CD1 3.82Å; L1318-L1321 HydrophobicContact CD2-CG 4.01Å; L1318-L1321 PolarHBondContact O-N 3.29Å; E1319-L1321 PolarHBondContact O-N 2.9Å; L1321-V1329 HydrophobicContact CB-CB 4.17Å; L1321-V1329 HydrophobicContact CB-CG2 3.89Å; L1321-V1329 HydrophobicContact CD1-CG1 4.46Å |
| 1322 | T | 58.9 | Low | 73.4 | Confident | 60 Ų | 60 | 74.2 Ų | 74.2 | 37% | 0.368 | 40% | 0.4 | S | S | . | . | trans | -86 | -11.4 | -177.3 | 55.4 | 0 | 0 | 0 | 0 | 115 | V1317 E1319 T1324 | V1317-T1322 HydrophobicContact CG1-CG2 3.6Å; E1319-T1322 PolarHBondContact O-N 3.46Å; E1319-T1322 PolarHBondContact O-OG1 2.88Å; T1322-T1324 PolarHBondContact O-N 2.97Å | ||
| 1323 | E | 52.8 | Low | 75.2 | Confident | 192 Ų | 192 | 69.8 Ų | 69.8 | 90% | 0.897 | 37% | 0.369 | S | S | * | . | trans | -77.9 | -12 | -172 | -59.1 | -166.1 | 141.2 | 0 | 0 | 115 | ||||
| 1324 | T | 53.2 | Low | 76.1 | Confident | 91 Ų | 91 | 68.6 Ų | 68.6 | 56% | 0.558 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -86.2 | 119.8 | -180 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | T1322 G1326 T1327 | T1322-T1324 PolarHBondContact O-N 2.97Å; T1324-G1326 PolarHBondContact O-N 2.74Å; T1324-T1327 PolarHBondContact O-N 2.83Å |
| 1325 | E | 55.1 | Low | 76.6 | Confident | 189 Ų | 189 | 65.3 Ų | 65.3 | 88% | 0.883 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -3.9 | 101.8 | 177.6 | -64.7 | -168.7 | 150.3 | 0 | 0 | 116.7 | T1327 | E1325-T1327 VanDerWaalsContact C-N 3.35Å; E1325-T1327 PolarHBondContact O-N 2.92Å; E1325-T1327 PolarHBondContact O-OG1 3.39Å |
| 1326 | G | 71 | Confident | 76.1 | Confident | 48 Ų | 48 | 72.2 Ų | 72.2 | 50% | 0.495 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 28.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T1324 C1370 | T1324-G1326 PolarHBondContact O-N 2.74Å; G1326-C1370 WeakPolarHBondContact O-CB 3.46Å; G1326-C1370 PolarHBondContact O-N 3.03Å; G1326-C1370 PolarHBondContact O-SG 3.48Å; G1326-C1370 VanDerWaalsContact O-SG 3.4Å |
| 1327 | T | 81.2 | Confident | 75.6 | Confident | 36 Ų | 36 | 76.9 Ų | 76.9 | 22% | 0.221 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 125.9 | -176.4 | -51 | 0 | 0 | 0 | 0 | 112 | T1324 E1325 W1367 | T1324-T1327 PolarHBondContact O-N 2.83Å; E1325-T1327 VanDerWaalsContact C-N 3.35Å; E1325-T1327 PolarHBondContact O-N 2.92Å; E1325-T1327 PolarHBondContact O-OG1 3.39Å; T1327-W1367 HydrophobicContact CG2-CB 4.09Å; T1327-W1367 VanDerWaalsContact CG2-CD1 3.42Å; T1327-W1367 HydrophobicContact CG2-CG 3.99Å |
| 1328 | V | 86.4 | Confident | 74.9 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 25% | 0.248 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 122.3 | 177.5 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | V1317 Y1330 W1367 K1368 | V1317-V1328 HydrophobicContact CG1-CG1 3.87Å; V1317-V1328 HydrophobicContact CG2-CG1 3.96Å; V1328-Y1330 HydrophobicContact CB-CE2 4.13Å; V1328-Y1330 HydrophobicContact CG1-CE1 4.5Å; V1328-Y1330 HydrophobicContact CG1-CE2 3.81Å; V1328-Y1330 WeakPolarHBondContact O-CE2 3.25Å; V1328-W1367 CarbonylContact O-C 3.55Å; V1328-W1367 WeakPolarHBondContact O-CA 3.19Å; V1328-W1367 WeakPolarHBondContact O-CB 3.25Å; V1328-K1368 HydrophobicContact CB-CB 4.45Å; V1328-K1368 PolarHBondContact N-O 2.83Å; V1328-K1368 PolarHBondContact O-N 3.11Å |
| 1329 | V | 88.8 | Confident | 75.1 | Confident | 4 Ų | 4 | 78.6 Ų | 78.6 | 2% | 0.024 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 143.4 | -179.2 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | V1317 L1318 L1321 K1365 W1367 | V1317-V1329 WeakPolarHBondContact CA-O 3.36Å; V1317-V1329 WeakPolarHBondContact CG1-O 3.4Å; L1318-V1329 HydrophobicContact CB-CG1 4.27Å; L1318-V1329 HydrophobicContact CD2-CG1 4.38Å; L1318-V1329 PolarHBondContact N-O 3.01Å; L1321-V1329 HydrophobicContact CB-CB 4.17Å; L1321-V1329 HydrophobicContact CB-CG2 3.89Å; L1321-V1329 HydrophobicContact CD1-CG1 4.46Å; V1329-K1365 HydrophobicContact CG1-CG 4.44Å; V1329-W1367 HydrophobicContact CG2-CB 4.29Å |
| 1330 | Y | 91 | Very high | 76.1 | Confident | 29 Ų | 29 | 72.1 Ų | 72.1 | 11% | 0.114 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.2 | -179.2 | -62.7 | -96.3 | 0 | 0 | 0 | 111.2 | I1316 V1317 V1328 Y1333 L1366 K1368 I1375 | I1316-Y1330 WeakPolarHBondContact O-CA 3.43Å; V1317-Y1330 HydrophobicContact CG2-CD1 3.99Å; V1317-Y1330 HydrophobicContact CG2-CE1 3.69Å; V1328-Y1330 HydrophobicContact CB-CE2 4.13Å; V1328-Y1330 HydrophobicContact CG1-CE1 4.5Å; V1328-Y1330 HydrophobicContact CG1-CE2 3.81Å; V1328-Y1330 WeakPolarHBondContact O-CE2 3.25Å; Y1330-Y1333 HydrophobicContact CD1-CD2 4.27Å; Y1330-Y1333 HydrophobicContact CE1-CD2 4.14Å; Y1330-L1366 PolarHBondContact N-O 2.87Å; Y1330-K1368 HydrophobicContact CE2-CB 3.8Å; Y1330-I1375 HydrophobicContact CE2-CD1 4.49Å |
| 1331 | E | 89.6 | Confident | 77.5 | Confident | 6 Ų | 6 | 65.5 Ų | 65.5 | 3% | 0.028 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -36.9 | 161.1 | -66.9 | -159.3 | 113.8 | 0 | 0 | 110.9 | I1316 L1318 K1342 L1343 F1467 T1468 S1469 I1472 | I1316-E1331 PolarHBondContact O-N 3.07Å; L1318-E1331 HydrophobicContact CB-CG 4.08Å; L1318-E1331 HydrophobicContact CD1-CG 3.68Å; L1318-E1331 HydrophobicContact CG-CG 4.42Å; E1331-K1342 CarbonylContact O-C 3.55Å; E1331-K1342 VanDerWaalsContact O-CA 3.25Å; E1331-K1342 WeakPolarHBondContact O-CA 3.46Å; E1331-L1343 PolarHBondContact O-N 3.42Å; E1331-F1467 WeakPolarHBondContact OE1-CA 3.47Å; E1331-T1468 PolarHBondContact OE1-N 3.12Å; E1331-T1468 PolarHBondContact OE2-N 3.3Å; E1331-T1468 VanDerWaalsContact OE2-N 3.1Å; E1331-T1468 PolarHBondContact OE2-OG1 2.9Å; E1331-S1469 PolarHBondContact OE2-N 3.4Å; E1331-I1472 HydrophobicContact CB-CD1 3.48Å; E1331-I1472 VanDerWaalsContact CB-CD1 3.48Å; E1331-I1472 HydrophobicContact CG-CD1 4.18Å; E1331-I1472 WeakPolarHBondContact OE2-CD1 3.34Å |
| 1332 | Q | 91.5 | Very high | 79.1 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 1% | 0.014 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 125.3 | 176.7 | -177.5 | 176.4 | -92.5 | 0 | 0 | 108.9 | K1314 S1315 I1316 V1334 V1341 K1342 I1472 | K1314-Q1332 PolarHBondContact O-NE2 2.96Å; S1315-Q1332 CarbonylContact C-O 3.57Å; S1315-Q1332 VanDerWaalsContact CA-O 3.3Å; S1315-Q1332 WeakPolarHBondContact CA-O 3.4Å; I1316-Q1332 HydrophobicContact CB-CB 4.31Å; I1316-Q1332 PolarHBondContact N-O 3.46Å; I1316-Q1332 PolarHBondContact O-N 3.44Å; Q1332-V1334 HydrophobicContact CG-CG2 4.25Å; Q1332-V1341 CarbonylContact C-O 3.53Å; Q1332-V1341 WeakPolarHBondContact CA-O 3.3Å; Q1332-K1342 HydrophobicContact CB-CB 4.27Å; Q1332-K1342 HydrophobicContact CG-CB 4.35Å; Q1332-I1472 HydrophobicContact CB-CG1 4.22Å |
| 1333 | Y | 91.6 | Very high | 80.7 | Confident | 37 Ų | 37 | 60 Ų | 60 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 144.6 | 168.9 | 178.1 | -103.8 | 0 | 0 | 0 | 109.7 | Y1330 H1335 S1340 V1341 I1375 L1413 | Y1330-Y1333 HydrophobicContact CD1-CD2 4.27Å; Y1330-Y1333 HydrophobicContact CE1-CD2 4.14Å; Y1333-H1335 HydrophobicContact CE1-CB 3.89Å; Y1333-S1340 CarbonylContact O-C 3.59Å; Y1333-S1340 VanDerWaalsContact O-CA 3.29Å; Y1333-S1340 WeakPolarHBondContact O-CA 3.39Å; Y1333-V1341 PolarHBondContact N-O 3.16Å; Y1333-V1341 PolarHBondContact O-N 3.28Å; Y1333-I1375 HydrophobicContact CD1-CG1 4.2Å; Y1333-I1375 HydrophobicContact CD1-CG2 4.31Å; Y1333-I1375 HydrophobicContact CD2-CD1 3.88Å; Y1333-I1375 HydrophobicContact CD2-CG1 4.43Å; Y1333-I1375 HydrophobicContact CE1-CD1 4.25Å; Y1333-I1375 HydrophobicContact CE1-CG1 3.77Å; Y1333-I1375 HydrophobicContact CE2-CD1 3.61Å; Y1333-I1375 HydrophobicContact CE2-CG1 4.05Å; Y1333-I1375 HydrophobicContact CG-CD1 4.33Å; Y1333-I1375 HydrophobicContact CG-CG2 4.47Å; Y1333-L1413 HydrophobicContact CD1-CD2 3.54Å; Y1333-L1413 HydrophobicContact CE1-CD2 3.85Å |
| 1334 | V | 88.1 | Confident | 82.5 | Confident | 23 Ų | 23 | 51.6 Ų | 51.6 | 14% | 0.139 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 120.8 | 177.7 | -171.2 | 0 | 0 | 0 | 0 | 109 | L1313 K1314 S1315 Q1332 | L1313-V1334 HydrophobicContact CB-CB 4.44Å; L1313-V1334 HydrophobicContact CB-CG1 4.05Å; L1313-V1334 HydrophobicContact CB-CG2 3.63Å; L1313-V1334 WeakPolarHBondContact O-CB 3.21Å; L1313-V1334 WeakPolarHBondContact O-CG1 3.4Å; L1313-V1334 WeakPolarHBondContact O-CG2 3.38Å; K1314-V1334 WeakPolarHBondContact O-CG2 3.35Å; S1315-V1334 PolarHBondContact OG-N 3.47Å; S1315-V1334 PolarHBondContact OG-O 2.88Å; Q1332-V1334 HydrophobicContact CG-CG2 4.25Å |
| 1335 | H | 85 | Confident | 84.5 | Confident | 82 Ų | 82 | 47.6 Ų | 47.6 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | trans | -85.7 | 156.9 | 179.5 | -169.8 | -101.2 | 0 | 0 | 0 | 111.5 | Y1333 N1337 G1338 F1339 | Y1333-H1335 HydrophobicContact CE1-CB 3.89Å; H1335-N1337 VanDerWaalsContact ND1-CG 3.29Å; H1335-N1337 PolarHBondContact ND1-OD1 3.25Å; H1335-N1337 PolarHBondContact O-N 3.04Å; H1335-G1338 PolarHBondContact O-N 2.77Å; H1335-F1339 HydrophobicContact CB-CB 4.42Å; H1335-F1339 WeakPolarHBondContact CB-O 3.4Å; H1335-F1339 PolarHBondContact N-O 2.91Å | ||
| 1336 | E | 76.2 | Confident | 86.4 | Confident | 195 Ų | 195 | 39.1 Ų | 39.1 | 91% | 0.911 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21 | -174.4 | -61.9 | 177.8 | 174.2 | 0 | 0 | 114.4 | G1338 | E1336-G1338 VanDerWaalsContact C-N 3.3Š|
| 1337 | N | 74.2 | Confident | 87.5 | Confident | 119 Ų | 119 | 36.9 Ų | 36.9 | 64% | 0.636 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 10.7 | 174.6 | 69.9 | -13.3 | 0 | 0 | 0 | 113.9 | H1335 F1339 | H1335-N1337 VanDerWaalsContact ND1-CG 3.29Å; H1335-N1337 PolarHBondContact ND1-OD1 3.25Å; H1335-N1337 PolarHBondContact O-N 3.04Å; N1337-F1339 VanDerWaalsContact C-N 3.32Å; N1337-F1339 PolarHBondContact O-N 2.56Å; N1337-F1339 VanDerWaalsContact OD1-CB 3.31Å; N1337-F1339 WeakPolarHBondContact OD1-CB 3.33Å; N1337-F1339 PolarHBondContact OD1-N 3.05Å; N1337-F1339 VanDerWaalsContact OD1-N 3.16Å |
| 1338 | G | 70.7 | Confident | 88.1 | Confident | 54 Ų | 54 | 35.4 Ų | 35.4 | 56% | 0.557 | 19% | 0.191 | S | C | * | . | S | Bend | trans | 81.7 | -0.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | H1335 E1336 S1340 | H1335-G1338 PolarHBondContact O-N 2.77Å; E1336-G1338 VanDerWaalsContact C-N 3.3Å; G1338-S1340 PolarHBondContact O-N 3.14Å; G1338-S1340 VanDerWaalsContact O-N 3.1Å |
| 1339 | F | 83.1 | Confident | 88.3 | Confident | 63 Ų | 63 | 33.7 Ų | 33.7 | 28% | 0.276 | 18% | 0.181 | S | C | . | . | trans | -73.6 | 103.7 | 176.7 | -170.7 | -105.2 | 0 | 0 | 0 | 110.7 | H1335 N1337 V1341 L1347 L1413 K1419 | H1335-F1339 HydrophobicContact CB-CB 4.42Å; H1335-F1339 WeakPolarHBondContact CB-O 3.4Å; H1335-F1339 PolarHBondContact N-O 2.91Å; N1337-F1339 VanDerWaalsContact C-N 3.32Å; N1337-F1339 PolarHBondContact O-N 2.56Å; N1337-F1339 VanDerWaalsContact OD1-CB 3.31Å; N1337-F1339 WeakPolarHBondContact OD1-CB 3.33Å; N1337-F1339 PolarHBondContact OD1-N 3.05Å; N1337-F1339 VanDerWaalsContact OD1-N 3.16Å; F1339-V1341 HydrophobicContact CD1-CG2 4.04Å; F1339-V1341 HydrophobicContact CE1-CG2 3.41Å; F1339-V1341 VanDerWaalsContact CE1-CG2 3.41Å; F1339-V1341 HydrophobicContact CZ-CG2 3.99Å; F1339-L1347 HydrophobicContact CZ-CD2 4.2Å; F1339-L1413 HydrophobicContact CE1-CD1 4.23Å; F1339-K1419 HydrophobicContact CE2-CG 4.04Å; F1339-K1419 HydrophobicContact CZ-CG 4.08Å | ||
| 1340 | S | 87.6 | Confident | 88.1 | Confident | 18 Ų | 18 | 36.8 Ų | 36.8 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 150 | 171.9 | 64.7 | 0 | 0 | 0 | 0 | 111.8 | Y1333 G1338 K1419 | Y1333-S1340 CarbonylContact O-C 3.59Å; Y1333-S1340 VanDerWaalsContact O-CA 3.29Å; Y1333-S1340 WeakPolarHBondContact O-CA 3.39Å; G1338-S1340 PolarHBondContact O-N 3.14Å; G1338-S1340 VanDerWaalsContact O-N 3.1Å; S1340-K1419 WeakPolarHBondContact O-CE 3.31Å; S1340-K1419 PolarHBondContact O-NZ 2.79Å |
| 1341 | V | 91.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 132.5 | 165.9 | 175 | 0 | 0 | 0 | 0 | 108.8 | Q1332 Y1333 F1339 D1345 L1347 V1363 L1366 L1413 | Q1332-V1341 CarbonylContact C-O 3.53Å; Q1332-V1341 WeakPolarHBondContact CA-O 3.3Å; Y1333-V1341 PolarHBondContact N-O 3.16Å; Y1333-V1341 PolarHBondContact O-N 3.28Å; F1339-V1341 HydrophobicContact CD1-CG2 4.04Å; F1339-V1341 HydrophobicContact CE1-CG2 3.41Å; F1339-V1341 VanDerWaalsContact CE1-CG2 3.41Å; F1339-V1341 HydrophobicContact CZ-CG2 3.99Å; V1341-D1345 WeakPolarHBondContact CA-OD2 3.07Å; V1341-D1345 HydrophobicContact CG1-CB 4.25Å; V1341-L1347 HydrophobicContact CG1-CD1 4.24Å; V1341-L1347 HydrophobicContact CG2-CD1 4.38Å; V1341-L1347 HydrophobicContact CG2-CD2 4.08Å; V1341-V1363 HydrophobicContact CG1-CG1 4.34Å; V1341-V1363 HydrophobicContact CG1-CG2 3.95Å; V1341-L1366 HydrophobicContact CB-CD2 4.38Å; V1341-L1366 HydrophobicContact CG1-CD2 4.14Å; V1341-L1366 WeakPolarHBondContact O-CD2 3.33Å; V1341-L1413 HydrophobicContact CG2-CD1 3.89Å |
| 1342 | K | 92.3 | Very high | 86.2 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 162.1 | 172.9 | 65.4 | -175.2 | -173.3 | -57.9 | 0 | 111.9 | E1331 Q1332 G1344 D1345 F1467 I1472 H1473 D1475 | E1331-K1342 CarbonylContact O-C 3.55Å; E1331-K1342 VanDerWaalsContact O-CA 3.25Å; E1331-K1342 WeakPolarHBondContact O-CA 3.46Å; Q1332-K1342 HydrophobicContact CB-CB 4.27Å; Q1332-K1342 HydrophobicContact CG-CB 4.35Å; K1342-G1344 PolarHBondContact O-N 2.99Å; K1342-D1345 WeakPolarHBondContact CG-OD1 3.48Å; K1342-D1345 PolarHBondContact N-OD2 2.89Å; K1342-D1345 IonicContact NZ-OD1 3.68Å; K1342-D1345 PolarHBondContact NZ-OD1 3.49Å; K1342-D1345 WeakPolarHBondContact O-CB 3.26Å; K1342-D1345 PolarHBondContact O-N 2.96Å; K1342-D1345 VanDerWaalsContact O-N 3.08Å; K1342-F1467 HydrophobicContact CD-CZ 4.03Å; K1342-F1467 HydrophobicContact CG-CZ 4.41Å; K1342-I1472 HydrophobicContact CD-CG2 4.2Å; K1342-H1473 WeakPolarHBondContact CE-O 3.39Å; K1342-D1475 WeakPolarHBondContact CE-OD1 3.38Å; K1342-D1475 IonicContact NZ-OD1 3.91Å; K1342-D1475 PolarHBondContact NZ-OD1 3.44Å; K1342-D1475 IonicContact NZ-OD2 2.69Å |
| 1343 | L | 92.8 | Very high | 84.8 | Confident | 17 Ų | 17 | 48.6 Ų | 48.6 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 130.8 | 172.8 | -55.4 | -179.6 | 0 | 0 | 0 | 109.9 | E1331 V1363 L1366 F1465 F1467 | E1331-L1343 PolarHBondContact O-N 3.42Å; L1343-V1363 HydrophobicContact CD2-CG1 4.07Å; L1343-L1366 HydrophobicContact CD2-CB 3.77Å; L1343-F1465 HydrophobicContact CB-CD1 3.49Å; L1343-F1465 VanDerWaalsContact CB-CD1 3.49Å; L1343-F1465 HydrophobicContact CB-CE1 3.65Å; L1343-F1465 HydrophobicContact CB-CG 4.25Å; L1343-F1467 HydrophobicContact CB-CE1 4.29Å; L1343-F1467 WeakPolarHBondContact O-CZ 3.39Å |
| 1344 | G | 91.3 | Very high | 83 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 16% | 0.155 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -9.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | K1342 F1346 V1363 | K1342-G1344 PolarHBondContact O-N 2.99Å; G1344-F1346 WeakPolarHBondContact O-CE2 3.29Å; G1344-V1363 PolarHBondContact N-O 3.35Å |
| 1345 | D | 94.4 | Very high | 81.6 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | trans | -62.3 | 152.3 | 167.5 | -76.3 | -10.6 | 0 | 0 | 0 | 110.7 | V1341 K1342 V1363 K1419 | V1341-D1345 WeakPolarHBondContact CA-OD2 3.07Å; V1341-D1345 HydrophobicContact CG1-CB 4.25Å; K1342-D1345 WeakPolarHBondContact CG-OD1 3.48Å; K1342-D1345 PolarHBondContact N-OD2 2.89Å; K1342-D1345 IonicContact NZ-OD1 3.68Å; K1342-D1345 PolarHBondContact NZ-OD1 3.49Å; K1342-D1345 WeakPolarHBondContact O-CB 3.26Å; K1342-D1345 PolarHBondContact O-N 2.96Å; K1342-D1345 VanDerWaalsContact O-N 3.08Å; D1345-V1363 PolarHBondContact O-N 2.95Å; D1345-K1419 WeakPolarHBondContact OD2-CE 3.37Å; D1345-K1419 IonicContact OD2-NZ 2.71Å; D1345-K1419 PolarHBondContact OD2-NZ 3.48Å | ||
| 1346 | F | 95.1 | Very high | 80.4 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 5% | 0.048 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.3 | 174.1 | -56.6 | -97 | 0 | 0 | 0 | 109.9 | G1344 I1360 V1361 R1362 F1382 K1419 C1420 V1422 | G1344-F1346 WeakPolarHBondContact O-CE2 3.29Å; F1346-I1360 HydrophobicContact CB-CG2 4.31Å; F1346-I1360 HydrophobicContact CD1-CG2 4.4Å; F1346-V1361 WeakPolarHBondContact CA-O 3.49Å; F1346-R1362 HydrophobicContact CD1-CB 3.71Å; F1346-R1362 HydrophobicContact CD1-CG 4Å; F1346-R1362 HydrophobicContact CE1-CB 3.68Å; F1346-R1362 HydrophobicContact CE1-CG 3.65Å; F1346-R1362 HydrophobicContact CZ-CG 4.1Å; F1346-F1382 HydrophobicContact CD1-CE2 4.22Å; F1346-F1382 AromaticContact CE1-CE2 3.9Å; F1346-F1382 HydrophobicContact CE1-CE2 3.9Å; F1346-F1382 AromaticContact CE1-CZ 3.9Å; F1346-F1382 HydrophobicContact CE1-CZ 3.9Å; F1346-K1419 CarbonylContact O-C 3.55Å; F1346-K1419 WeakPolarHBondContact O-CA 3.33Å; F1346-C1420 WeakPolarHBondContact CB-SG 3.46Å; F1346-C1420 PolarHBondContact O-N 3.41Å; F1346-C1420 PolarHBondContact O-SG 3Å; F1346-V1422 HydrophobicContact CB-CG2 4.48Å; F1346-V1422 HydrophobicContact CD1-CB 3.93Å; F1346-V1422 HydrophobicContact CD1-CG2 3.52Å; F1346-V1422 HydrophobicContact CD2-CB 4.43Å; F1346-V1422 HydrophobicContact CD2-CG2 4.46Å; F1346-V1422 HydrophobicContact CE1-CB 3.62Å; F1346-V1422 HydrophobicContact CE1-CG2 3.74Å; F1346-V1422 HydrophobicContact CE2-CB 4.17Å; F1346-V1422 HydrophobicContact CG-CB 4.33Å; F1346-V1422 HydrophobicContact CG-CG2 3.92Å; F1346-V1422 HydrophobicContact CZ-CB 3.76Å; F1346-V1422 HydrophobicContact CZ-CG2 4.3Å |
| 1347 | L | 94.8 | Very high | 79.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 142.3 | -175.4 | -61.5 | -179.5 | 0 | 0 | 0 | 111.5 | F1339 V1341 V1361 V1363 F1377 L1413 A1416 K1419 | F1339-L1347 HydrophobicContact CZ-CD2 4.2Å; V1341-L1347 HydrophobicContact CG1-CD1 4.24Å; V1341-L1347 HydrophobicContact CG2-CD1 4.38Å; V1341-L1347 HydrophobicContact CG2-CD2 4.08Å; L1347-V1361 PolarHBondContact N-O 2.93Å; L1347-V1361 PolarHBondContact O-N 3.39Å; L1347-V1363 HydrophobicContact CD1-CG2 3.63Å; L1347-V1363 HydrophobicContact CG-CG2 3.89Å; L1347-F1377 HydrophobicContact CB-CE2 4.41Å; L1347-F1377 HydrophobicContact CB-CZ 4.24Å; L1347-F1377 HydrophobicContact CD1-CD1 4.14Å; L1347-F1377 HydrophobicContact CD1-CD2 4.26Å; L1347-F1377 HydrophobicContact CD1-CE1 3.84Å; L1347-F1377 HydrophobicContact CD1-CE2 3.97Å; L1347-F1377 HydrophobicContact CD1-CG 4.34Å; L1347-F1377 HydrophobicContact CD1-CZ 3.74Å; L1347-L1413 HydrophobicContact CD1-CD1 3.91Å; L1347-A1416 HydrophobicContact CB-CB 4.23Å; L1347-A1416 HydrophobicContact CD1-CB 4.03Å; L1347-K1419 HydrophobicContact CD2-CG 4.04Å |
| 1348 | Y | 93.1 | Very high | 80 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 2% | 0.02 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 117.8 | 170.3 | -73.2 | -57.2 | 0 | 0 | 0 | 111.3 | R1358 S1359 I1360 A1416 T1417 G1418 C1420 D1440 Y1442 | Y1348-R1358 HydrophobicContact CD1-CB 3.5Å; Y1348-R1358 VanDerWaalsContact CD1-CB 3.5Å; Y1348-R1358 HydrophobicContact CD1-CG 4.32Å; Y1348-R1358 HydrophobicContact CE1-CB 4.05Å; Y1348-R1358 HydrophobicContact CG-CB 4.03Å; Y1348-R1358 HydrophobicContact CG-CG 4.47Å; Y1348-S1359 CarbonylContact C-O 3.53Å; Y1348-S1359 WeakPolarHBondContact CA-O 3.15Å; Y1348-I1360 HydrophobicContact CD1-CG1 3.89Å; Y1348-I1360 HydrophobicContact CE1-CD1 4.25Å; Y1348-I1360 HydrophobicContact CE1-CG1 3.91Å; Y1348-A1416 CarbonylContact O-C 3.56Å; Y1348-A1416 WeakPolarHBondContact O-CA 3.01Å; Y1348-T1417 VanDerWaalsContact CB-OG1 3.23Å; Y1348-T1417 WeakPolarHBondContact CB-OG1 3.38Å; Y1348-T1417 PolarHBondContact O-N 2.65Å; Y1348-T1417 PolarHBondContact O-OG1 2.73Å; Y1348-G1418 PolarHBondContact N-O 2.84Å; Y1348-C1420 HydrophobicContact CD1-CB 4.49Å; Y1348-C1420 HydrophobicContact CD2-CB 4.33Å; Y1348-C1420 HydrophobicContact CE1-CB 4.04Å; Y1348-C1420 HydrophobicContact CE2-CB 3.87Å; Y1348-D1440 HydrophobicContact CE2-CB 4.25Å; Y1348-D1440 WeakPolarHBondContact CE2-OD1 3.45Å; Y1348-D1440 VanDerWaalsContact CZ-OD1 3.3Å; Y1348-D1440 PolarHBondContact OH-OD1 3.37Å; Y1348-Y1442 HydrophobicContact CE1-CE2 4.07Å; Y1348-Y1442 WeakPolarHBondContact OH-CE2 3.45Å; Y1348-Y1442 PolarHBondContact OH-OH 3Å; Y1348-Y1442 VanDerWaalsContact OH-OH 3.05Å |
| 1349 | V | 90.6 | Very high | 80.8 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 139.2 | 174.4 | -174 | 0 | 0 | 0 | 0 | 109.5 | S1351 S1359 V1361 F1377 | V1349-S1351 PolarHBondContact O-N 3.41Å; V1349-S1359 PolarHBondContact N-O 2.73Å; V1349-S1359 PolarHBondContact O-N 2.8Å; V1349-V1361 HydrophobicContact CB-CG2 4.45Å; V1349-V1361 HydrophobicContact CG2-CB 4.28Å; V1349-V1361 HydrophobicContact CG2-CG2 3.86Å; V1349-F1377 HydrophobicContact CG2-CE2 4.4Å; V1349-F1377 HydrophobicContact CG2-CZ 3.85Å |
| 1350 | P | 85.1 | Confident | 81.2 | Confident | 70 Ų | 70 | 45.5 Ų | 45.5 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 133.9 | 171.2 | -26.3 | 34.6 | 0 | 0 | 0 | 112 | T1352 S1415 T1417 | P1350-T1352 PolarHBondContact O-N 3.49Å; P1350-S1415 WeakPolarHBondContact CD-O 3.38Å; P1350-T1417 HydrophobicContact CG-CG2 3.98Å |
| 1351 | S | 74.3 | Confident | 81.5 | Confident | 30 Ų | 30 | 44.7 Ų | 44.7 | 21% | 0.21 | 27% | 0.272 | C | S | . | . | trans | -66.4 | 133.3 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 111 | V1349 N1353 E1357 | V1349-S1351 PolarHBondContact O-N 3.41Å; S1351-N1353 PolarHBondContact O-N 3.45Å; S1351-N1353 VanDerWaalsContact O-N 3.13Å; S1351-N1353 PolarHBondContact OG-N 3.21Å; S1351-E1357 WeakPolarHBondContact CB-O 3.27Å | ||
| 1352 | T | 66.8 | Low | 81.5 | Confident | 119 Ų | 119 | 44.8 Ų | 44.8 | 73% | 0.73 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.2 | 175.2 | 49.1 | 0 | 0 | 0 | 0 | 113.8 | P1350 | P1350-T1352 PolarHBondContact O-N 3.49Š|
| 1353 | N | 60.9 | Low | 81.6 | Confident | 136 Ų | 136 | 44.1 Ų | 44.1 | 73% | 0.727 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 9.5 | -165.5 | -61.4 | 1.9 | 0 | 0 | 0 | 113.4 | S1351 S1355 | S1351-N1353 PolarHBondContact O-N 3.45Å; S1351-N1353 VanDerWaalsContact O-N 3.13Å; S1351-N1353 PolarHBondContact OG-N 3.21Å; N1353-S1355 PolarHBondContact O-N 2.85Å |
| 1354 | G | 54.6 | Low | 81.6 | Confident | 76 Ų | 76 | 44.1 Ų | 44.1 | 78% | 0.784 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 72.5 | 5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1355 | S | 58.7 | Low | 81.6 | Confident | 50 Ų | 50 | 46.2 Ų | 46.2 | 35% | 0.35 | 27% | 0.274 | S | S | . | . | trans | -66.3 | 147 | 166 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | N1353 E1357 | N1353-S1355 PolarHBondContact O-N 2.85Å; S1355-E1357 PolarHBondContact O-N 3.13Å; S1355-E1357 WeakPolarHBondContact OG-CB 3.34Å; S1355-E1357 WeakPolarHBondContact OG-CG 3.3Å; S1355-E1357 PolarHBondContact OG-N 3.14Å; S1355-E1357 PolarHBondContact OG-OE2 3.21Å | ||
| 1356 | S | 59.3 | Low | 81.5 | Confident | 126 Ų | 126 | 45.9 Ų | 45.9 | 88% | 0.881 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -73.8 | -2.6 | 170.4 | -172.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1357 | E | 64.6 | Low | 81.4 | Confident | 95 Ų | 95 | 47.1 Ų | 47.1 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -73 | 127.7 | 177 | -68.9 | 160.8 | 135.5 | 0 | 0 | 111.1 | S1351 S1355 I1384 | S1351-E1357 WeakPolarHBondContact CB-O 3.27Å; S1355-E1357 PolarHBondContact O-N 3.13Å; S1355-E1357 WeakPolarHBondContact OG-CB 3.34Å; S1355-E1357 WeakPolarHBondContact OG-CG 3.3Å; S1355-E1357 PolarHBondContact OG-N 3.14Å; S1355-E1357 PolarHBondContact OG-OE2 3.21Å; E1357-I1384 HydrophobicContact CB-CD1 4.41Å; E1357-I1384 HydrophobicContact CG-CD1 4.11Å; E1357-I1384 WeakPolarHBondContact OE1-CD1 3.35Å |
| 1358 | R | 77.9 | Confident | 81.2 | Confident | 137 Ų | 137 | 49.9 Ų | 49.9 | 52% | 0.517 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 126.8 | 171.4 | -58.6 | 177.4 | -172.9 | 159.7 | -1.1 | 108.9 | Y1348 | Y1348-R1358 HydrophobicContact CD1-CB 3.5Å; Y1348-R1358 VanDerWaalsContact CD1-CB 3.5Å; Y1348-R1358 HydrophobicContact CD1-CG 4.32Å; Y1348-R1358 HydrophobicContact CE1-CB 4.05Å; Y1348-R1358 HydrophobicContact CG-CB 4.03Å; Y1348-R1358 HydrophobicContact CG-CG 4.47Å |
| 1359 | S | 87 | Confident | 81 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 16% | 0.161 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 148.1 | 171.8 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | Y1348 V1349 W1381 | Y1348-S1359 CarbonylContact C-O 3.53Å; Y1348-S1359 WeakPolarHBondContact CA-O 3.15Å; V1349-S1359 PolarHBondContact N-O 2.73Å; V1349-S1359 PolarHBondContact O-N 2.8Å; S1359-W1381 VanDerWaalsContact CB-CZ3 3.45Å |
| 1360 | I | 92.5 | Very high | 80.6 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 129 | -177.4 | -65.8 | 166.1 | 0 | 0 | 0 | 109.1 | F1346 Y1348 W1381 F1382 V1401 V1422 Y1442 | F1346-I1360 HydrophobicContact CB-CG2 4.31Å; F1346-I1360 HydrophobicContact CD1-CG2 4.4Å; Y1348-I1360 HydrophobicContact CD1-CG1 3.89Å; Y1348-I1360 HydrophobicContact CE1-CD1 4.25Å; Y1348-I1360 HydrophobicContact CE1-CG1 3.91Å; I1360-W1381 CarbonylContact O-C 3.57Å; I1360-W1381 WeakPolarHBondContact O-CA 3.36Å; I1360-F1382 HydrophobicContact CB-CB 4.09Å; I1360-F1382 HydrophobicContact CG2-CB 4.11Å; I1360-F1382 HydrophobicContact CG2-CD2 4.25Å; I1360-F1382 HydrophobicContact CG2-CG 4.39Å; I1360-F1382 PolarHBondContact O-N 3.31Å; I1360-V1401 HydrophobicContact CD1-CG1 4.43Å; I1360-V1422 HydrophobicContact CG2-CG2 3.92Å; I1360-Y1442 HydrophobicContact CD1-CD1 3.89Å; I1360-Y1442 HydrophobicContact CD1-CD2 3.73Å; I1360-Y1442 HydrophobicContact CD1-CE1 3.79Å; I1360-Y1442 HydrophobicContact CD1-CE2 3.62Å; I1360-Y1442 HydrophobicContact CD1-CG 3.88Å |
| 1361 | V | 93 | Very high | 80.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 133.7 | 177.5 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | F1346 L1347 V1349 F1377 W1381 | F1346-V1361 WeakPolarHBondContact CA-O 3.49Å; L1347-V1361 PolarHBondContact N-O 2.93Å; L1347-V1361 PolarHBondContact O-N 3.39Å; V1349-V1361 HydrophobicContact CB-CG2 4.45Å; V1349-V1361 HydrophobicContact CG2-CB 4.28Å; V1349-V1361 HydrophobicContact CG2-CG2 3.86Å; V1361-F1377 HydrophobicContact CB-CE2 4.21Å; V1361-F1377 HydrophobicContact CG1-CE2 3.97Å; V1361-W1381 HydrophobicContact CG2-CD2 3.98Å; V1361-W1381 HydrophobicContact CG2-CE3 3.97Å; V1361-W1381 HydrophobicContact CG2-CG 4.41Å; V1361-W1381 HydrophobicContact CG2-CZ3 4.36Å |
| 1362 | R | 93.4 | Very high | 80.9 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.008 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 140.5 | 172.3 | -174.1 | -173.8 | 68.2 | -168.6 | -3.8 | 109.5 | E369 F1346 D1364 G1379 P1380 F1382 | E369-R1362 IonicContact OE1-CZ 3.9Å; E369-R1362 VanDerWaalsContact OE1-CZ 3.23Å; E369-R1362 IonicContact OE1-NH1 3.61Å; E369-R1362 PolarHBondContact OE1-NH1 2.96Å; E369-R1362 IonicContact OE1-NH2 2.69Å; E369-R1362 PolarHBondContact OE1-NH2 3.35Å; E369-R1362 IonicContact OE2-NH2 2.7Å; E369-R1362 PolarHBondContact OE2-NH2 2.92Å; F1346-R1362 HydrophobicContact CD1-CB 3.71Å; F1346-R1362 HydrophobicContact CD1-CG 4Å; F1346-R1362 HydrophobicContact CE1-CB 3.68Å; F1346-R1362 HydrophobicContact CE1-CG 3.65Å; F1346-R1362 HydrophobicContact CZ-CG 4.1Å; R1362-D1364 IonicContact CZ-OD1 3.61Å; R1362-D1364 IonicContact CZ-OD2 2.85Å; R1362-D1364 IonicContact NE-OD1 3.67Å; R1362-D1364 PolarHBondContact NE-OD1 3Å; R1362-D1364 IonicContact NE-OD2 2.72Å; R1362-D1364 IonicContact NH2-OD1 2.73Å; R1362-D1364 PolarHBondContact NH2-OD1 3.28Å; R1362-D1364 IonicContact NH2-OD2 3.22Å; R1362-D1364 PolarHBondContact NH2-OD2 3.44Å; R1362-D1364 PolarHBondContact O-N 3.17Å; R1362-G1379 VanDerWaalsContact O-CA 3.32Å; R1362-G1379 WeakPolarHBondContact O-CA 3.22Å; R1362-P1380 HydrophobicContact CB-CG 4.48Å; R1362-P1380 PolarHBondContact N-O 2.87Å; R1362-F1382 HydrophobicContact CB-CE2 3.97Å |
| 1363 | V | 94 | Very high | 81.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -85.1 | 105 | 177.4 | 178.6 | 0 | 0 | 0 | 0 | 110 | V1341 L1343 G1344 D1345 L1347 L1366 F1377 F1465 | V1341-V1363 HydrophobicContact CG1-CG1 4.34Å; V1341-V1363 HydrophobicContact CG1-CG2 3.95Å; L1343-V1363 HydrophobicContact CD2-CG1 4.07Å; G1344-V1363 PolarHBondContact N-O 3.35Å; D1345-V1363 PolarHBondContact O-N 2.95Å; L1347-V1363 HydrophobicContact CD1-CG2 3.63Å; L1347-V1363 HydrophobicContact CG-CG2 3.89Å; V1363-L1366 HydrophobicContact CG1-CB 4.01Å; V1363-F1377 HydrophobicContact CG1-CB 4.25Å; V1363-F1377 HydrophobicContact CG2-CB 4.48Å; V1363-F1377 HydrophobicContact CG2-CD2 3.95Å; V1363-F1377 HydrophobicContact CG2-CG 4.36Å; V1363-F1465 WeakPolarHBondContact O-CZ 3.41Å | ||
| 1364 | D | 91.9 | Very high | 83.2 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -96.2 | -34.6 | 177.7 | -69.1 | -12.6 | 0 | 0 | 0 | 113.2 | R1362 T1378 P1380 H1408 | R1362-D1364 IonicContact CZ-OD1 3.61Å; R1362-D1364 IonicContact CZ-OD2 2.85Å; R1362-D1364 IonicContact NE-OD1 3.67Å; R1362-D1364 PolarHBondContact NE-OD1 3Å; R1362-D1364 IonicContact NE-OD2 2.72Å; R1362-D1364 IonicContact NH2-OD1 2.73Å; R1362-D1364 PolarHBondContact NH2-OD1 3.28Å; R1362-D1364 IonicContact NH2-OD2 3.22Å; R1362-D1364 PolarHBondContact NH2-OD2 3.44Å; R1362-D1364 PolarHBondContact O-N 3.17Å; D1364-T1378 WeakPolarHBondContact CB-O 3.36Å; D1364-T1378 PolarHBondContact N-O 2.96Å; D1364-P1380 WeakPolarHBondContact OD2-CD 3.29Å; D1364-H1408 IonicContact OD2-CE1 3.49Å; D1364-H1408 PolarHBondContact OD2-CE1 3.25Å; D1364-H1408 IonicContact OD2-ND1 3.77Å; D1364-H1408 PolarHBondContact OD2-ND1 3.22Å |
| 1365 | K | 91.3 | Very high | 85 | Confident | 59 Ų | 59 | 53 Ų | 53 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 140.8 | 171 | -166.9 | -176.6 | -179.5 | 178.9 | 0 | 108.8 | V1329 W1367 F1377 T1378 | V1329-K1365 HydrophobicContact CG1-CG 4.44Å; K1365-W1367 HydrophobicContact CB-CE3 4.13Å; K1365-W1367 HydrophobicContact CB-CZ3 4.03Å; K1365-W1367 HydrophobicContact CD-CE3 4.05Å; K1365-W1367 HydrophobicContact CD-CZ3 4.26Å; K1365-W1367 HydrophobicContact CG-CE3 3.83Å; K1365-W1367 HydrophobicContact CG-CZ3 4.17Å; K1365-F1377 CarbonylContact O-C 3.53Å; K1365-F1377 VanDerWaalsContact O-CA 3.24Å; K1365-F1377 WeakPolarHBondContact O-CA 3.35Å; K1365-T1378 HydrophobicContact CB-CG2 4.09Å; K1365-T1378 PolarHBondContact N-O 3.15Å; K1365-T1378 PolarHBondContact O-N 3.44Å |
| 1366 | L | 93.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 126.5 | -178 | -179.7 | 64.3 | 0 | 0 | 0 | 108.2 | Y1330 V1341 L1343 V1363 I1375 F1377 | Y1330-L1366 PolarHBondContact N-O 2.87Å; V1341-L1366 HydrophobicContact CB-CD2 4.38Å; V1341-L1366 HydrophobicContact CG1-CD2 4.14Å; V1341-L1366 WeakPolarHBondContact O-CD2 3.33Å; L1343-L1366 HydrophobicContact CD2-CB 3.77Å; V1363-L1366 HydrophobicContact CG1-CB 4.01Å; L1366-I1375 HydrophobicContact CD1-CG2 3.79Å; L1366-F1377 HydrophobicContact CD1-CB 3.98Å |
| 1367 | W | 92 | Very high | 88.4 | Confident | 37 Ų | 37 | 45.8 Ų | 45.8 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 158.7 | -174.4 | 70.4 | 95.2 | 0 | 0 | 0 | 113.3 | T1327 V1328 V1329 K1365 I1375 L1376 T1378 T1410 | T1327-W1367 HydrophobicContact CG2-CB 4.09Å; T1327-W1367 VanDerWaalsContact CG2-CD1 3.42Å; T1327-W1367 HydrophobicContact CG2-CG 3.99Å; V1328-W1367 CarbonylContact O-C 3.55Å; V1328-W1367 WeakPolarHBondContact O-CA 3.19Å; V1328-W1367 WeakPolarHBondContact O-CB 3.25Å; V1329-W1367 HydrophobicContact CG2-CB 4.29Å; K1365-W1367 HydrophobicContact CB-CE3 4.13Å; K1365-W1367 HydrophobicContact CB-CZ3 4.03Å; K1365-W1367 HydrophobicContact CD-CE3 4.05Å; K1365-W1367 HydrophobicContact CD-CZ3 4.26Å; K1365-W1367 HydrophobicContact CG-CE3 3.83Å; K1365-W1367 HydrophobicContact CG-CZ3 4.17Å; W1367-I1375 CarbonylContact O-C 2.98Å; W1367-I1375 WeakPolarHBondContact O-CA 3.42Å; W1367-L1376 HydrophobicContact CD2-CB 4.03Å; W1367-L1376 HydrophobicContact CG-CB 4.45Å; W1367-L1376 HydrophobicContact CH2-CB 4.43Å; W1367-L1376 HydrophobicContact CZ2-CB 3.86Å; W1367-L1376 HydrophobicContact CZ2-CD1 4.27Å; W1367-L1376 PolarHBondContact N-O 3.38Å; W1367-L1376 PolarHBondContact O-N 2.97Å; W1367-L1376 VanDerWaalsContact O-O 3.14Å; W1367-T1378 HydrophobicContact CH2-CG2 3.97Å; W1367-T1378 HydrophobicContact CZ3-CG2 3.74Å; W1367-T1410 HydrophobicContact CH2-CG2 3.64Å; W1367-T1410 HydrophobicContact CZ2-CG2 3.65Å |
| 1368 | K | 91.7 | Very high | 89.7 | Confident | 59 Ų | 59 | 41.8 Ų | 41.8 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.6 | 168.8 | -170 | 173.2 | -176.5 | -176.7 | 0 | 109.5 | V1328 Y1330 N1373 I1375 | V1328-K1368 HydrophobicContact CB-CB 4.45Å; V1328-K1368 PolarHBondContact N-O 2.83Å; V1328-K1368 PolarHBondContact O-N 3.11Å; Y1330-K1368 HydrophobicContact CE2-CB 3.8Å; K1368-N1373 WeakPolarHBondContact CE-OD1 2.82Å; K1368-N1373 PolarHBondContact NZ-OD1 3.41Å; K1368-I1375 HydrophobicContact CB-CD1 3.72Å; K1368-I1375 HydrophobicContact CD-CD1 4.01Å; K1368-I1375 HydrophobicContact CG-CD1 3.84Å |
| 1369 | S | 89.2 | Confident | 90.4 | Very high | 19 Ų | 19 | 35.2 Ų | 35.2 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 118 | 165.6 | 175.1 | 0 | 0 | 0 | 0 | 108.8 | A1371 Q1372 N1373 V1374 | S1369-A1371 VanDerWaalsContact C-N 3.3Å; S1369-A1371 PolarHBondContact O-N 2.81Å; S1369-Q1372 PolarHBondContact O-N 3.19Å; S1369-Q1372 PolarHBondContact OG-N 3.39Å; S1369-N1373 VanDerWaalsContact O-CA 3.3Å; S1369-N1373 WeakPolarHBondContact O-CA 3.48Å; S1369-N1373 PolarHBondContact O-N 3.33Å; S1369-V1374 PolarHBondContact N-O 2.94Å |
| 1370 | C | 82 | Confident | 90.5 | Very high | 72 Ų | 72 | 34.5 Ų | 34.5 | 49% | 0.486 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -30.2 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | G1326 Q1372 | G1326-C1370 WeakPolarHBondContact O-CB 3.46Å; G1326-C1370 PolarHBondContact O-N 3.03Å; G1326-C1370 PolarHBondContact O-SG 3.48Å; G1326-C1370 VanDerWaalsContact O-SG 3.4Å; C1370-Q1372 VanDerWaalsContact C-N 3.33Å; C1370-Q1372 PolarHBondContact O-N 3.05Å |
| 1371 | A | 81.7 | Confident | 90.4 | Very high | 100 Ų | 100 | 36.6 Ų | 36.6 | 83% | 0.826 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -28.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1369 | S1369-A1371 VanDerWaalsContact C-N 3.3Å; S1369-A1371 PolarHBondContact O-N 2.81Å |
| 1372 | Q | 83.5 | Confident | 90.4 | Very high | 130 Ų | 130 | 36.9 Ų | 36.9 | 61% | 0.607 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -13.7 | -179.4 | -63.3 | 177.2 | -7 | 0 | 0 | 113.3 | S1369 C1370 V1374 | S1369-Q1372 PolarHBondContact O-N 3.19Å; S1369-Q1372 PolarHBondContact OG-N 3.39Å; C1370-Q1372 VanDerWaalsContact C-N 3.33Å; C1370-Q1372 PolarHBondContact O-N 3.05Å; Q1372-V1374 HydrophobicContact CB-CB 4.38Å; Q1372-V1374 HydrophobicContact CB-CG2 4.43Å; Q1372-V1374 PolarHBondContact O-N 3.01Å |
| 1373 | N | 86 | Confident | 90.2 | Very high | 113 Ų | 113 | 38.6 Ų | 38.6 | 60% | 0.604 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 18.7 | -170.6 | -163.4 | 36.5 | 0 | 0 | 0 | 114.6 | K1368 S1369 | K1368-N1373 WeakPolarHBondContact CE-OD1 2.82Å; K1368-N1373 PolarHBondContact NZ-OD1 3.41Å; S1369-N1373 VanDerWaalsContact O-CA 3.3Å; S1369-N1373 WeakPolarHBondContact O-CA 3.48Å; S1369-N1373 PolarHBondContact O-N 3.33Å |
| 1374 | V | 90.3 | Very high | 90 | Very high | 54 Ų | 54 | 40.8 Ų | 40.8 | 33% | 0.327 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 139.6 | -178.1 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | S1369 Q1372 L1376 A1412 | S1369-V1374 PolarHBondContact N-O 2.94Å; Q1372-V1374 HydrophobicContact CB-CB 4.38Å; Q1372-V1374 HydrophobicContact CB-CG2 4.43Å; Q1372-V1374 PolarHBondContact O-N 3.01Å; V1374-L1376 HydrophobicContact CG1-CD2 4.15Å; V1374-L1376 HydrophobicContact CG1-CG 4.34Å; V1374-A1412 HydrophobicContact CG1-CB 3.85Å |
| 1375 | I | 93 | Very high | 89.8 | Confident | 17 Ų | 17 | 41 Ų | 41 | 9% | 0.087 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 125.9 | 166.2 | -50.4 | -65.5 | 0 | 0 | 0 | 108.8 | Y1330 Y1333 L1366 W1367 K1368 L1413 | Y1330-I1375 HydrophobicContact CE2-CD1 4.49Å; Y1333-I1375 HydrophobicContact CD1-CG1 4.2Å; Y1333-I1375 HydrophobicContact CD1-CG2 4.31Å; Y1333-I1375 HydrophobicContact CD2-CD1 3.88Å; Y1333-I1375 HydrophobicContact CD2-CG1 4.43Å; Y1333-I1375 HydrophobicContact CE1-CD1 4.25Å; Y1333-I1375 HydrophobicContact CE1-CG1 3.77Å; Y1333-I1375 HydrophobicContact CE2-CD1 3.61Å; Y1333-I1375 HydrophobicContact CE2-CG1 4.05Å; Y1333-I1375 HydrophobicContact CG-CD1 4.33Å; Y1333-I1375 HydrophobicContact CG-CG2 4.47Å; L1366-I1375 HydrophobicContact CD1-CG2 3.79Å; W1367-I1375 CarbonylContact O-C 2.98Å; W1367-I1375 WeakPolarHBondContact O-CA 3.42Å; K1368-I1375 HydrophobicContact CB-CD1 3.72Å; K1368-I1375 HydrophobicContact CD-CD1 4.01Å; K1368-I1375 HydrophobicContact CG-CD1 3.84Å; I1375-L1413 HydrophobicContact CB-CB 3.88Å; I1375-L1413 HydrophobicContact CB-CD2 4.1Å; I1375-L1413 HydrophobicContact CG2-CB 3.87Å; I1375-L1413 HydrophobicContact CG2-CD2 3.7Å; I1375-L1413 HydrophobicContact CG2-CG 4.43Å; I1375-L1413 PolarHBondContact O-N 3.23Å |
| 1376 | L | 94 | Very high | 89.4 | Confident | 25 Ų | 25 | 41 Ų | 41 | 13% | 0.131 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 148.2 | 179.8 | -65 | 166 | 0 | 0 | 0 | 109.4 | W1367 V1374 T1410 H1411 A1412 | W1367-L1376 HydrophobicContact CD2-CB 4.03Å; W1367-L1376 HydrophobicContact CG-CB 4.45Å; W1367-L1376 HydrophobicContact CH2-CB 4.43Å; W1367-L1376 HydrophobicContact CZ2-CB 3.86Å; W1367-L1376 HydrophobicContact CZ2-CD1 4.27Å; W1367-L1376 PolarHBondContact N-O 3.38Å; W1367-L1376 PolarHBondContact O-N 2.97Å; W1367-L1376 VanDerWaalsContact O-O 3.14Å; V1374-L1376 HydrophobicContact CG1-CD2 4.15Å; V1374-L1376 HydrophobicContact CG1-CG 4.34Å; L1376-T1410 HydrophobicContact CB-CG2 4.21Å; L1376-T1410 HydrophobicContact CD2-CG2 4.2Å; L1376-H1411 CarbonylContact C-O 3.51Å; L1376-H1411 VanDerWaalsContact CA-O 3.29Å; L1376-H1411 WeakPolarHBondContact CA-O 3.31Å; L1376-A1412 HydrophobicContact CD2-CB 4.39Å |
| 1377 | F | 94.7 | Very high | 89 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 157.3 | 170.3 | 70.8 | -86 | 0 | 0 | 0 | 110.8 | L1347 V1349 V1361 V1363 K1365 L1366 T1410 H1411 L1413 A1416 | L1347-F1377 HydrophobicContact CB-CE2 4.41Å; L1347-F1377 HydrophobicContact CB-CZ 4.24Å; L1347-F1377 HydrophobicContact CD1-CD1 4.14Å; L1347-F1377 HydrophobicContact CD1-CD2 4.26Å; L1347-F1377 HydrophobicContact CD1-CE1 3.84Å; L1347-F1377 HydrophobicContact CD1-CE2 3.97Å; L1347-F1377 HydrophobicContact CD1-CG 4.34Å; L1347-F1377 HydrophobicContact CD1-CZ 3.74Å; V1349-F1377 HydrophobicContact CG2-CE2 4.4Å; V1349-F1377 HydrophobicContact CG2-CZ 3.85Å; V1361-F1377 HydrophobicContact CB-CE2 4.21Å; V1361-F1377 HydrophobicContact CG1-CE2 3.97Å; V1363-F1377 HydrophobicContact CG1-CB 4.25Å; V1363-F1377 HydrophobicContact CG2-CB 4.48Å; V1363-F1377 HydrophobicContact CG2-CD2 3.95Å; V1363-F1377 HydrophobicContact CG2-CG 4.36Å; K1365-F1377 CarbonylContact O-C 3.53Å; K1365-F1377 VanDerWaalsContact O-CA 3.24Å; K1365-F1377 WeakPolarHBondContact O-CA 3.35Å; L1366-F1377 HydrophobicContact CD1-CB 3.98Å; F1377-T1410 CarbonylContact O-C 3.55Å; F1377-T1410 WeakPolarHBondContact O-CA 3.46Å; F1377-H1411 HydrophobicContact CD1-CB 4.14Å; F1377-H1411 WeakPolarHBondContact CD1-O 3.49Å; F1377-H1411 HydrophobicContact CE1-CB 3.61Å; F1377-H1411 HydrophobicContact CE2-CB 4.07Å; F1377-H1411 HydrophobicContact CZ-CB 3.57Å; F1377-H1411 PolarHBondContact N-O 2.95Å; F1377-H1411 PolarHBondContact O-N 3.47Å; F1377-L1413 HydrophobicContact CD1-CB 4.47Å; F1377-L1413 HydrophobicContact CD1-CD1 4.37Å; F1377-A1416 HydrophobicContact CE1-CB 4.48Å |
| 1378 | T | 92.4 | Very high | 88.8 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 156.8 | 173.9 | -162.6 | 0 | 0 | 0 | 0 | 111.5 | D1364 K1365 W1367 H1408 A1409 T1410 | D1364-T1378 WeakPolarHBondContact CB-O 3.36Å; D1364-T1378 PolarHBondContact N-O 2.96Å; K1365-T1378 HydrophobicContact CB-CG2 4.09Å; K1365-T1378 PolarHBondContact N-O 3.15Å; K1365-T1378 PolarHBondContact O-N 3.44Å; W1367-T1378 HydrophobicContact CH2-CG2 3.97Å; W1367-T1378 HydrophobicContact CZ3-CG2 3.74Å; T1378-H1408 HydrophobicContact CG2-CB 4.46Å; T1378-H1408 WeakPolarHBondContact OG1-CB 3.48Å; T1378-H1408 PolarHBondContact OG1-O 2.87Å; T1378-A1409 WeakPolarHBondContact CA-O 3.11Å; T1378-A1409 VanDerWaalsContact OG1-C 3.25Å; T1378-A1409 PolarHBondContact OG1-O 3.17Å; T1378-T1410 PolarHBondContact OG1-OG1 3.41Å |
| 1379 | G | 91.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.1 | -175.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1362 A1409 | R1362-G1379 VanDerWaalsContact O-CA 3.32Å; R1362-G1379 WeakPolarHBondContact O-CA 3.22Å; G1379-A1409 PolarHBondContact O-N 3.43Å |
| 1380 | P | 90.5 | Very high | 88.4 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 5% | 0.045 | 26% | 0.261 | C | S | . | . | trans | -80.9 | 150.5 | -177.9 | 33.4 | -38.5 | 0 | 0 | 0 | 112.3 | R1362 D1364 F1382 L1403 | R1362-P1380 HydrophobicContact CB-CG 4.48Å; R1362-P1380 PolarHBondContact N-O 2.87Å; D1364-P1380 WeakPolarHBondContact OD2-CD 3.29Å; P1380-F1382 HydrophobicContact CG-CE2 4.5Å; P1380-L1403 HydrophobicContact CB-CD1 3.6Å; P1380-L1403 HydrophobicContact CG-CD1 3.61Å | ||
| 1381 | W | 89.1 | Confident | 88.7 | Confident | 47 Ų | 47 | 42.4 Ų | 42.4 | 18% | 0.178 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 153.2 | 174.2 | -59.5 | 73.4 | 0 | 0 | 0 | 111.6 | S1359 I1360 V1361 T1404 A1409 H1411 | S1359-W1381 VanDerWaalsContact CB-CZ3 3.45Å; I1360-W1381 CarbonylContact O-C 3.57Å; I1360-W1381 WeakPolarHBondContact O-CA 3.36Å; V1361-W1381 HydrophobicContact CG2-CD2 3.98Å; V1361-W1381 HydrophobicContact CG2-CE3 3.97Å; V1361-W1381 HydrophobicContact CG2-CG 4.41Å; V1361-W1381 HydrophobicContact CG2-CZ3 4.36Å; W1381-T1404 HydrophobicContact CB-CG2 4.09Å; W1381-T1404 PolarHBondContact O-N 3.35Å; W1381-T1404 PolarHBondContact O-OG1 2.77Å; W1381-A1409 HydrophobicContact CZ2-CB 3.83Å; W1381-H1411 AromaticContact CE2-NE2 3.87Å; W1381-H1411 AromaticContact CH2-CE1 3.61Å; W1381-H1411 AromaticContact CH2-NE2 3.75Å; W1381-H1411 AromaticContact CZ2-CE1 3.42Å; W1381-H1411 VanDerWaalsContact CZ2-CE1 3.42Å; W1381-H1411 WeakPolarHBondContact CZ2-CE1 3.49Å; W1381-H1411 AromaticContact CZ2-NE2 3.26Å; W1381-H1411 VanDerWaalsContact CZ2-NE2 3.26Å; W1381-H1411 WeakPolarHBondContact CZ2-NE2 3.49Å |
| 1382 | F | 92.5 | Very high | 88.9 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.7 | 167.9 | -69.4 | -104 | 0 | 0 | 0 | 109.6 | F1346 I1360 R1362 P1380 V1401 F1402 L1403 V1422 C1444 L1462 | F1346-F1382 HydrophobicContact CD1-CE2 4.22Å; F1346-F1382 AromaticContact CE1-CE2 3.9Å; F1346-F1382 HydrophobicContact CE1-CE2 3.9Å; F1346-F1382 AromaticContact CE1-CZ 3.9Å; F1346-F1382 HydrophobicContact CE1-CZ 3.9Å; I1360-F1382 HydrophobicContact CB-CB 4.09Å; I1360-F1382 HydrophobicContact CG2-CB 4.11Å; I1360-F1382 HydrophobicContact CG2-CD2 4.25Å; I1360-F1382 HydrophobicContact CG2-CG 4.39Å; I1360-F1382 PolarHBondContact O-N 3.31Å; R1362-F1382 HydrophobicContact CB-CE2 3.97Å; P1380-F1382 HydrophobicContact CG-CE2 4.5Å; F1382-V1401 HydrophobicContact CB-CB 4.26Å; F1382-V1401 HydrophobicContact CB-CG2 4.25Å; F1382-V1401 HydrophobicContact CD1-CG2 3.96Å; F1382-V1401 HydrophobicContact CG-CG2 4.5Å; F1382-F1402 CarbonylContact C-O 3.54Å; F1382-F1402 WeakPolarHBondContact CA-O 3.44Å; F1382-L1403 HydrophobicContact CD1-CB 4.36Å; F1382-L1403 HydrophobicContact CD2-CD1 4.48Å; F1382-L1403 HydrophobicContact CE1-CB 4.02Å; F1382-L1403 HydrophobicContact CE1-CD1 4Å; F1382-L1403 HydrophobicContact CE2-CD1 3.81Å; F1382-L1403 HydrophobicContact CZ-CB 4.44Å; F1382-L1403 HydrophobicContact CZ-CD1 3.56Å; F1382-V1422 HydrophobicContact CD1-CG1 4.17Å; F1382-V1422 HydrophobicContact CE1-CG1 3.99Å; F1382-C1444 HydrophobicContact CD1-CB 4.31Å; F1382-C1444 HydrophobicContact CE1-CB 4.04Å; F1382-L1462 HydrophobicContact CE1-CD2 4.04Å; F1382-L1462 HydrophobicContact CZ-CD2 4.2Å |
| 1383 | V | 89.9 | Confident | 89.1 | Confident | 37 Ų | 37 | 32.2 Ų | 32.2 | 22% | 0.224 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 135.7 | 177 | -70.4 | 0 | 0 | 0 | 0 | 111.2 | V1388 V1401 F1402 T1404 Y1448 | V1383-V1388 HydrophobicContact CB-CG2 4.21Å; V1383-V1388 HydrophobicContact CG2-CG2 3.49Å; V1383-V1388 VanDerWaalsContact CG2-CG2 3.49Å; V1383-V1401 CarbonylContact O-C 3.56Å; V1383-V1401 WeakPolarHBondContact O-CA 3.36Å; V1383-F1402 HydrophobicContact CG2-CB 4.15Å; V1383-F1402 WeakPolarHBondContact CG2-O 3.25Å; V1383-F1402 PolarHBondContact N-O 3.36Å; V1383-F1402 PolarHBondContact O-N 2.89Å; V1383-T1404 HydrophobicContact CB-CG2 4.31Å; V1383-T1404 HydrophobicContact CG1-CG2 3.62Å; V1383-T1404 HydrophobicContact CG2-CG2 3.87Å; V1383-Y1448 HydrophobicContact CG2-CD1 4.23Å |
| 1384 | I | 90.5 | Very high | 89.2 | Confident | 46 Ų | 46 | 30.2 Ų | 30.2 | 24% | 0.236 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 155.8 | 174.5 | 51.6 | -178.6 | 0 | 0 | 0 | 111.9 | E1357 S1386 A1387 V1401 | E1357-I1384 HydrophobicContact CB-CD1 4.41Å; E1357-I1384 HydrophobicContact CG-CD1 4.11Å; E1357-I1384 WeakPolarHBondContact OE1-CD1 3.35Å; I1384-S1386 WeakPolarHBondContact CD1-OG 3.39Å; I1384-S1386 WeakPolarHBondContact CG1-OG 3.36Å; I1384-S1386 PolarHBondContact O-N 2.85Å; I1384-S1386 VanDerWaalsContact O-N 3.16Å; I1384-A1387 HydrophobicContact CG1-CB 3.97Å; I1384-A1387 PolarHBondContact O-N 2.88Å; I1384-V1401 HydrophobicContact CG2-CG1 3.91Å |
| 1385 | S | 87.7 | Confident | 89.1 | Confident | 22 Ų | 22 | 28.8 Ų | 28.8 | 15% | 0.154 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -58.4 | -26.4 | -178.2 | 57.6 | 0 | 0 | 0 | 0 | 115.2 | A1387 H1390 F1396 E1400 | S1385-A1387 VanDerWaalsContact C-N 3.34Å; S1385-H1390 PolarHBondContact O-CE1 3.26Å; S1385-F1396 VanDerWaalsContact CB-CD1 3.41Å; S1385-E1400 PolarHBondContact N-O 3.17Å |
| 1386 | S | 82.5 | Confident | 89 | Confident | 58 Ų | 58 | 28.2 Ų | 28.2 | 41% | 0.406 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -70.2 | -25 | 174 | 46 | 0 | 0 | 0 | 0 | 114 | I1384 | I1384-S1386 WeakPolarHBondContact CD1-OG 3.39Å; I1384-S1386 WeakPolarHBondContact CG1-OG 3.36Å; I1384-S1386 PolarHBondContact O-N 2.85Å; I1384-S1386 VanDerWaalsContact O-N 3.16Å |
| 1387 | A | 85 | Confident | 88.8 | Confident | 62 Ų | 62 | 29.9 Ų | 29.9 | 51% | 0.512 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -96.5 | 12.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1384 S1385 | I1384-A1387 HydrophobicContact CG1-CB 3.97Å; I1384-A1387 PolarHBondContact O-N 2.88Å; S1385-A1387 VanDerWaalsContact C-N 3.34Å |
| 1388 | V | 87.4 | Confident | 88.2 | Confident | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -123.4 | 136.3 | -172.3 | 171.2 | 0 | 0 | 0 | 0 | 110.1 | V1383 H1390 F1402 Y1448 I1455 | V1383-V1388 HydrophobicContact CB-CG2 4.21Å; V1383-V1388 HydrophobicContact CG2-CG2 3.49Å; V1383-V1388 VanDerWaalsContact CG2-CG2 3.49Å; V1388-H1390 PolarHBondContact O-CE1 3.14Å; V1388-H1390 PolarHBondContact O-N 3.48Å; V1388-H1390 PolarHBondContact O-ND1 3.06Å; V1388-F1402 HydrophobicContact CG2-CD2 4.05Å; V1388-Y1448 HydrophobicContact CG1-CD1 4.27Å; V1388-Y1448 HydrophobicContact CG1-CD2 3.58Å; V1388-Y1448 HydrophobicContact CG1-CE1 4.25Å; V1388-Y1448 HydrophobicContact CG1-CE2 3.58Å; V1388-Y1448 HydrophobicContact CG1-CG 3.94Å; V1388-Y1448 HydrophobicContact CG2-CD1 3.98Å; V1388-Y1448 HydrophobicContact CG2-CE1 4.28Å; V1388-Y1448 HydrophobicContact CG2-CG 4.14Å; V1388-I1455 HydrophobicContact CG1-CD1 3.64Å; V1388-I1455 HydrophobicContact CG1-CG1 3.72Å |
| 1389 | D | 86.1 | Confident | 88.1 | Confident | 73 Ų | 73 | 35 Ų | 35 | 39% | 0.39 | 19% | 0.188 | S | C | . | . | trans | -69.4 | 127.2 | 173.4 | -66 | -86.5 | 0 | 0 | 0 | 111.4 | Y1448 K1453 | D1389-Y1448 PolarHBondContact N-OH 3.39Å; D1389-Y1448 PolarHBondContact OD2-OH 3.37Å; D1389-K1453 HydrophobicContact CB-CB 4.08Å; D1389-K1453 HydrophobicContact CB-CD 4.1Å; D1389-K1453 HydrophobicContact CB-CG 4.17Å; D1389-K1453 IonicContact OD1-NZ 3.04Å; D1389-K1453 PolarHBondContact OD1-NZ 2.62Å; D1389-K1453 WeakPolarHBondContact OD2-CD 3.16Å; D1389-K1453 WeakPolarHBondContact OD2-CE 3.37Å; D1389-K1453 IonicContact OD2-NZ 2.67Å; D1389-K1453 PolarHBondContact OD2-NZ 3.11Å | ||
| 1390 | H | 87.4 | Confident | 88.1 | Confident | 28 Ų | 28 | 35.2 Ų | 35.2 | 13% | 0.13 | 19% | 0.189 | C | C | . | . | trans | -160.9 | 163.8 | 178.7 | 59.5 | -85 | 0 | 0 | 0 | 113.1 | S1385 V1388 F1396 S1491 L1493 | S1385-H1390 PolarHBondContact O-CE1 3.26Å; V1388-H1390 PolarHBondContact O-CE1 3.14Å; V1388-H1390 PolarHBondContact O-N 3.48Å; V1388-H1390 PolarHBondContact O-ND1 3.06Å; H1390-F1396 HydrophobicContact CB-CZ 4.22Å; H1390-F1396 AromaticContact CD2-CE2 3.36Å; H1390-F1396 WeakPolarHBondContact CD2-CE2 3.48Å; H1390-F1396 AromaticContact CD2-CZ 3.45Å; H1390-F1396 VanDerWaalsContact CD2-CZ 3.45Å; H1390-F1396 WeakPolarHBondContact CD2-CZ 3.46Å; H1390-F1396 AromaticContact CE1-CE2 3.93Å; H1390-F1396 AromaticContact CE1-CZ 3.77Å; H1390-F1396 AromaticContact CG-CZ 3.59Å; H1390-F1396 AromaticContact ND1-CZ 3.78Å; H1390-F1396 AromaticContact NE2-CE2 3.3Å; H1390-F1396 VanDerWaalsContact NE2-CE2 3.3Å; H1390-F1396 WeakPolarHBondContact NE2-CE2 3.32Å; H1390-F1396 AromaticContact NE2-CZ 3.56Å; H1390-S1491 PolarHBondContact CD2-OG 2.98Å; H1390-S1491 WeakPolarHBondContact NE2-CB 3.16Å; H1390-S1491 PolarHBondContact NE2-OG 3.47Å; H1390-L1493 WeakPolarHBondContact O-CD1 3.45Å | ||
| 1391 | L | 86.7 | Confident | 88.3 | Confident | 47 Ų | 47 | 34.9 Ų | 34.9 | 25% | 0.246 | 19% | 0.187 | C | C | . | . | trans | -64.4 | 134 | 172 | -64.1 | 167.7 | 0 | 0 | 0 | 110.8 | R864 T1393 R1394 | R864-L1391 HydrophobicContact CG-CD1 3.55Å; L1391-T1393 PolarHBondContact O-N 3.49Å; L1391-T1393 VanDerWaalsContact O-N 3.08Å; L1391-R1394 WeakPolarHBondContact O-CB 3.24Å; L1391-R1394 PolarHBondContact O-N 2.79Å | ||
| 1392 | P | 86.8 | Confident | 88.5 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 8% | 0.078 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.7 | 175.8 | -25.4 | 35.1 | 0 | 0 | 0 | 114.4 | Y873 L877 R1394 S1491 L1493 L1494 | Y873-P1392 WeakPolarHBondContact OH-CD 3.49Å; L877-P1392 HydrophobicContact CD1-CB 4.32Å; L877-P1392 HydrophobicContact CD2-CB 3.89Å; P1392-R1394 VanDerWaalsContact C-N 3.27Å; P1392-R1394 PolarHBondContact O-N 3.39Å; P1392-S1491 VanDerWaalsContact O-CB 3.31Å; P1392-S1491 WeakPolarHBondContact O-CB 3.44Å; P1392-L1493 HydrophobicContact CB-CB 4.29Å; P1392-L1493 HydrophobicContact CG-CB 4.2Å; P1392-L1494 HydrophobicContact CB-CB 4.49Å; P1392-L1494 HydrophobicContact CB-CD1 4.3Å; P1392-L1494 WeakPolarHBondContact O-CB 3.24Å |
| 1393 | T | 87.1 | Confident | 88.5 | Confident | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.025 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -14.7 | 173 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | F859 D860 C863 T876 L877 H880 L1391 | F859-T1393 HydrophobicContact CB-CG2 3.97Å; D860-T1393 WeakPolarHBondContact OD1-CB 3.4Å; D860-T1393 PolarHBondContact OD1-OG1 3.44Å; C863-T1393 HydrophobicContact CB-CG2 4.01Å; T876-T1393 HydrophobicContact CG2-CG2 4Å; L877-T1393 HydrophobicContact CD2-CG2 4.12Å; H880-T1393 PolarHBondContact CE1-O 2.8Å; L1391-T1393 PolarHBondContact O-N 3.49Å; L1391-T1393 VanDerWaalsContact O-N 3.08Å |
| 1394 | R | 89 | Confident | 88.5 | Confident | 72 Ų | 72 | 31.7 Ų | 31.7 | 27% | 0.272 | 17% | 0.173 | S | C | . | . | trans | -69.8 | 133.2 | -174.6 | -174.7 | 174.7 | 176.9 | 129.8 | 1.6 | 112 | L1391 P1392 F1396 I1455 S1491 | L1391-R1394 WeakPolarHBondContact O-CB 3.24Å; L1391-R1394 PolarHBondContact O-N 2.79Å; P1392-R1394 VanDerWaalsContact C-N 3.27Å; P1392-R1394 PolarHBondContact O-N 3.39Å; R1394-F1396 HydrophobicContact CB-CE2 3.95Å; R1394-F1396 HydrophobicContact CB-CZ 4.36Å; R1394-F1396 HydrophobicContact CG-CD2 4.45Å; R1394-F1396 HydrophobicContact CG-CE2 3.77Å; R1394-F1396 HydrophobicContact CG-CZ 3.87Å; R1394-F1396 WeakPolarHBondContact O-CD2 3.19Å; R1394-F1396 WeakPolarHBondContact O-CE2 3.3Å; R1394-I1455 VanDerWaalsContact CZ-CD1 3.41Å; R1394-S1491 VanDerWaalsContact O-CB 3.32Å; R1394-S1491 WeakPolarHBondContact O-CB 3.49Å; R1394-S1491 PolarHBondContact O-N 3.25Å; R1394-S1491 VanDerWaalsContact O-N 3.16Å | ||
| 1395 | L | 88.4 | Confident | 87.8 | Confident | 24 Ų | 24 | 31.8 Ų | 31.8 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | trans | -98 | 136.7 | 177.1 | -55.8 | -177.9 | 0 | 0 | 0 | 112.6 | F856 L884 K1488 D1489 | F856-L1395 HydrophobicContact CD1-CD1 4.28Å; F856-L1395 HydrophobicContact CD2-CD1 3.6Å; F856-L1395 HydrophobicContact CE1-CD1 4.3Å; F856-L1395 HydrophobicContact CE2-CD1 3.63Å; F856-L1395 HydrophobicContact CG-CD1 3.97Å; F856-L1395 HydrophobicContact CZ-CD1 4Å; L884-L1395 HydrophobicContact CD1-CD2 3.88Å; L884-L1395 HydrophobicContact CD2-CD1 4.27Å; L884-L1395 HydrophobicContact CD2-CD2 3.93Å; L1395-K1488 HydrophobicContact CB-CB 3.8Å; L1395-K1488 HydrophobicContact CB-CD 4.19Å; L1395-K1488 PolarHBondContact O-NZ 3.12Å; L1395-D1489 VanDerWaalsContact CA-O 3.3Å; L1395-D1489 WeakPolarHBondContact CA-O 3.4Å; L1395-D1489 WeakPolarHBondContact CD2-O 3.49Å | ||
| 1396 | F | 89.9 | Confident | 86.9 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -118 | 147.4 | -175.5 | -67.4 | -93.2 | 0 | 0 | 0 | 111.1 | S1385 H1390 R1394 E1400 F1402 I1455 K1488 D1489 | S1385-F1396 VanDerWaalsContact CB-CD1 3.41Å; H1390-F1396 HydrophobicContact CB-CZ 4.22Å; H1390-F1396 AromaticContact CD2-CE2 3.36Å; H1390-F1396 WeakPolarHBondContact CD2-CE2 3.48Å; H1390-F1396 AromaticContact CD2-CZ 3.45Å; H1390-F1396 VanDerWaalsContact CD2-CZ 3.45Å; H1390-F1396 WeakPolarHBondContact CD2-CZ 3.46Å; H1390-F1396 AromaticContact CE1-CE2 3.93Å; H1390-F1396 AromaticContact CE1-CZ 3.77Å; H1390-F1396 AromaticContact CG-CZ 3.59Å; H1390-F1396 AromaticContact ND1-CZ 3.78Å; H1390-F1396 AromaticContact NE2-CE2 3.3Å; H1390-F1396 VanDerWaalsContact NE2-CE2 3.3Å; H1390-F1396 WeakPolarHBondContact NE2-CE2 3.32Å; H1390-F1396 AromaticContact NE2-CZ 3.56Å; R1394-F1396 HydrophobicContact CB-CE2 3.95Å; R1394-F1396 HydrophobicContact CB-CZ 4.36Å; R1394-F1396 HydrophobicContact CG-CD2 4.45Å; R1394-F1396 HydrophobicContact CG-CE2 3.77Å; R1394-F1396 HydrophobicContact CG-CZ 3.87Å; R1394-F1396 WeakPolarHBondContact O-CD2 3.19Å; R1394-F1396 WeakPolarHBondContact O-CE2 3.3Å; F1396-E1400 VanDerWaalsContact CA-OE2 3.27Å; F1396-E1400 WeakPolarHBondContact CA-OE2 3.27Å; F1396-E1400 HydrophobicContact CB-CB 4.35Å; F1396-E1400 HydrophobicContact CD1-CB 4.42Å; F1396-F1402 AromaticContact CD1-CE2 3.88Å; F1396-F1402 HydrophobicContact CD1-CE2 3.88Å; F1396-F1402 AromaticContact CD1-CZ 3.67Å; F1396-F1402 HydrophobicContact CD1-CZ 3.67Å; F1396-F1402 AromaticContact CE1-CE2 3.62Å; F1396-F1402 HydrophobicContact CE1-CE2 3.62Å; F1396-F1402 AromaticContact CE1-CZ 3.53Å; F1396-F1402 HydrophobicContact CE1-CZ 3.53Å; F1396-I1455 HydrophobicContact CE1-CD1 4.34Å; F1396-K1488 CarbonylContact O-C 3.42Å; F1396-K1488 WeakPolarHBondContact O-CA 3.48Å; F1396-K1488 WeakPolarHBondContact O-CB 3.34Å; F1396-D1489 PolarHBondContact N-O 3.08Å; F1396-D1489 PolarHBondContact O-N 2.8Å |
| 1397 | Y | 89.1 | Confident | 86 | Confident | 60 Ų | 60 | 37.4 Ų | 37.4 | 24% | 0.235 | 22% | 0.216 | C | C | . | . | trans | -67.5 | 153.1 | 166.7 | -65.8 | -69.5 | 0 | 0 | 0 | 109.6 | K1399 E1400 P1425 M1443 P1486 K1488 | Y1397-K1399 PolarHBondContact O-N 3.42Å; Y1397-K1399 VanDerWaalsContact O-N 3.14Å; Y1397-E1400 HydrophobicContact CD2-CG 4.38Å; Y1397-E1400 WeakPolarHBondContact CD2-OE2 3.48Å; Y1397-E1400 PolarHBondContact N-OE2 2.85Å; Y1397-E1400 WeakPolarHBondContact O-CB 3.4Å; Y1397-E1400 PolarHBondContact O-N 2.87Å; Y1397-P1425 HydrophobicContact CD2-CB 4.4Å; Y1397-P1425 HydrophobicContact CD2-CG 3.95Å; Y1397-P1425 HydrophobicContact CE2-CB 3.92Å; Y1397-P1425 HydrophobicContact CE2-CG 3.69Å; Y1397-M1443 HydrophobicContact CG-CE 4.42Å; Y1397-M1443 HydrophobicContact CG-SD 4.29Å; Y1397-P1486 HydrophobicContact CD1-CB 4.15Å; Y1397-P1486 HydrophobicContact CD1-CG 4.09Å; Y1397-P1486 WeakPolarHBondContact CD1-O 3.47Å; Y1397-P1486 HydrophobicContact CE1-CG 4.19Å; Y1397-P1486 WeakPolarHBondContact CE1-O 3.27Å; Y1397-K1488 HydrophobicContact CD1-CD 4.44Å; Y1397-K1488 HydrophobicContact CD1-CG 3.54Å; Y1397-K1488 HydrophobicContact CE1-CD 4.27Å; Y1397-K1488 HydrophobicContact CE1-CG 3.68Å; Y1397-K1488 VanDerWaalsContact CE2-CE 3.47Å; Y1397-K1488 HydrophobicContact CG-CG 3.99Å | ||
| 1398 | P | 83.8 | Confident | 85.6 | Confident | 42 Ų | 42 | 37.3 Ų | 37.3 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 122.5 | 173.5 | -16.1 | 29.4 | 0 | 0 | 0 | 107.5 | E1400 M1443 R1487 D1489 | P1398-E1400 VanDerWaalsContact C-N 3.34Å; P1398-E1400 PolarHBondContact O-N 3.34Å; P1398-M1443 WeakPolarHBondContact O-CE 3.21Å; P1398-R1487 VanDerWaalsContact CD-O 3.26Å; P1398-R1487 WeakPolarHBondContact CD-O 3.49Å; P1398-D1489 WeakPolarHBondContact CG-OD2 3.44Å |
| 1399 | K | 89 | Confident | 85.1 | Confident | 76 Ų | 76 | 38.3 Ų | 38.3 | 33% | 0.33 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 35.4 | -172.7 | -45.8 | 174 | -169.8 | 178.4 | 0 | 114.5 | Y1397 V1401 E1438 Q1439 I1441 Y1442 M1443 | Y1397-K1399 PolarHBondContact O-N 3.42Å; Y1397-K1399 VanDerWaalsContact O-N 3.14Å; K1399-V1401 PolarHBondContact O-N 2.78Å; K1399-E1438 PolarHBondContact NZ-O 3.42Å; K1399-Q1439 VanDerWaalsContact NZ-CA 3.29Å; K1399-Q1439 PolarHBondContact NZ-O 3.43Å; K1399-I1441 WeakPolarHBondContact CD-O 3.36Å; K1399-Y1442 HydrophobicContact CB-CD1 3.66Å; K1399-Y1442 HydrophobicContact CB-CE1 4.13Å; K1399-Y1442 HydrophobicContact CB-CG 4.33Å; K1399-Y1442 HydrophobicContact CG-CD1 4.48Å; K1399-M1443 PolarHBondContact O-N 3.39Å |
| 1400 | E | 92.6 | Very high | 85.2 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.023 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -65.6 | 124.6 | 165.5 | -159.3 | 170 | 172.8 | 0 | 0 | 110 | S1385 F1396 Y1397 P1398 F1402 M1443 K1488 | S1385-E1400 PolarHBondContact N-O 3.17Å; F1396-E1400 VanDerWaalsContact CA-OE2 3.27Å; F1396-E1400 WeakPolarHBondContact CA-OE2 3.27Å; F1396-E1400 HydrophobicContact CB-CB 4.35Å; F1396-E1400 HydrophobicContact CD1-CB 4.42Å; Y1397-E1400 HydrophobicContact CD2-CG 4.38Å; Y1397-E1400 WeakPolarHBondContact CD2-OE2 3.48Å; Y1397-E1400 PolarHBondContact N-OE2 2.85Å; Y1397-E1400 WeakPolarHBondContact O-CB 3.4Å; Y1397-E1400 PolarHBondContact O-N 2.87Å; P1398-E1400 VanDerWaalsContact C-N 3.34Å; P1398-E1400 PolarHBondContact O-N 3.34Å; E1400-F1402 HydrophobicContact CB-CZ 4.38Å; E1400-F1402 HydrophobicContact CG-CE1 4.04Å; E1400-F1402 HydrophobicContact CG-CE2 4.34Å; E1400-F1402 HydrophobicContact CG-CZ 3.66Å; E1400-M1443 CarbonylContact C-O 3.57Å; E1400-M1443 WeakPolarHBondContact CA-O 3.38Å; E1400-K1488 IonicContact OE1-NZ 3.47Å; E1400-K1488 IonicContact OE2-NZ 3.45Å; E1400-K1488 PolarHBondContact OE2-NZ 2.73Å |
| 1401 | V | 93.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 154.5 | 175.5 | -63.3 | 0 | 0 | 0 | 0 | 109.8 | I1360 F1382 V1383 I1384 K1399 V1422 Y1442 M1443 C1444 | I1360-V1401 HydrophobicContact CD1-CG1 4.43Å; F1382-V1401 HydrophobicContact CB-CB 4.26Å; F1382-V1401 HydrophobicContact CB-CG2 4.25Å; F1382-V1401 HydrophobicContact CD1-CG2 3.96Å; F1382-V1401 HydrophobicContact CG-CG2 4.5Å; V1383-V1401 CarbonylContact O-C 3.56Å; V1383-V1401 WeakPolarHBondContact O-CA 3.36Å; I1384-V1401 HydrophobicContact CG2-CG1 3.91Å; K1399-V1401 PolarHBondContact O-N 2.78Å; V1401-V1422 HydrophobicContact CG2-CG1 3.73Å; V1401-V1422 HydrophobicContact CG2-CG2 4.33Å; V1401-Y1442 HydrophobicContact CG1-CD1 3.56Å; V1401-Y1442 HydrophobicContact CG1-CE1 4.26Å; V1401-Y1442 HydrophobicContact CG1-CG 4.27Å; V1401-M1443 PolarHBondContact N-O 2.81Å; V1401-C1444 HydrophobicContact CG2-CB 4.14Å; V1401-C1444 WeakPolarHBondContact O-CA 3.36Å; V1401-C1444 WeakPolarHBondContact O-CB 3.45Å; V1401-C1444 PolarHBondContact O-SG 2.85Å; V1401-C1444 VanDerWaalsContact O-SG 3.39Å |
| 1402 | F | 93.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.7 | -175 | -57.3 | -76 | 0 | 0 | 0 | 110.2 | F1382 V1383 V1388 F1396 E1400 T1404 S1446 I1455 | F1382-F1402 CarbonylContact C-O 3.54Å; F1382-F1402 WeakPolarHBondContact CA-O 3.44Å; V1383-F1402 HydrophobicContact CG2-CB 4.15Å; V1383-F1402 WeakPolarHBondContact CG2-O 3.25Å; V1383-F1402 PolarHBondContact N-O 3.36Å; V1383-F1402 PolarHBondContact O-N 2.89Å; V1388-F1402 HydrophobicContact CG2-CD2 4.05Å; F1396-F1402 AromaticContact CD1-CE2 3.88Å; F1396-F1402 HydrophobicContact CD1-CE2 3.88Å; F1396-F1402 AromaticContact CD1-CZ 3.67Å; F1396-F1402 HydrophobicContact CD1-CZ 3.67Å; F1396-F1402 AromaticContact CE1-CE2 3.62Å; F1396-F1402 HydrophobicContact CE1-CE2 3.62Å; F1396-F1402 AromaticContact CE1-CZ 3.53Å; F1396-F1402 HydrophobicContact CE1-CZ 3.53Å; E1400-F1402 HydrophobicContact CB-CZ 4.38Å; E1400-F1402 HydrophobicContact CG-CE1 4.04Å; E1400-F1402 HydrophobicContact CG-CE2 4.34Å; E1400-F1402 HydrophobicContact CG-CZ 3.66Å; F1402-T1404 PolarHBondContact O-N 2.79Å; F1402-S1446 WeakPolarHBondContact CA-O 3.3Å; F1402-I1455 HydrophobicContact CD1-CG2 3.63Å; F1402-I1455 HydrophobicContact CE1-CD1 4.39Å; F1402-I1455 HydrophobicContact CE1-CG2 3.63Å; F1402-I1455 HydrophobicContact CE2-CD1 4.46Å; F1402-I1455 HydrophobicContact CG-CG2 4.5Å; F1402-I1455 HydrophobicContact CZ-CD1 4.25Å |
| 1403 | L | 92.7 | Very high | 85.9 | Confident | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 130 | 169.3 | -177.9 | 71.6 | 0 | 0 | 0 | 108.9 | P1380 F1382 S1446 K1447 Y1448 L1458 | P1380-L1403 HydrophobicContact CB-CD1 3.6Å; P1380-L1403 HydrophobicContact CG-CD1 3.61Å; F1382-L1403 HydrophobicContact CD1-CB 4.36Å; F1382-L1403 HydrophobicContact CD2-CD1 4.48Å; F1382-L1403 HydrophobicContact CE1-CB 4.02Å; F1382-L1403 HydrophobicContact CE1-CD1 4Å; F1382-L1403 HydrophobicContact CE2-CD1 3.81Å; F1382-L1403 HydrophobicContact CZ-CB 4.44Å; F1382-L1403 HydrophobicContact CZ-CD1 3.56Å; L1403-S1446 PolarHBondContact N-O 3.43Å; L1403-K1447 HydrophobicContact CB-CB 4.33Å; L1403-K1447 HydrophobicContact CB-CG 4.15Å; L1403-K1447 HydrophobicContact CD2-CD 4.22Å; L1403-K1447 HydrophobicContact CD2-CG 4.16Å; L1403-K1447 HydrophobicContact CG-CG 4.18Å; L1403-K1447 CarbonylContact O-C 3.47Å; L1403-K1447 WeakPolarHBondContact O-CA 3.46Å; L1403-K1447 WeakPolarHBondContact O-CG 3.45Å; L1403-Y1448 PolarHBondContact O-N 3.19Å; L1403-L1458 HydrophobicContact CD2-CD2 3.92Å |
| 1404 | T | 88.8 | Confident | 86 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 5% | 0.049 | 26% | 0.258 | C | S | . | . | trans | -81.9 | 171 | 177 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | W1381 V1383 F1402 K1447 | W1381-T1404 HydrophobicContact CB-CG2 4.09Å; W1381-T1404 PolarHBondContact O-N 3.35Å; W1381-T1404 PolarHBondContact O-OG1 2.77Å; V1383-T1404 HydrophobicContact CB-CG2 4.31Å; V1383-T1404 HydrophobicContact CG1-CG2 3.62Å; V1383-T1404 HydrophobicContact CG2-CG2 3.87Å; F1402-T1404 PolarHBondContact O-N 2.79Å; T1404-K1447 VanDerWaalsContact O-CE 3.27Å; T1404-K1447 WeakPolarHBondContact O-CE 3.32Å; T1404-K1447 PolarHBondContact O-NZ 3.27Å | ||
| 1405 | G | 76.8 | Confident | 86 | Confident | 48 Ų | 48 | 41.3 Ų | 41.3 | 50% | 0.495 | 26% | 0.259 | S | S | . | . | trans | -99.8 | 8.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y1448 | G1405-Y1448 PolarHBondContact N-O 2.9Š| ||
| 1406 | A | 67.8 | Low | 86.1 | Confident | 51 Ų | 51 | 41.1 Ų | 41.1 | 42% | 0.421 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -77.9 | 155.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1407 | D | 65.6 | Low | 86.1 | Confident | 148 Ų | 148 | 44.7 Ų | 44.7 | 79% | 0.791 | 28% | 0.283 | S | S | * | . | trans | -63.5 | 152 | 179.1 | -52.9 | -53.9 | 0 | 0 | 0 | 111.8 | A1409 | D1407-A1409 PolarHBondContact O-N 3.39Å; D1407-A1409 VanDerWaalsContact O-N 3.09Å | ||
| 1408 | H | 76.5 | Confident | 86.2 | Confident | 60 Ų | 60 | 42.8 Ų | 42.8 | 28% | 0.278 | 28% | 0.282 | S | S | . | . | trans | -64.5 | 111 | -173.7 | -57.1 | -105.6 | 0 | 0 | 0 | 110.9 | D1364 T1378 | D1364-H1408 IonicContact OD2-CE1 3.49Å; D1364-H1408 PolarHBondContact OD2-CE1 3.25Å; D1364-H1408 IonicContact OD2-ND1 3.77Å; D1364-H1408 PolarHBondContact OD2-ND1 3.22Å; T1378-H1408 HydrophobicContact CG2-CB 4.46Å; T1378-H1408 WeakPolarHBondContact OG1-CB 3.48Å; T1378-H1408 PolarHBondContact OG1-O 2.87Å | ||
| 1409 | A | 76.2 | Confident | 86.6 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 22% | 0.223 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 133.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1378 G1379 W1381 D1407 H1411 | T1378-A1409 WeakPolarHBondContact CA-O 3.11Å; T1378-A1409 VanDerWaalsContact OG1-C 3.25Å; T1378-A1409 PolarHBondContact OG1-O 3.17Å; G1379-A1409 PolarHBondContact O-N 3.43Å; W1381-A1409 HydrophobicContact CZ2-CB 3.83Å; D1407-A1409 PolarHBondContact O-N 3.39Å; D1407-A1409 VanDerWaalsContact O-N 3.09Å; A1409-H1411 PolarHBondContact O-CD2 3.12Å |
| 1410 | T | 88.8 | Confident | 86.8 | Confident | 76 Ų | 76 | 39 Ų | 39 | 47% | 0.466 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.6 | 178.1 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | W1367 L1376 F1377 T1378 | W1367-T1410 HydrophobicContact CH2-CG2 3.64Å; W1367-T1410 HydrophobicContact CZ2-CG2 3.65Å; L1376-T1410 HydrophobicContact CB-CG2 4.21Å; L1376-T1410 HydrophobicContact CD2-CG2 4.2Å; F1377-T1410 CarbonylContact O-C 3.55Å; F1377-T1410 WeakPolarHBondContact O-CA 3.46Å; T1378-T1410 PolarHBondContact OG1-OG1 3.41Å |
| 1411 | H | 89.8 | Confident | 87 | Confident | 29 Ų | 29 | 40.7 Ų | 40.7 | 13% | 0.134 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 149.9 | -178 | -63.6 | -74.1 | 0 | 0 | 0 | 111 | L1376 F1377 W1381 A1409 | L1376-H1411 CarbonylContact C-O 3.51Å; L1376-H1411 VanDerWaalsContact CA-O 3.29Å; L1376-H1411 WeakPolarHBondContact CA-O 3.31Å; F1377-H1411 HydrophobicContact CD1-CB 4.14Å; F1377-H1411 WeakPolarHBondContact CD1-O 3.49Å; F1377-H1411 HydrophobicContact CE1-CB 3.61Å; F1377-H1411 HydrophobicContact CE2-CB 4.07Å; F1377-H1411 HydrophobicContact CZ-CB 3.57Å; F1377-H1411 PolarHBondContact N-O 2.95Å; F1377-H1411 PolarHBondContact O-N 3.47Å; W1381-H1411 AromaticContact CE2-NE2 3.87Å; W1381-H1411 AromaticContact CH2-CE1 3.61Å; W1381-H1411 AromaticContact CH2-NE2 3.75Å; W1381-H1411 AromaticContact CZ2-CE1 3.42Å; W1381-H1411 VanDerWaalsContact CZ2-CE1 3.42Å; W1381-H1411 WeakPolarHBondContact CZ2-CE1 3.49Å; W1381-H1411 AromaticContact CZ2-NE2 3.26Å; W1381-H1411 VanDerWaalsContact CZ2-NE2 3.26Å; W1381-H1411 WeakPolarHBondContact CZ2-NE2 3.49Å; A1409-H1411 PolarHBondContact O-CD2 3.12Å |
| 1412 | A | 91.9 | Very high | 87 | Confident | 33 Ų | 33 | 40.9 Ų | 40.9 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 138.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V1374 L1376 A1414 S1415 | V1374-A1412 HydrophobicContact CG1-CB 3.85Å; L1376-A1412 HydrophobicContact CD2-CB 4.39Å; A1412-A1414 PolarHBondContact O-N 3.32Å; A1412-S1415 PolarHBondContact O-N 3.1Å; A1412-S1415 PolarHBondContact O-OG 3.3Å |
| 1413 | L | 92 | Very high | 87 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -58.8 | -31.6 | 176.5 | -176.1 | 59.5 | 0 | 0 | 0 | 111.8 | Y1333 F1339 V1341 L1347 I1375 F1377 S1415 A1416 | Y1333-L1413 HydrophobicContact CD1-CD2 3.54Å; Y1333-L1413 HydrophobicContact CE1-CD2 3.85Å; F1339-L1413 HydrophobicContact CE1-CD1 4.23Å; V1341-L1413 HydrophobicContact CG2-CD1 3.89Å; L1347-L1413 HydrophobicContact CD1-CD1 3.91Å; I1375-L1413 HydrophobicContact CB-CB 3.88Å; I1375-L1413 HydrophobicContact CB-CD2 4.1Å; I1375-L1413 HydrophobicContact CG2-CB 3.87Å; I1375-L1413 HydrophobicContact CG2-CD2 3.7Å; I1375-L1413 HydrophobicContact CG2-CG 4.43Å; I1375-L1413 PolarHBondContact O-N 3.23Å; F1377-L1413 HydrophobicContact CD1-CB 4.47Å; F1377-L1413 HydrophobicContact CD1-CD1 4.37Å; L1413-S1415 PolarHBondContact O-N 3.27Å; L1413-A1416 HydrophobicContact CD1-CB 4.36Å; L1413-A1416 VanDerWaalsContact O-CB 3.27Å; L1413-A1416 WeakPolarHBondContact O-CB 3.34Å; L1413-A1416 PolarHBondContact O-N 3.38Å |
| 1414 | A | 89.6 | Confident | 87 | Confident | 102 Ų | 102 | 43.4 Ų | 43.4 | 84% | 0.843 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -65.6 | -11.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1412 | A1412-A1414 PolarHBondContact O-N 3.32Š|
| 1415 | S | 89.9 | Confident | 86.9 | Confident | 43 Ų | 43 | 43.6 Ų | 43.6 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -93.1 | -2.5 | 169.6 | 76.5 | 0 | 0 | 0 | 0 | 113.4 | P1350 A1412 L1413 | P1350-S1415 WeakPolarHBondContact CD-O 3.38Å; A1412-S1415 PolarHBondContact O-N 3.1Å; A1412-S1415 PolarHBondContact O-OG 3.3Å; L1413-S1415 PolarHBondContact O-N 3.27Å |
| 1416 | A | 90.5 | Very high | 87.4 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 17% | 0.174 | 28% | 0.276 | C | S | . | . | trans | -75.1 | 128.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L1347 Y1348 F1377 L1413 | L1347-A1416 HydrophobicContact CB-CB 4.23Å; L1347-A1416 HydrophobicContact CD1-CB 4.03Å; Y1348-A1416 CarbonylContact O-C 3.56Å; Y1348-A1416 WeakPolarHBondContact O-CA 3.01Å; F1377-A1416 HydrophobicContact CE1-CB 4.48Å; L1413-A1416 HydrophobicContact CD1-CB 4.36Å; L1413-A1416 VanDerWaalsContact O-CB 3.27Å; L1413-A1416 WeakPolarHBondContact O-CB 3.34Å; L1413-A1416 PolarHBondContact O-N 3.38Å | ||
| 1417 | T | 90.1 | Very high | 88.4 | Confident | 78 Ų | 78 | 44.1 Ų | 44.1 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | trans | -98.4 | -3.1 | -176.1 | 55 | 0 | 0 | 0 | 0 | 113.9 | Y1348 P1350 | Y1348-T1417 VanDerWaalsContact CB-OG1 3.23Å; Y1348-T1417 WeakPolarHBondContact CB-OG1 3.38Å; Y1348-T1417 PolarHBondContact O-N 2.65Å; Y1348-T1417 PolarHBondContact O-OG1 2.73Å; P1350-T1417 HydrophobicContact CG-CG2 3.98Å | ||
| 1418 | G | 90.3 | Very high | 89.6 | Confident | 21 Ų | 21 | 37.9 Ų | 37.9 | 22% | 0.216 | 23% | 0.234 | C | C | . | . | trans | 159.1 | 171.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1348 | Y1348-G1418 PolarHBondContact N-O 2.84Š| ||
| 1419 | K | 92.5 | Very high | 90.1 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 16% | 0.161 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 157.1 | 168.7 | -64.9 | -162.9 | -174.3 | -171.1 | 0 | 111.5 | F1339 S1340 D1345 F1346 L1347 I1436 | F1339-K1419 HydrophobicContact CE2-CG 4.04Å; F1339-K1419 HydrophobicContact CZ-CG 4.08Å; S1340-K1419 WeakPolarHBondContact O-CE 3.31Å; S1340-K1419 PolarHBondContact O-NZ 2.79Å; D1345-K1419 WeakPolarHBondContact OD2-CE 3.37Å; D1345-K1419 IonicContact OD2-NZ 2.71Å; D1345-K1419 PolarHBondContact OD2-NZ 3.48Å; F1346-K1419 CarbonylContact O-C 3.55Å; F1346-K1419 WeakPolarHBondContact O-CA 3.33Å; L1347-K1419 HydrophobicContact CD2-CG 4.04Å; K1419-I1436 HydrophobicContact CB-CD1 3.86Å; K1419-I1436 HydrophobicContact CD-CD1 4.37Å |
| 1420 | C | 94.5 | Very high | 90.6 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | -178.5 | 165.9 | 59.6 | 0 | 0 | 0 | 0 | 108.6 | F1346 Y1348 D1440 Y1442 | F1346-C1420 WeakPolarHBondContact CB-SG 3.46Å; F1346-C1420 PolarHBondContact O-N 3.41Å; F1346-C1420 PolarHBondContact O-SG 3Å; Y1348-C1420 HydrophobicContact CD1-CB 4.49Å; Y1348-C1420 HydrophobicContact CD2-CB 4.33Å; Y1348-C1420 HydrophobicContact CE1-CB 4.04Å; Y1348-C1420 HydrophobicContact CE2-CB 3.87Å; C1420-D1440 CarbonylContact C-O 3.49Å; C1420-D1440 VanDerWaalsContact CA-O 3.25Å; C1420-D1440 WeakPolarHBondContact CA-O 3.4Å; C1420-D1440 HydrophobicContact CB-CB 4.4Å; C1420-D1440 WeakPolarHBondContact CB-O 3.32Å; C1420-Y1442 HydrophobicContact CB-CD2 4.36Å; C1420-Y1442 HydrophobicContact CB-CE2 4.19Å |
| 1421 | Y | 95 | Very high | 90.6 | Very high | 39 Ų | 39 | 35 Ų | 35 | 15% | 0.153 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 130.9 | 173.6 | -146.4 | -82.1 | 0 | 0 | 0 | 111.6 | M1423 P1433 I1436 D1440 I1441 Y1442 D1475 | Y1421-M1423 HydrophobicContact CD1-CG 3.67Å; Y1421-M1423 HydrophobicContact CE1-CG 4.15Å; Y1421-P1433 HydrophobicContact CD1-CG 4.49Å; Y1421-P1433 HydrophobicContact CD2-CB 4.36Å; Y1421-P1433 HydrophobicContact CD2-CG 4Å; Y1421-P1433 HydrophobicContact CE2-CB 4.42Å; Y1421-P1433 HydrophobicContact CE2-CG 4.44Å; Y1421-P1433 HydrophobicContact CG-CG 4.01Å; Y1421-I1436 HydrophobicContact CD2-CG1 4.22Å; Y1421-D1440 PolarHBondContact N-O 2.69Å; Y1421-I1441 WeakPolarHBondContact O-CA 3.43Å; Y1421-Y1442 PolarHBondContact O-N 3.3Å; Y1421-D1475 VanDerWaalsContact CE2-OD2 3.28Å; Y1421-D1475 WeakPolarHBondContact CE2-OD2 3.33Å; Y1421-D1475 PolarHBondContact OH-OD2 3.4Å |
| 1422 | V | 94.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 105.2 | 175.9 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | F1346 I1360 F1382 V1401 C1444 L1462 | F1346-V1422 HydrophobicContact CB-CG2 4.48Å; F1346-V1422 HydrophobicContact CD1-CB 3.93Å; F1346-V1422 HydrophobicContact CD1-CG2 3.52Å; F1346-V1422 HydrophobicContact CD2-CB 4.43Å; F1346-V1422 HydrophobicContact CD2-CG2 4.46Å; F1346-V1422 HydrophobicContact CE1-CB 3.62Å; F1346-V1422 HydrophobicContact CE1-CG2 3.74Å; F1346-V1422 HydrophobicContact CE2-CB 4.17Å; F1346-V1422 HydrophobicContact CG-CB 4.33Å; F1346-V1422 HydrophobicContact CG-CG2 3.92Å; F1346-V1422 HydrophobicContact CZ-CB 3.76Å; F1346-V1422 HydrophobicContact CZ-CG2 4.3Å; I1360-V1422 HydrophobicContact CG2-CG2 3.92Å; F1382-V1422 HydrophobicContact CD1-CG1 4.17Å; F1382-V1422 HydrophobicContact CE1-CG1 3.99Å; V1401-V1422 HydrophobicContact CG2-CG1 3.73Å; V1401-V1422 HydrophobicContact CG2-CG2 4.33Å; V1422-C1444 HydrophobicContact CG1-CB 3.43Å; V1422-C1444 VanDerWaalsContact CG1-CB 3.43Å; V1422-L1462 HydrophobicContact CG1-CD1 4.28Å |
| 1423 | M | 93.2 | Very high | 90.6 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 6% | 0.059 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 162.7 | 178.1 | -58 | -172 | 85.4 | 0 | 0 | 111.1 | Y1421 D1427 Y1428 I1441 Y1442 M1443 C1444 F1477 | Y1421-M1423 HydrophobicContact CD1-CG 3.67Å; Y1421-M1423 HydrophobicContact CE1-CG 4.15Å; M1423-D1427 HydrophobicContact CE-CB 4.12Å; M1423-Y1428 HydrophobicContact SD-CD2 4.36Å; M1423-I1441 HydrophobicContact CG-CG2 4.17Å; M1423-I1441 HydrophobicContact SD-CG2 4.02Å; M1423-Y1442 PolarHBondContact N-O 2.94Å; M1423-M1443 CarbonylContact O-C 3.46Å; M1423-M1443 VanDerWaalsContact O-CA 3.26Å; M1423-M1443 WeakPolarHBondContact O-CA 3.48Å; M1423-C1444 PolarHBondContact O-N 3.3Å; M1423-F1477 HydrophobicContact CE-CE1 4.22Å |
| 1424 | R | 91.6 | Very high | 90.5 | Very high | 57 Ų | 57 | 32.4 Ų | 32.4 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | trans | -79.8 | 150.8 | 161.5 | -61.2 | 177.4 | -60.3 | 179 | -0.7 | 109.7 | E372 C1426 D1427 Y1428 C1444 L1462 | E372-R1424 IonicContact OE2-CZ 3.19Å; E372-R1424 IonicContact OE2-NH1 3.71Å; E372-R1424 PolarHBondContact OE2-NH1 3.01Å; E372-R1424 IonicContact OE2-NH2 2.85Å; R1424-C1426 PolarHBondContact O-N 3.43Å; R1424-C1426 VanDerWaalsContact O-N 3.09Å; R1424-D1427 IonicContact CZ-OD2 2.71Å; R1424-D1427 IonicContact NE-OD2 3.46Å; R1424-D1427 PolarHBondContact NE-OD2 2.68Å; R1424-D1427 IonicContact NH2-OD1 3.01Å; R1424-D1427 PolarHBondContact NH2-OD1 2.99Å; R1424-D1427 IonicContact NH2-OD2 3.95Å; R1424-D1427 PolarHBondContact NH2-OD2 3.34Å; R1424-D1427 PolarHBondContact O-N 3.26Å; R1424-Y1428 PolarHBondContact O-N 2.9Å; R1424-C1444 WeakPolarHBondContact CA-O 3.45Å; R1424-L1462 HydrophobicContact CG-CD1 3.86Å; R1424-L1462 HydrophobicContact CG-CG 4.1Å | ||
| 1425 | P | 87.8 | Confident | 90.3 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 8% | 0.078 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -53.9 | -33 | 178.2 | -28.3 | 35 | 0 | 0 | 0 | 114.4 | Y1397 D1427 S1429 M1443 D1445 | Y1397-P1425 HydrophobicContact CD2-CB 4.4Å; Y1397-P1425 HydrophobicContact CD2-CG 3.95Å; Y1397-P1425 HydrophobicContact CE2-CB 3.92Å; Y1397-P1425 HydrophobicContact CE2-CG 3.69Å; P1425-D1427 VanDerWaalsContact C-N 3.34Å; P1425-S1429 WeakPolarHBondContact O-CB 3.17Å; P1425-S1429 PolarHBondContact O-N 2.79Å; P1425-S1429 PolarHBondContact O-OG 2.9Å; P1425-M1443 HydrophobicContact CB-SD 4.13Å; P1425-M1443 HydrophobicContact CG-CB 4.33Å; P1425-M1443 HydrophobicContact CG-CG 4.47Å; P1425-M1443 HydrophobicContact CG-SD 4.31Å; P1425-D1445 HydrophobicContact CG-CB 3.98Å |
| 1426 | C | 87.4 | Confident | 90.3 | Very high | 62 Ų | 62 | 30.5 Ų | 30.5 | 42% | 0.419 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67.4 | -31.9 | 175.2 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | R1424 S1429 Q1430 | R1424-C1426 PolarHBondContact O-N 3.43Å; R1424-C1426 VanDerWaalsContact O-N 3.09Å; C1426-S1429 WeakPolarHBondContact O-CB 3.25Å; C1426-Q1430 WeakPolarHBondContact O-CG 3.37Å; C1426-Q1430 PolarHBondContact O-NE2 3.47Å |
| 1427 | D | 89.4 | Confident | 90.2 | Very high | 47 Ų | 47 | 32.5 Ų | 32.5 | 25% | 0.251 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -88.7 | -39.4 | -176.2 | -52.5 | -28.4 | 0 | 0 | 0 | 109.5 | M1423 R1424 P1425 S1429 Q1430 A1431 | M1423-D1427 HydrophobicContact CE-CB 4.12Å; R1424-D1427 IonicContact CZ-OD2 2.71Å; R1424-D1427 IonicContact NE-OD2 3.46Å; R1424-D1427 PolarHBondContact NE-OD2 2.68Å; R1424-D1427 IonicContact NH2-OD1 3.01Å; R1424-D1427 PolarHBondContact NH2-OD1 2.99Å; R1424-D1427 IonicContact NH2-OD2 3.95Å; R1424-D1427 PolarHBondContact NH2-OD2 3.34Å; R1424-D1427 PolarHBondContact O-N 3.26Å; P1425-D1427 VanDerWaalsContact C-N 3.34Å; D1427-S1429 PolarHBondContact O-N 2.81Å; D1427-Q1430 PolarHBondContact O-N 3.36Å; D1427-A1431 PolarHBondContact O-N 2.75Å |
| 1428 | Y | 89.4 | Confident | 90 | Very high | 17 Ų | 17 | 32 Ų | 32 | 7% | 0.067 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57 | -28.7 | 165.8 | -174 | -83.9 | 0 | 0 | 0 | 112.8 | M1423 R1424 Q1430 R1432 E1438 I1441 M1443 P1486 | M1423-Y1428 HydrophobicContact SD-CD2 4.36Å; R1424-Y1428 PolarHBondContact O-N 2.9Å; Y1428-Q1430 VanDerWaalsContact C-N 3.27Å; Y1428-Q1430 PolarHBondContact O-N 2.79Å; Y1428-R1432 VanDerWaalsContact CE2-NH2 3.26Å; Y1428-R1432 PolarHBondContact O-NH1 3.01Å; Y1428-R1432 PolarHBondContact OH-NH2 2.78Å; Y1428-E1438 PolarHBondContact OH-OE1 2.77Å; Y1428-I1441 HydrophobicContact CD2-CG2 3.89Å; Y1428-I1441 HydrophobicContact CE2-CG2 3.89Å; Y1428-M1443 HydrophobicContact CD1-CE 3.82Å; Y1428-M1443 HydrophobicContact CD1-CG 4.2Å; Y1428-M1443 HydrophobicContact CD1-SD 3.49Å; Y1428-M1443 WeakPolarHBondContact CD1-SD 3.41Å; Y1428-M1443 HydrophobicContact CD2-CE 4.3Å; Y1428-M1443 HydrophobicContact CD2-CG 3.74Å; Y1428-M1443 HydrophobicContact CD2-SD 4.13Å; Y1428-M1443 HydrophobicContact CE1-CE 3.62Å; Y1428-M1443 HydrophobicContact CE1-SD 3.97Å; Y1428-M1443 HydrophobicContact CE2-CE 4.1Å; Y1428-M1443 HydrophobicContact CE2-CG 4.32Å; Y1428-M1443 HydrophobicContact CG-CE 4.16Å; Y1428-M1443 HydrophobicContact CG-CG 3.66Å; Y1428-M1443 HydrophobicContact CG-SD 3.58Å; Y1428-M1443 VanDerWaalsContact CG-SD 3.58Å; Y1428-P1486 HydrophobicContact CD1-CB 4.34Å; Y1428-P1486 HydrophobicContact CD1-CG 4.08Å; Y1428-P1486 HydrophobicContact CE1-CB 4.07Å; Y1428-P1486 HydrophobicContact CE1-CG 4.32Å |
| 1429 | S | 87.1 | Confident | 89.9 | Confident | 9 Ų | 9 | 37.4 Ų | 37.4 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -19.4 | 173.5 | -63.5 | 0 | 0 | 0 | 0 | 113.4 | P1425 C1426 D1427 Q1483 I1484 | P1425-S1429 WeakPolarHBondContact O-CB 3.17Å; P1425-S1429 PolarHBondContact O-N 2.79Å; P1425-S1429 PolarHBondContact O-OG 2.9Å; C1426-S1429 WeakPolarHBondContact O-CB 3.25Å; D1427-S1429 PolarHBondContact O-N 2.81Å; S1429-Q1483 CarbonylContact O-C 3.5Å; S1429-Q1483 WeakPolarHBondContact O-CA 3.35Å; S1429-Q1483 WeakPolarHBondContact O-CG 3.26Å; S1429-I1484 VanDerWaalsContact CB-O 3.23Å; S1429-I1484 WeakPolarHBondContact CB-O 3.45Å; S1429-I1484 PolarHBondContact O-N 2.84Å; S1429-I1484 PolarHBondContact OG-O 2.92Å |
| 1430 | Q | 86.3 | Confident | 89.9 | Confident | 90 Ų | 90 | 36.6 Ų | 36.6 | 42% | 0.421 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -35.1 | -168.4 | -71.4 | 174.6 | 97.6 | 0 | 0 | 113.9 | C1426 D1427 Y1428 F1479 F1480 Q1483 | C1426-Q1430 WeakPolarHBondContact O-CG 3.37Å; C1426-Q1430 PolarHBondContact O-NE2 3.47Å; D1427-Q1430 PolarHBondContact O-N 3.36Å; Y1428-Q1430 VanDerWaalsContact C-N 3.27Å; Y1428-Q1430 PolarHBondContact O-N 2.79Å; Q1430-F1479 WeakPolarHBondContact O-CA 3.39Å; Q1430-F1480 WeakPolarHBondContact O-CD2 3.38Å; Q1430-F1480 PolarHBondContact O-N 3.14Å; Q1430-Q1483 HydrophobicContact CG-CG 4.39Å |
| 1431 | A | 90.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.033 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 176.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1427 F1477 Y1478 F1479 | D1427-A1431 PolarHBondContact O-N 2.75Å; A1431-F1477 HydrophobicContact CB-CD1 4.27Å; A1431-Y1478 CarbonylContact C-O 3.59Å; A1431-Y1478 WeakPolarHBondContact CA-O 3.19Å; A1431-Y1478 WeakPolarHBondContact CB-O 3.25Å; A1431-F1479 HydrophobicContact CB-CD1 3.77Å; A1431-F1479 HydrophobicContact CB-CD2 4.1Å; A1431-F1479 HydrophobicContact CB-CE1 3.88Å; A1431-F1479 HydrophobicContact CB-CE2 4.19Å; A1431-F1479 HydrophobicContact CB-CG 3.87Å; A1431-F1479 HydrophobicContact CB-CZ 4.08Å |
| 1432 | R | 91.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 142 | 169.7 | -69.1 | -72.2 | -179.6 | -81.7 | -2.3 | 111.2 | V908 Y1428 E1438 I1441 F1477 Y1478 F1480 | V908-R1432 HydrophobicContact CG2-CB 4.05Å; V908-R1432 HydrophobicContact CG2-CG 3.98Å; Y1428-R1432 VanDerWaalsContact CE2-NH2 3.26Å; Y1428-R1432 PolarHBondContact O-NH1 3.01Å; Y1428-R1432 PolarHBondContact OH-NH2 2.78Å; R1432-E1438 WeakPolarHBondContact CD-OE2 3.39Å; R1432-E1438 IonicContact CZ-OE1 3.33Å; R1432-E1438 IonicContact CZ-OE2 3.63Å; R1432-E1438 VanDerWaalsContact NE-CD 3.33Å; R1432-E1438 IonicContact NE-OE1 2.66Å; R1432-E1438 PolarHBondContact NE-OE1 2.91Å; R1432-E1438 IonicContact NE-OE2 3.39Å; R1432-E1438 PolarHBondContact NE-OE2 2.65Å; R1432-E1438 IonicContact NH2-OE1 3.36Å; R1432-E1438 PolarHBondContact NH2-OE1 2.86Å; R1432-E1438 IonicContact NH2-OE2 2.76Å; R1432-I1441 VanDerWaalsContact CD-CD1 3.46Å; R1432-F1477 CarbonylContact O-C 3.3Å; R1432-F1477 VanDerWaalsContact O-CA 3.27Å; R1432-F1477 WeakPolarHBondContact O-CA 3.09Å; R1432-Y1478 PolarHBondContact N-O 2.93Å; R1432-Y1478 PolarHBondContact O-N 2.98Å; R1432-F1480 HydrophobicContact CG-CE1 4.1Å; R1432-F1480 HydrophobicContact CG-CE2 4.24Å; R1432-F1480 HydrophobicContact CG-CZ 3.44Å; R1432-F1480 VanDerWaalsContact CG-CZ 3.44Å |
| 1433 | P | 91 | Very high | 89.8 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.032 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 144.4 | 159.4 | 30.2 | -35.5 | 0 | 0 | 0 | 109.5 | Y1421 I1436 I1441 E1476 F1477 | Y1421-P1433 HydrophobicContact CD1-CG 4.49Å; Y1421-P1433 HydrophobicContact CD2-CB 4.36Å; Y1421-P1433 HydrophobicContact CD2-CG 4Å; Y1421-P1433 HydrophobicContact CE2-CB 4.42Å; Y1421-P1433 HydrophobicContact CE2-CG 4.44Å; Y1421-P1433 HydrophobicContact CG-CG 4.01Å; P1433-I1436 HydrophobicContact CB-CG1 4.39Å; P1433-I1436 HydrophobicContact CG-CB 4.03Å; P1433-I1436 HydrophobicContact CG-CG1 4.1Å; P1433-I1441 HydrophobicContact CG-CD1 4Å; P1433-E1476 CarbonylContact C-O 3.52Å; P1433-E1476 WeakPolarHBondContact CA-O 3.33Å; P1433-F1477 HydrophobicContact CB-CE1 4.19Å |
| 1434 | T | 88.9 | Confident | 89.9 | Confident | 17 Ų | 17 | 35.8 Ų | 35.8 | 10% | 0.104 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -84.5 | -25.3 | -176.4 | 56.5 | 0 | 0 | 0 | 0 | 114.2 | V908 L912 H969 L1052 E1476 | V908-T1434 HydrophobicContact CG1-CG2 4.41Å; L912-T1434 HydrophobicContact CD2-CG2 3.65Å; H969-T1434 PolarHBondContact O-OG1 3.04Å; L1052-T1434 HydrophobicContact CD1-CG2 3.92Å; T1434-E1476 HydrophobicContact CG2-CG 3.96Å; T1434-E1476 PolarHBondContact N-O 2.97Å; T1434-E1476 WeakPolarHBondContact OG1-CB 3.28Å; T1434-E1476 PolarHBondContact OG1-O 3.06Å |
| 1435 | E | 85.3 | Confident | 89.9 | Confident | 84 Ų | 84 | 34.9 Ų | 34.9 | 39% | 0.393 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -78.6 | -20.9 | 179.4 | -65 | -178.3 | 176 | 0 | 0 | 114.1 | R970 | R970-E1435 WeakPolarHBondContact CD-OE1 3.41Å; R970-E1435 HydrophobicContact CG-CG 4.34Å; R970-E1435 IonicContact CZ-OE1 3.94Å; R970-E1435 IonicContact NE-OE1 3.23Å; R970-E1435 IonicContact NH1-OE1 2.72Å; R970-E1435 PolarHBondContact NH1-OE1 3.26Å |
| 1436 | I | 89.7 | Confident | 90.1 | Very high | 20 Ų | 20 | 34.4 Ų | 34.4 | 10% | 0.103 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -104.1 | 124.7 | -175.4 | -48.5 | -61.4 | 0 | 0 | 0 | 109.6 | K1419 Y1421 P1433 D1440 I1441 | K1419-I1436 HydrophobicContact CB-CD1 3.86Å; K1419-I1436 HydrophobicContact CD-CD1 4.37Å; Y1421-I1436 HydrophobicContact CD2-CG1 4.22Å; P1433-I1436 HydrophobicContact CB-CG1 4.39Å; P1433-I1436 HydrophobicContact CG-CB 4.03Å; P1433-I1436 HydrophobicContact CG-CG1 4.1Å; I1436-D1440 HydrophobicContact CG2-CB 4.05Å; I1436-I1441 HydrophobicContact CB-CD1 4.31Å; I1436-I1441 HydrophobicContact CB-CG1 4.2Å; I1436-I1441 HydrophobicContact CG2-CD1 4.29Å; I1436-I1441 HydrophobicContact CG2-CG1 3.68Å |
| 1437 | P | 88.6 | Confident | 90.4 | Very high | 64 Ų | 64 | 34.2 Ų | 34.2 | 42% | 0.416 | 17% | 0.17 | S | C | . | . | trans | -70.3 | 150 | 179.4 | 30.4 | -36.5 | 0 | 0 | 0 | 111.7 | Q1439 D1440 | P1437-Q1439 HydrophobicContact CB-CG 4.24Å; P1437-Q1439 HydrophobicContact CG-CG 4.05Å; P1437-Q1439 PolarHBondContact O-N 3.29Å; P1437-D1440 HydrophobicContact CG-CB 4.24Å; P1437-D1440 VanDerWaalsContact CG-OD2 3.29Å; P1437-D1440 WeakPolarHBondContact CG-OD2 3.44Å; P1437-D1440 PolarHBondContact O-N 2.85Å | ||
| 1438 | E | 86.4 | Confident | 90.6 | Very high | 66 Ų | 66 | 32.4 Ų | 32.4 | 31% | 0.308 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -50.2 | -31.2 | -178.4 | -170.9 | 68.3 | -159.9 | 0 | 0 | 113.4 | K1399 Y1428 R1432 D1440 | K1399-E1438 PolarHBondContact NZ-O 3.42Å; Y1428-E1438 PolarHBondContact OH-OE1 2.77Å; R1432-E1438 WeakPolarHBondContact CD-OE2 3.39Å; R1432-E1438 IonicContact CZ-OE1 3.33Å; R1432-E1438 IonicContact CZ-OE2 3.63Å; R1432-E1438 VanDerWaalsContact NE-CD 3.33Å; R1432-E1438 IonicContact NE-OE1 2.66Å; R1432-E1438 PolarHBondContact NE-OE1 2.91Å; R1432-E1438 IonicContact NE-OE2 3.39Å; R1432-E1438 PolarHBondContact NE-OE2 2.65Å; R1432-E1438 IonicContact NH2-OE1 3.36Å; R1432-E1438 PolarHBondContact NH2-OE1 2.86Å; R1432-E1438 IonicContact NH2-OE2 2.76Å; E1438-D1440 VanDerWaalsContact C-N 3.32Å; E1438-D1440 PolarHBondContact O-N 2.83Å |
| 1439 | Q | 88.5 | Confident | 90.5 | Very high | 136 Ų | 136 | 34.4 Ų | 34.4 | 64% | 0.636 | 17% | 0.169 | S | C | * | . | G | 310 helix | trans | -64.6 | -31.5 | 178.7 | 78.2 | -166.5 | 13.3 | 0 | 0 | 113.1 | K1399 P1437 | K1399-Q1439 VanDerWaalsContact NZ-CA 3.29Å; K1399-Q1439 PolarHBondContact NZ-O 3.43Å; P1437-Q1439 HydrophobicContact CB-CG 4.24Å; P1437-Q1439 HydrophobicContact CG-CG 4.05Å; P1437-Q1439 PolarHBondContact O-N 3.29Å |
| 1440 | D | 92.9 | Very high | 90.4 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 11% | 0.107 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -103.9 | 17.5 | -174.2 | -62.8 | -60.7 | 0 | 0 | 0 | 112.7 | Y1348 C1420 Y1421 I1436 P1437 E1438 | Y1348-D1440 HydrophobicContact CE2-CB 4.25Å; Y1348-D1440 WeakPolarHBondContact CE2-OD1 3.45Å; Y1348-D1440 VanDerWaalsContact CZ-OD1 3.3Å; Y1348-D1440 PolarHBondContact OH-OD1 3.37Å; C1420-D1440 CarbonylContact C-O 3.49Å; C1420-D1440 VanDerWaalsContact CA-O 3.25Å; C1420-D1440 WeakPolarHBondContact CA-O 3.4Å; C1420-D1440 HydrophobicContact CB-CB 4.4Å; C1420-D1440 WeakPolarHBondContact CB-O 3.32Å; Y1421-D1440 PolarHBondContact N-O 2.69Å; I1436-D1440 HydrophobicContact CG2-CB 4.05Å; P1437-D1440 HydrophobicContact CG-CB 4.24Å; P1437-D1440 VanDerWaalsContact CG-OD2 3.29Å; P1437-D1440 WeakPolarHBondContact CG-OD2 3.44Å; P1437-D1440 PolarHBondContact O-N 2.85Å; E1438-D1440 VanDerWaalsContact C-N 3.32Å; E1438-D1440 PolarHBondContact O-N 2.83Å |
| 1441 | I | 93.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 131.9 | 176.2 | -60.7 | 173.7 | 0 | 0 | 0 | 110.4 | K1399 Y1421 M1423 Y1428 R1432 P1433 I1436 | K1399-I1441 WeakPolarHBondContact CD-O 3.36Å; Y1421-I1441 WeakPolarHBondContact O-CA 3.43Å; M1423-I1441 HydrophobicContact CG-CG2 4.17Å; M1423-I1441 HydrophobicContact SD-CG2 4.02Å; Y1428-I1441 HydrophobicContact CD2-CG2 3.89Å; Y1428-I1441 HydrophobicContact CE2-CG2 3.89Å; R1432-I1441 VanDerWaalsContact CD-CD1 3.46Å; P1433-I1441 HydrophobicContact CG-CD1 4Å; I1436-I1441 HydrophobicContact CB-CD1 4.31Å; I1436-I1441 HydrophobicContact CB-CG1 4.2Å; I1436-I1441 HydrophobicContact CG2-CD1 4.29Å; I1436-I1441 HydrophobicContact CG2-CG1 3.68Å |
| 1442 | Y | 94.6 | Very high | 90.1 | Very high | 38 Ų | 38 | 47.3 Ų | 47.3 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 167.1 | -172.3 | -66.4 | -97.1 | 0 | 0 | 0 | 111.8 | Y1348 I1360 K1399 V1401 C1420 Y1421 M1423 | Y1348-Y1442 HydrophobicContact CE1-CE2 4.07Å; Y1348-Y1442 WeakPolarHBondContact OH-CE2 3.45Å; Y1348-Y1442 PolarHBondContact OH-OH 3Å; Y1348-Y1442 VanDerWaalsContact OH-OH 3.05Å; I1360-Y1442 HydrophobicContact CD1-CD1 3.89Å; I1360-Y1442 HydrophobicContact CD1-CD2 3.73Å; I1360-Y1442 HydrophobicContact CD1-CE1 3.79Å; I1360-Y1442 HydrophobicContact CD1-CE2 3.62Å; I1360-Y1442 HydrophobicContact CD1-CG 3.88Å; K1399-Y1442 HydrophobicContact CB-CD1 3.66Å; K1399-Y1442 HydrophobicContact CB-CE1 4.13Å; K1399-Y1442 HydrophobicContact CB-CG 4.33Å; K1399-Y1442 HydrophobicContact CG-CD1 4.48Å; V1401-Y1442 HydrophobicContact CG1-CD1 3.56Å; V1401-Y1442 HydrophobicContact CG1-CE1 4.26Å; V1401-Y1442 HydrophobicContact CG1-CG 4.27Å; C1420-Y1442 HydrophobicContact CB-CD2 4.36Å; C1420-Y1442 HydrophobicContact CB-CE2 4.19Å; Y1421-Y1442 PolarHBondContact O-N 3.3Å; M1423-Y1442 PolarHBondContact N-O 2.94Å |
| 1443 | M | 93.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131.5 | 177.4 | -81.8 | 178.5 | -80.2 | 0 | 0 | 113 | Y1397 P1398 K1399 E1400 V1401 M1423 P1425 Y1428 P1486 | Y1397-M1443 HydrophobicContact CG-CE 4.42Å; Y1397-M1443 HydrophobicContact CG-SD 4.29Å; P1398-M1443 WeakPolarHBondContact O-CE 3.21Å; K1399-M1443 PolarHBondContact O-N 3.39Å; E1400-M1443 CarbonylContact C-O 3.57Å; E1400-M1443 WeakPolarHBondContact CA-O 3.38Å; V1401-M1443 PolarHBondContact N-O 2.81Å; M1423-M1443 CarbonylContact O-C 3.46Å; M1423-M1443 VanDerWaalsContact O-CA 3.26Å; M1423-M1443 WeakPolarHBondContact O-CA 3.48Å; P1425-M1443 HydrophobicContact CB-SD 4.13Å; P1425-M1443 HydrophobicContact CG-CB 4.33Å; P1425-M1443 HydrophobicContact CG-CG 4.47Å; P1425-M1443 HydrophobicContact CG-SD 4.31Å; Y1428-M1443 HydrophobicContact CD1-CE 3.82Å; Y1428-M1443 HydrophobicContact CD1-CG 4.2Å; Y1428-M1443 HydrophobicContact CD1-SD 3.49Å; Y1428-M1443 WeakPolarHBondContact CD1-SD 3.41Å; Y1428-M1443 HydrophobicContact CD2-CE 4.3Å; Y1428-M1443 HydrophobicContact CD2-CG 3.74Å; Y1428-M1443 HydrophobicContact CD2-SD 4.13Å; Y1428-M1443 HydrophobicContact CE1-CE 3.62Å; Y1428-M1443 HydrophobicContact CE1-SD 3.97Å; Y1428-M1443 HydrophobicContact CE2-CE 4.1Å; Y1428-M1443 HydrophobicContact CE2-CG 4.32Å; Y1428-M1443 HydrophobicContact CG-CE 4.16Å; Y1428-M1443 HydrophobicContact CG-CG 3.66Å; Y1428-M1443 HydrophobicContact CG-SD 3.58Å; Y1428-M1443 VanDerWaalsContact CG-SD 3.58Å; M1443-P1486 HydrophobicContact CE-CB 4.02Å; M1443-P1486 HydrophobicContact CE-CG 4.35Å; M1443-P1486 HydrophobicContact SD-CB 4.3Å; M1443-P1486 HydrophobicContact SD-CG 3.96Å |
| 1444 | C | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -130.9 | 129.4 | 170.9 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | F1382 V1401 V1422 M1423 R1424 S1446 L1462 | F1382-C1444 HydrophobicContact CD1-CB 4.31Å; F1382-C1444 HydrophobicContact CE1-CB 4.04Å; V1401-C1444 HydrophobicContact CG2-CB 4.14Å; V1401-C1444 WeakPolarHBondContact O-CA 3.36Å; V1401-C1444 WeakPolarHBondContact O-CB 3.45Å; V1401-C1444 PolarHBondContact O-SG 2.85Å; V1401-C1444 VanDerWaalsContact O-SG 3.39Å; V1422-C1444 HydrophobicContact CG1-CB 3.43Å; V1422-C1444 VanDerWaalsContact CG1-CB 3.43Å; M1423-C1444 PolarHBondContact O-N 3.3Å; R1424-C1444 WeakPolarHBondContact CA-O 3.45Å; C1444-S1446 PolarHBondContact SG-O 3.5Å; C1444-S1446 VanDerWaalsContact SG-O 3.37Å; C1444-L1462 HydrophobicContact CB-CD1 4.2Å; C1444-L1462 HydrophobicContact CB-CD2 4.18Å | ||
| 1445 | D | 91.6 | Very high | 89.6 | Confident | 38 Ų | 38 | 55.8 Ų | 55.8 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | trans | -125.5 | -13.2 | 176.2 | 151.6 | -76.2 | 0 | 0 | 0 | 111.9 | P1425 K1457 L1458 | P1425-D1445 HydrophobicContact CG-CB 3.98Å; D1445-K1457 IonicContact OD1-NZ 3.5Å; D1445-K1457 PolarHBondContact OD1-NZ 3.16Å; D1445-K1457 IonicContact OD2-NZ 2.74Å; D1445-K1457 PolarHBondContact OD2-NZ 2.98Å; D1445-L1458 WeakPolarHBondContact O-CB 3.36Å; D1445-L1458 PolarHBondContact O-N 2.87Å | ||
| 1446 | S | 93.5 | Very high | 89.9 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 150.2 | -163.9 | -76 | 0 | 0 | 0 | 0 | 112.5 | F1402 L1403 C1444 I1455 R1456 K1457 | F1402-S1446 WeakPolarHBondContact CA-O 3.3Å; L1403-S1446 PolarHBondContact N-O 3.43Å; C1444-S1446 PolarHBondContact SG-O 3.5Å; C1444-S1446 VanDerWaalsContact SG-O 3.37Å; S1446-I1455 VanDerWaalsContact CB-CG2 3.49Å; S1446-R1456 CarbonylContact C-O 3.48Å; S1446-R1456 WeakPolarHBondContact CA-O 3.33Å; S1446-R1456 VanDerWaalsContact CB-O 3.25Å; S1446-R1456 WeakPolarHBondContact CB-O 3.33Å; S1446-R1456 PolarHBondContact OG-O 3.31Å; S1446-K1457 WeakPolarHBondContact OG-CA 3.27Å |
| 1447 | K | 92.7 | Very high | 89.9 | Confident | 58 Ų | 58 | 60 Ų | 60 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 135.7 | 171.5 | -167.4 | -179.4 | 177.6 | 83.9 | 0 | 109.3 | L1403 T1404 F1449 R1456 L1458 | L1403-K1447 HydrophobicContact CB-CB 4.33Å; L1403-K1447 HydrophobicContact CB-CG 4.15Å; L1403-K1447 HydrophobicContact CD2-CD 4.22Å; L1403-K1447 HydrophobicContact CD2-CG 4.16Å; L1403-K1447 HydrophobicContact CG-CG 4.18Å; L1403-K1447 CarbonylContact O-C 3.47Å; L1403-K1447 WeakPolarHBondContact O-CA 3.46Å; L1403-K1447 WeakPolarHBondContact O-CG 3.45Å; T1404-K1447 VanDerWaalsContact O-CE 3.27Å; T1404-K1447 WeakPolarHBondContact O-CE 3.32Å; T1404-K1447 PolarHBondContact O-NZ 3.27Å; K1447-F1449 HydrophobicContact CB-CE2 3.97Å; K1447-F1449 HydrophobicContact CD-CE2 4.11Å; K1447-F1449 HydrophobicContact CD-CZ 3.9Å; K1447-F1449 HydrophobicContact CG-CE2 4.12Å; K1447-F1449 HydrophobicContact CG-CZ 4.41Å; K1447-R1456 PolarHBondContact N-O 3.41Å; K1447-R1456 PolarHBondContact O-N 2.85Å; K1447-L1458 HydrophobicContact CB-CD2 3.92Å |
| 1448 | Y | 92.6 | Very high | 89.8 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 128.2 | 171.4 | -179.8 | -129.1 | 0 | 0 | 0 | 110.3 | V1383 V1388 D1389 L1403 G1405 E1450 I1455 | V1383-Y1448 HydrophobicContact CG2-CD1 4.23Å; V1388-Y1448 HydrophobicContact CG1-CD1 4.27Å; V1388-Y1448 HydrophobicContact CG1-CD2 3.58Å; V1388-Y1448 HydrophobicContact CG1-CE1 4.25Å; V1388-Y1448 HydrophobicContact CG1-CE2 3.58Å; V1388-Y1448 HydrophobicContact CG1-CG 3.94Å; V1388-Y1448 HydrophobicContact CG2-CD1 3.98Å; V1388-Y1448 HydrophobicContact CG2-CE1 4.28Å; V1388-Y1448 HydrophobicContact CG2-CG 4.14Å; D1389-Y1448 PolarHBondContact N-OH 3.39Å; D1389-Y1448 PolarHBondContact OD2-OH 3.37Å; L1403-Y1448 PolarHBondContact O-N 3.19Å; G1405-Y1448 PolarHBondContact N-O 2.9Å; Y1448-E1450 HydrophobicContact CD1-CB 4.22Å; Y1448-E1450 HydrophobicContact CE1-CB 3.85Å; Y1448-E1450 HydrophobicContact CE1-CG 4.13Å; Y1448-I1455 HydrophobicContact CD2-CG1 3.86Å |
| 1449 | F | 88.9 | Confident | 89.6 | Confident | 59 Ų | 59 | 62.5 Ų | 62.5 | 26% | 0.259 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 86.9 | 175.5 | -68 | -101.3 | 0 | 0 | 0 | 108.1 | K1447 T1451 E1452 K1453 V1454 R1456 | K1447-F1449 HydrophobicContact CB-CE2 3.97Å; K1447-F1449 HydrophobicContact CD-CE2 4.11Å; K1447-F1449 HydrophobicContact CD-CZ 3.9Å; K1447-F1449 HydrophobicContact CG-CE2 4.12Å; K1447-F1449 HydrophobicContact CG-CZ 4.41Å; F1449-T1451 VanDerWaalsContact C-N 3.32Å; F1449-T1451 PolarHBondContact O-N 2.85Å; F1449-E1452 HydrophobicContact CB-CB 4.15Å; F1449-E1452 HydrophobicContact CB-CG 4.48Å; F1449-E1452 CarbonylContact O-C 3.57Å; F1449-E1452 WeakPolarHBondContact O-CA 3.36Å; F1449-E1452 PolarHBondContact O-N 3Å; F1449-K1453 PolarHBondContact O-N 2.92Å; F1449-V1454 WeakPolarHBondContact CB-O 3.27Å; F1449-V1454 PolarHBondContact N-O 2.94Å; F1449-V1454 PolarHBondContact O-N 3.44Å; F1449-R1456 HydrophobicContact CD2-CB 4.29Å; F1449-R1456 HydrophobicContact CD2-CG 3.92Å; F1449-R1456 HydrophobicContact CE2-CB 3.9Å; F1449-R1456 HydrophobicContact CE2-CG 3.88Å; F1449-R1456 VanDerWaalsContact CG-NH1 3.32Å |
| 1450 | E | 84.6 | Confident | 89.2 | Confident | 128 Ų | 128 | 62.4 Ų | 62.4 | 60% | 0.598 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -54 | -44 | -175.3 | -174.5 | 177 | -175.9 | 0 | 0 | 113 | Y1448 E1452 K1453 | Y1448-E1450 HydrophobicContact CD1-CB 4.22Å; Y1448-E1450 HydrophobicContact CE1-CB 3.85Å; Y1448-E1450 HydrophobicContact CE1-CG 4.13Å; E1450-E1452 PolarHBondContact O-N 3.14Å; E1450-K1453 PolarHBondContact O-N 3.44Å; E1450-K1453 VanDerWaalsContact O-N 3.08Å |
| 1451 | T | 84.1 | Confident | 88.7 | Confident | 144 Ų | 144 | 62 Ų | 62 | 88% | 0.883 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -66.4 | -14.5 | 176.7 | 50.9 | 0 | 0 | 0 | 0 | 114.6 | F1449 | F1449-T1451 VanDerWaalsContact C-N 3.32Å; F1449-T1451 PolarHBondContact O-N 2.85Å |
| 1452 | E | 85.4 | Confident | 88.3 | Confident | 102 Ų | 102 | 62.9 Ų | 62.9 | 48% | 0.477 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -108.5 | -10.8 | 172.3 | -64.3 | -170.3 | -113.1 | 0 | 0 | 112.8 | F1449 E1450 V1454 R1456 | F1449-E1452 HydrophobicContact CB-CB 4.15Å; F1449-E1452 HydrophobicContact CB-CG 4.48Å; F1449-E1452 CarbonylContact O-C 3.57Å; F1449-E1452 WeakPolarHBondContact O-CA 3.36Å; F1449-E1452 PolarHBondContact O-N 3Å; E1450-E1452 PolarHBondContact O-N 3.14Å; E1452-V1454 HydrophobicContact CB-CB 4.25Å; E1452-V1454 HydrophobicContact CB-CG2 4.21Å; E1452-V1454 WeakPolarHBondContact O-CG2 3.24Å; E1452-V1454 PolarHBondContact O-N 3.01Å; E1452-R1456 IonicContact OE1-CZ 2.68Å; E1452-R1456 IonicContact OE1-NH1 3.96Å; E1452-R1456 PolarHBondContact OE1-NH1 3.16Å; E1452-R1456 IonicContact OE1-NH2 3.77Å; E1452-R1456 PolarHBondContact OE1-NH2 3.04Å; E1452-R1456 IonicContact OE2-CZ 2.77Å; E1452-R1456 IonicContact OE2-NH1 3.52Å; E1452-R1456 IonicContact OE2-NH2 2.79Å; E1452-R1456 PolarHBondContact OE2-NH2 3.06Å |
| 1453 | K | 86.4 | Confident | 87.9 | Confident | 123 Ų | 123 | 61.9 Ų | 61.9 | 54% | 0.535 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 37.8 | -164.6 | -63.8 | -177.9 | 174.9 | -108.6 | 0 | 113.5 | D1389 F1449 E1450 | D1389-K1453 HydrophobicContact CB-CB 4.08Å; D1389-K1453 HydrophobicContact CB-CD 4.1Å; D1389-K1453 HydrophobicContact CB-CG 4.17Å; D1389-K1453 IonicContact OD1-NZ 3.04Å; D1389-K1453 PolarHBondContact OD1-NZ 2.62Å; D1389-K1453 WeakPolarHBondContact OD2-CD 3.16Å; D1389-K1453 WeakPolarHBondContact OD2-CE 3.37Å; D1389-K1453 IonicContact OD2-NZ 2.67Å; D1389-K1453 PolarHBondContact OD2-NZ 3.11Å; F1449-K1453 PolarHBondContact O-N 2.92Å; E1450-K1453 PolarHBondContact O-N 3.44Å; E1450-K1453 VanDerWaalsContact O-N 3.08Å |
| 1454 | V | 85.7 | Confident | 87.4 | Confident | 59 Ų | 59 | 67.1 Ų | 67.1 | 36% | 0.358 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.1 | -178.3 | 176 | 0 | 0 | 0 | 0 | 112.2 | F1449 E1452 R1456 | F1449-V1454 WeakPolarHBondContact CB-O 3.27Å; F1449-V1454 PolarHBondContact N-O 2.94Å; F1449-V1454 PolarHBondContact O-N 3.44Å; E1452-V1454 HydrophobicContact CB-CB 4.25Å; E1452-V1454 HydrophobicContact CB-CG2 4.21Å; E1452-V1454 WeakPolarHBondContact O-CG2 3.24Å; E1452-V1454 PolarHBondContact O-N 3.01Å; V1454-R1456 HydrophobicContact CG1-CG 3.81Å |
| 1455 | I | 89.6 | Confident | 86.8 | Confident | 20 Ų | 20 | 68.7 Ų | 68.7 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 124.3 | 166 | -55.7 | 161.7 | 0 | 0 | 0 | 109.3 | V1388 R1394 F1396 F1402 S1446 Y1448 | V1388-I1455 HydrophobicContact CG1-CD1 3.64Å; V1388-I1455 HydrophobicContact CG1-CG1 3.72Å; R1394-I1455 VanDerWaalsContact CZ-CD1 3.41Å; F1396-I1455 HydrophobicContact CE1-CD1 4.34Å; F1402-I1455 HydrophobicContact CD1-CG2 3.63Å; F1402-I1455 HydrophobicContact CE1-CD1 4.39Å; F1402-I1455 HydrophobicContact CE1-CG2 3.63Å; F1402-I1455 HydrophobicContact CE2-CD1 4.46Å; F1402-I1455 HydrophobicContact CG-CG2 4.5Å; F1402-I1455 HydrophobicContact CZ-CD1 4.25Å; S1446-I1455 VanDerWaalsContact CB-CG2 3.49Å; Y1448-I1455 HydrophobicContact CD2-CG1 3.86Å |
| 1456 | R | 90.1 | Very high | 86.1 | Confident | 97 Ų | 97 | 75.8 Ų | 75.8 | 37% | 0.366 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 143.1 | 175 | -55.5 | -177.2 | 172.1 | 118.1 | -4 | 111.5 | S1446 K1447 F1449 E1452 V1454 | S1446-R1456 CarbonylContact C-O 3.48Å; S1446-R1456 WeakPolarHBondContact CA-O 3.33Å; S1446-R1456 VanDerWaalsContact CB-O 3.25Å; S1446-R1456 WeakPolarHBondContact CB-O 3.33Å; S1446-R1456 PolarHBondContact OG-O 3.31Å; K1447-R1456 PolarHBondContact N-O 3.41Å; K1447-R1456 PolarHBondContact O-N 2.85Å; F1449-R1456 HydrophobicContact CD2-CB 4.29Å; F1449-R1456 HydrophobicContact CD2-CG 3.92Å; F1449-R1456 HydrophobicContact CE2-CB 3.9Å; F1449-R1456 HydrophobicContact CE2-CG 3.88Å; F1449-R1456 VanDerWaalsContact CG-NH1 3.32Å; E1452-R1456 IonicContact OE1-CZ 2.68Å; E1452-R1456 IonicContact OE1-NH1 3.96Å; E1452-R1456 PolarHBondContact OE1-NH1 3.16Å; E1452-R1456 IonicContact OE1-NH2 3.77Å; E1452-R1456 PolarHBondContact OE1-NH2 3.04Å; E1452-R1456 IonicContact OE2-CZ 2.77Å; E1452-R1456 IonicContact OE2-NH1 3.52Å; E1452-R1456 IonicContact OE2-NH2 2.79Å; E1452-R1456 PolarHBondContact OE2-NH2 3.06Å; V1454-R1456 HydrophobicContact CG1-CG 3.81Å |
| 1457 | K | 89.9 | Confident | 85.5 | Confident | 96 Ų | 96 | 78.9 Ų | 78.9 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 143.3 | 173.5 | -69.3 | -162.4 | 170.5 | -69.6 | 0 | 112.6 | F375 D1445 S1446 K1459 | F375-K1457 HydrophobicContact CD2-CB 4.24Å; F375-K1457 HydrophobicContact CD2-CD 3.75Å; F375-K1457 HydrophobicContact CE1-CD 4.22Å; F375-K1457 HydrophobicContact CE2-CD 3.29Å; F375-K1457 HydrophobicContact CG-CD 4.39Å; F375-K1457 HydrophobicContact CZ-CD 3.56Å; D1445-K1457 IonicContact OD1-NZ 3.5Å; D1445-K1457 PolarHBondContact OD1-NZ 3.16Å; D1445-K1457 IonicContact OD2-NZ 2.74Å; D1445-K1457 PolarHBondContact OD2-NZ 2.98Å; S1446-K1457 WeakPolarHBondContact OG-CA 3.27Å; K1457-K1459 PolarHBondContact O-N 3.44Å |
| 1458 | L | 87.2 | Confident | 84.7 | Confident | 26 Ų | 26 | 80.9 Ų | 80.9 | 14% | 0.136 | 39% | 0.387 | C | S | . | . | trans | -71.3 | 94 | 176 | -72.1 | 164.4 | 0 | 0 | 0 | 110.2 | L1403 D1445 K1447 K1460 G1461 L1462 | L1403-L1458 HydrophobicContact CD2-CD2 3.92Å; D1445-L1458 WeakPolarHBondContact O-CB 3.36Å; D1445-L1458 PolarHBondContact O-N 2.87Å; K1447-L1458 HydrophobicContact CB-CD2 3.92Å; L1458-K1460 PolarHBondContact O-N 2.81Å; L1458-G1461 WeakPolarHBondContact CD1-O 3.31Å; L1458-G1461 PolarHBondContact O-N 3.34Å; L1458-L1462 HydrophobicContact CD1-CD2 3.79Å; L1458-L1462 HydrophobicContact CD1-CG 4.36Å | ||
| 1459 | K | 81.8 | Confident | 83.7 | Confident | 155 Ų | 155 | 82.1 Ų | 82.1 | 67% | 0.674 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -7.6 | 166.5 | -88.8 | -166.1 | 176.1 | -170.9 | 0 | 115.5 | A373 A374 K1457 | A373-K1459 VanDerWaalsContact C-C 3.41Å; A373-K1459 CarbonylContact C-O 3.58Å; A373-K1459 WeakPolarHBondContact CA-O 3.39Å; A373-K1459 CarbonylContact O-C 3.52Å; A374-K1459 PolarHBondContact N-O 2.97Å; K1457-K1459 PolarHBondContact O-N 3.44Å |
| 1460 | K | 80.3 | Confident | 82.7 | Confident | 135 Ų | 135 | 87.3 Ų | 87.3 | 59% | 0.587 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136 | 2.4 | -163.9 | -80.5 | -94.9 | -173.5 | 167.4 | 0 | 112.7 | T371 E372 A373 L1458 | T371-K1460 CarbonylContact C-O 3.58Å; T371-K1460 VanDerWaalsContact C-O 3.3Å; T371-K1460 WeakPolarHBondContact O-CB 3.48Å; T371-K1460 WeakPolarHBondContact O-CD 2.96Å; T371-K1460 VanDerWaalsContact O-O 3.05Å; E372-K1460 VanDerWaalsContact C-C 3.47Å; E372-K1460 VanDerWaalsContact C-CA 3.45Å; E372-K1460 CarbonylContact C-O 3.54Å; E372-K1460 VanDerWaalsContact CA-O 3.28Å; E372-K1460 WeakPolarHBondContact CA-O 3.33Å; E372-K1460 WeakPolarHBondContact CB-O 3.31Å; A373-K1460 VanDerWaalsContact N-C 3.25Å; A373-K1460 VanDerWaalsContact N-CA 3.34Å; A373-K1460 PolarHBondContact N-O 3.34Å; L1458-K1460 PolarHBondContact O-N 2.81Å |
| 1461 | G | 82.3 | Confident | 81.9 | Confident | 12 Ų | 12 | 86.5 Ų | 86.5 | 12% | 0.124 | 43% | 0.427 | C | S | . | . | trans | 67.4 | -154.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1458 | L1458-G1461 WeakPolarHBondContact CD1-O 3.31Å; L1458-G1461 PolarHBondContact O-N 3.34Å | ||
| 1462 | L | 85.5 | Confident | 81.4 | Confident | 18 Ų | 18 | 80.2 Ų | 80.2 | 9% | 0.094 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -113.7 | 149.8 | 170.5 | -67.8 | 174 | 0 | 0 | 0 | 108.7 | T371 F1382 V1422 R1424 C1444 L1458 K1464 | T371-L1462 WeakPolarHBondContact CG2-O 3.32Å; F1382-L1462 HydrophobicContact CE1-CD2 4.04Å; F1382-L1462 HydrophobicContact CZ-CD2 4.2Å; V1422-L1462 HydrophobicContact CG1-CD1 4.28Å; R1424-L1462 HydrophobicContact CG-CD1 3.86Å; R1424-L1462 HydrophobicContact CG-CG 4.1Å; C1444-L1462 HydrophobicContact CB-CD1 4.2Å; C1444-L1462 HydrophobicContact CB-CD2 4.18Å; L1458-L1462 HydrophobicContact CD1-CD2 3.79Å; L1458-L1462 HydrophobicContact CD1-CG 4.36Å; L1462-K1464 PolarHBondContact O-N 3.43Å |
| 1463 | K | 86.3 | Confident | 80.7 | Confident | 18 Ų | 18 | 78.3 Ų | 78.3 | 8% | 0.078 | 38% | 0.379 | C | S | . | . | trans | -53 | 135.3 | 178.6 | -175.3 | 161.8 | 175.2 | -169.6 | 0 | 113 | D368 E369 S370 T371 F1465 | D368-K1463 PolarHBondContact O-NZ 2.82Å; D368-K1463 IonicContact OD1-NZ 3.8Å; D368-K1463 PolarHBondContact OD1-NZ 3.27Å; D368-K1463 IonicContact OD2-NZ 3.69Å; D368-K1463 PolarHBondContact OD2-NZ 3.12Å; E369-K1463 HydrophobicContact CG-CB 4.48Å; E369-K1463 HydrophobicContact CG-CD 3.51Å; E369-K1463 HydrophobicContact CG-CG 4.45Å; S370-K1463 WeakPolarHBondContact O-CG 3.23Å; T371-K1463 WeakPolarHBondContact OG1-CA 3.42Å; T371-K1463 PolarHBondContact OG1-N 3.43Å; K1463-F1465 HydrophobicContact CB-CE2 3.95Å; K1463-F1465 HydrophobicContact CD-CD1 4.27Å; K1463-F1465 HydrophobicContact CD-CD2 4.08Å; K1463-F1465 HydrophobicContact CD-CE1 3.83Å; K1463-F1465 HydrophobicContact CD-CE2 3.56Å; K1463-F1465 HydrophobicContact CD-CG 4.4Å; K1463-F1465 HydrophobicContact CD-CZ 3.44Å; K1463-F1465 VanDerWaalsContact CD-CZ 3.44Å; K1463-F1465 VanDerWaalsContact CE-CD1 3.44Å; K1463-F1465 HydrophobicContact CG-CD2 3.72Å; K1463-F1465 HydrophobicContact CG-CE2 3.45Å; K1463-F1465 VanDerWaalsContact CG-CE2 3.45Å; K1463-F1465 HydrophobicContact CG-CG 4.34Å; K1463-F1465 HydrophobicContact CG-CZ 3.92Å | ||
| 1464 | K | 82.5 | Confident | 80.2 | Confident | 110 Ų | 110 | 77.6 Ų | 77.6 | 48% | 0.478 | 38% | 0.378 | S | S | . | . | trans | -111.3 | 129.9 | 162.7 | -67.9 | 175.7 | 171.8 | 176.6 | 0 | 106.2 | T371 E372 L1462 | T371-K1464 HydrophobicContact CG2-CB 4.08Å; T371-K1464 HydrophobicContact CG2-CG 4.3Å; E372-K1464 WeakPolarHBondContact OE1-CE 3.29Å; E372-K1464 IonicContact OE1-NZ 3.65Å; E372-K1464 PolarHBondContact OE1-NZ 3.15Å; L1462-K1464 PolarHBondContact O-N 3.43Å | ||
| 1465 | F | 82.1 | Confident | 80.2 | Confident | 33 Ų | 33 | 76.3 Ų | 76.3 | 15% | 0.145 | 37% | 0.369 | C | S | . | . | trans | -91.2 | 151.7 | 174.7 | -66.7 | -106.3 | 0 | 0 | 0 | 108.4 | L1343 V1363 K1463 F1467 | L1343-F1465 HydrophobicContact CB-CD1 3.49Å; L1343-F1465 VanDerWaalsContact CB-CD1 3.49Å; L1343-F1465 HydrophobicContact CB-CE1 3.65Å; L1343-F1465 HydrophobicContact CB-CG 4.25Å; V1363-F1465 WeakPolarHBondContact O-CZ 3.41Å; K1463-F1465 HydrophobicContact CB-CE2 3.95Å; K1463-F1465 HydrophobicContact CD-CD1 4.27Å; K1463-F1465 HydrophobicContact CD-CD2 4.08Å; K1463-F1465 HydrophobicContact CD-CE1 3.83Å; K1463-F1465 HydrophobicContact CD-CE2 3.56Å; K1463-F1465 HydrophobicContact CD-CG 4.4Å; K1463-F1465 HydrophobicContact CD-CZ 3.44Å; K1463-F1465 VanDerWaalsContact CD-CZ 3.44Å; K1463-F1465 VanDerWaalsContact CE-CD1 3.44Å; K1463-F1465 HydrophobicContact CG-CD2 3.72Å; K1463-F1465 HydrophobicContact CG-CE2 3.45Å; K1463-F1465 VanDerWaalsContact CG-CE2 3.45Å; K1463-F1465 HydrophobicContact CG-CG 4.34Å; K1463-F1465 HydrophobicContact CG-CZ 3.92Å; F1465-F1467 HydrophobicContact CB-CE1 4.14Å; F1465-F1467 HydrophobicContact CB-CZ 4.16Å | ||
| 1466 | Q | 77.2 | Confident | 80.1 | Confident | 187 Ų | 187 | 75.4 Ų | 75.4 | 87% | 0.874 | 36% | 0.364 | S | S | * | . | trans | -119.3 | 138.3 | 163.7 | -70 | -175.8 | -31.5 | 0 | 0 | 105.6 | ||||
| 1467 | F | 80.4 | Confident | 80.1 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 30% | 0.298 | 36% | 0.356 | S | S | . | . | trans | -105.4 | 144 | -173.4 | -61.3 | -61.6 | 0 | 0 | 0 | 109.8 | E1331 K1342 L1343 F1465 I1472 | E1331-F1467 WeakPolarHBondContact OE1-CA 3.47Å; K1342-F1467 HydrophobicContact CD-CZ 4.03Å; K1342-F1467 HydrophobicContact CG-CZ 4.41Å; L1343-F1467 HydrophobicContact CB-CE1 4.29Å; L1343-F1467 WeakPolarHBondContact O-CZ 3.39Å; F1465-F1467 HydrophobicContact CB-CE1 4.14Å; F1465-F1467 HydrophobicContact CB-CZ 4.16Å; F1467-I1472 HydrophobicContact CB-CB 4.36Å; F1467-I1472 HydrophobicContact CB-CD1 3.72Å; F1467-I1472 HydrophobicContact CB-CG2 4.43Å; F1467-I1472 HydrophobicContact CD1-CD1 3.93Å; F1467-I1472 HydrophobicContact CD1-CG2 4.01Å; F1467-I1472 HydrophobicContact CD2-CB 4.47Å; F1467-I1472 HydrophobicContact CD2-CG2 3.78Å; F1467-I1472 HydrophobicContact CE1-CG2 4.18Å; F1467-I1472 HydrophobicContact CE2-CG2 3.96Å; F1467-I1472 HydrophobicContact CG-CB 4.27Å; F1467-I1472 HydrophobicContact CG-CD1 3.99Å; F1467-I1472 HydrophobicContact CG-CG2 3.81Å; F1467-I1472 HydrophobicContact CZ-CG2 4.16Å | ||
| 1468 | T | 75.7 | Confident | 80 | Confident | 100 Ų | 100 | 69 Ų | 69 | 61% | 0.613 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -79.9 | -34.9 | 179.1 | 68.7 | 0 | 0 | 0 | 0 | 111.6 | L1318 E1331 | L1318-T1468 HydrophobicContact CD1-CG2 3.83Å; E1331-T1468 PolarHBondContact OE1-N 3.12Å; E1331-T1468 PolarHBondContact OE2-N 3.3Å; E1331-T1468 VanDerWaalsContact OE2-N 3.1Å; E1331-T1468 PolarHBondContact OE2-OG1 2.9Å |
| 1469 | S | 72.1 | Confident | 79.8 | Confident | 35 Ų | 35 | 71.2 Ų | 71.2 | 25% | 0.245 | 35% | 0.348 | C | S | . | . | trans | -94.5 | 136.5 | 176.8 | -173.8 | 0 | 0 | 0 | 0 | 113.8 | E1331 D1471 | E1331-S1469 PolarHBondContact OE2-N 3.4Å; S1469-D1471 PolarHBondContact O-N 3.06Å; S1469-D1471 PolarHBondContact OG-N 3.25Å; S1469-D1471 VanDerWaalsContact OG-N 3.14Å | ||
| 1470 | N | 67.4 | Low | 79.8 | Confident | 167 Ų | 167 | 64.7 Ų | 64.7 | 89% | 0.893 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -10.2 | 169.7 | -66.2 | -55.1 | 0 | 0 | 0 | 113.3 | I1472 | N1470-I1472 PolarHBondContact O-N 3.2Š|
| 1471 | D | 68.7 | Low | 79.2 | Confident | 112 Ų | 112 | 60.3 Ų | 60.3 | 60% | 0.599 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -0.2 | 178.9 | -69.1 | -11.6 | 0 | 0 | 0 | 112.7 | I1316 S1469 | I1316-D1471 HydrophobicContact CD1-CB 3.66Å; S1469-D1471 PolarHBondContact O-N 3.06Å; S1469-D1471 PolarHBondContact OG-N 3.25Å; S1469-D1471 VanDerWaalsContact OG-N 3.14Å |
| 1472 | I | 72.5 | Confident | 78.6 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 6% | 0.062 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -82 | 131.3 | 177.9 | -70.2 | 163.1 | 0 | 0 | 0 | 109.9 | I1316 E1331 Q1332 K1342 F1467 N1470 E1474 | I1316-I1472 HydrophobicContact CB-CG1 4.4Å; I1316-I1472 HydrophobicContact CD1-CD1 4.41Å; I1316-I1472 HydrophobicContact CD1-CG1 3.49Å; I1316-I1472 VanDerWaalsContact CD1-CG1 3.49Å; I1316-I1472 HydrophobicContact CG2-CD1 4.11Å; I1316-I1472 HydrophobicContact CG2-CG1 4.32Å; E1331-I1472 HydrophobicContact CB-CD1 3.48Å; E1331-I1472 VanDerWaalsContact CB-CD1 3.48Å; E1331-I1472 HydrophobicContact CG-CD1 4.18Å; E1331-I1472 WeakPolarHBondContact OE2-CD1 3.34Å; Q1332-I1472 HydrophobicContact CB-CG1 4.22Å; K1342-I1472 HydrophobicContact CD-CG2 4.2Å; F1467-I1472 HydrophobicContact CB-CB 4.36Å; F1467-I1472 HydrophobicContact CB-CD1 3.72Å; F1467-I1472 HydrophobicContact CB-CG2 4.43Å; F1467-I1472 HydrophobicContact CD1-CD1 3.93Å; F1467-I1472 HydrophobicContact CD1-CG2 4.01Å; F1467-I1472 HydrophobicContact CD2-CB 4.47Å; F1467-I1472 HydrophobicContact CD2-CG2 3.78Å; F1467-I1472 HydrophobicContact CE1-CG2 4.18Å; F1467-I1472 HydrophobicContact CE2-CG2 3.96Å; F1467-I1472 HydrophobicContact CG-CB 4.27Å; F1467-I1472 HydrophobicContact CG-CD1 3.99Å; F1467-I1472 HydrophobicContact CG-CG2 3.81Å; F1467-I1472 HydrophobicContact CZ-CG2 4.16Å; N1470-I1472 PolarHBondContact O-N 3.2Å; I1472-E1474 PolarHBondContact O-N 3.35Å; I1472-E1474 VanDerWaalsContact O-N 3.14Å |
| 1473 | H | 71.2 | Confident | 77.9 | Confident | 61 Ų | 61 | 69.3 Ų | 69.3 | 28% | 0.282 | 34% | 0.343 | S | S | . | . | trans | -74 | 110.1 | -177.1 | -92.6 | -118.2 | 0 | 0 | 0 | 111.5 | L1313 K1342 | L1313-H1473 HydrophobicContact CD2-CB 4.33Å; L1313-H1473 WeakPolarHBondContact CD2-CD2 3.26Å; L1313-H1473 WeakPolarHBondContact CD2-NE2 3.33Å; K1342-H1473 WeakPolarHBondContact CE-O 3.39Å | ||
| 1474 | E | 76.9 | Confident | 77.6 | Confident | 108 Ų | 108 | 68.5 Ų | 68.5 | 51% | 0.505 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 149.5 | 163.4 | -65.3 | -166.8 | 145.9 | 0 | 0 | 110.9 | R970 P1055 I1472 | R970-E1474 PolarHBondContact NH1-O 3.14Å; R970-E1474 VanDerWaalsContact NH1-O 3.13Å; R970-E1474 PolarHBondContact NH2-O 2.79Å; P1055-E1474 HydrophobicContact CG-CB 3.98Å; I1472-E1474 PolarHBondContact O-N 3.35Å; I1472-E1474 VanDerWaalsContact O-N 3.14Å |
| 1475 | D | 83.8 | Confident | 77.3 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 17% | 0.171 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 127.3 | 172.1 | -64.8 | -32 | 0 | 0 | 0 | 110 | K1342 Y1421 F1477 | K1342-D1475 WeakPolarHBondContact CE-OD1 3.38Å; K1342-D1475 IonicContact NZ-OD1 3.91Å; K1342-D1475 PolarHBondContact NZ-OD1 3.44Å; K1342-D1475 IonicContact NZ-OD2 2.69Å; Y1421-D1475 VanDerWaalsContact CE2-OD2 3.28Å; Y1421-D1475 WeakPolarHBondContact CE2-OD2 3.33Å; Y1421-D1475 PolarHBondContact OH-OD2 3.4Å; D1475-F1477 HydrophobicContact CB-CD2 4.16Å; D1475-F1477 HydrophobicContact CB-CE2 3.52Å; D1475-F1477 HydrophobicContact CB-CZ 3.89Å; D1475-F1477 VanDerWaalsContact O-CD2 3.23Å; D1475-F1477 WeakPolarHBondContact O-CD2 3.41Å |
| 1476 | E | 88.3 | Confident | 77 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 131.7 | 170.5 | 176.6 | 175.9 | 113 | 0 | 0 | 110.2 | R970 L971 L1052 S1054 P1433 T1434 | R970-E1476 WeakPolarHBondContact CA-OE1 3.34Å; R970-E1476 HydrophobicContact CG-CB 4.17Å; L971-E1476 PolarHBondContact N-OE1 2.99Å; L971-E1476 PolarHBondContact N-OE2 3.39Å; L1052-E1476 HydrophobicContact CD1-CG 3.9Å; L1052-E1476 HydrophobicContact CG-CG 4.26Å; S1054-E1476 WeakPolarHBondContact CB-OE2 2.9Å; S1054-E1476 PolarHBondContact OG-OE2 2.89Å; P1433-E1476 CarbonylContact C-O 3.52Å; P1433-E1476 WeakPolarHBondContact CA-O 3.33Å; T1434-E1476 HydrophobicContact CG2-CG 3.96Å; T1434-E1476 PolarHBondContact N-O 2.97Å; T1434-E1476 WeakPolarHBondContact OG1-CB 3.28Å; T1434-E1476 PolarHBondContact OG1-O 3.06Å |
| 1477 | F | 89.3 | Confident | 77 | Confident | 44 Ų | 44 | 61 Ų | 61 | 19% | 0.193 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124 | -174 | -76.8 | -82.4 | 0 | 0 | 0 | 113.6 | Y1053 M1423 A1431 R1432 P1433 D1475 F1479 | Y1053-F1477 PolarHBondContact N-O 3.35Å; Y1053-F1477 PolarHBondContact O-N 3.09Å; M1423-F1477 HydrophobicContact CE-CE1 4.22Å; A1431-F1477 HydrophobicContact CB-CD1 4.27Å; R1432-F1477 CarbonylContact O-C 3.3Å; R1432-F1477 VanDerWaalsContact O-CA 3.27Å; R1432-F1477 WeakPolarHBondContact O-CA 3.09Å; P1433-F1477 HydrophobicContact CB-CE1 4.19Å; D1475-F1477 HydrophobicContact CB-CD2 4.16Å; D1475-F1477 HydrophobicContact CB-CE2 3.52Å; D1475-F1477 HydrophobicContact CB-CZ 3.89Å; D1475-F1477 VanDerWaalsContact O-CD2 3.23Å; D1475-F1477 WeakPolarHBondContact O-CD2 3.41Å; F1477-F1479 HydrophobicContact CB-CD2 4.17Å; F1477-F1479 HydrophobicContact CB-CE2 3.63Å; F1477-F1479 HydrophobicContact CB-CZ 4.42Å |
| 1478 | Y | 87.7 | Confident | 77.3 | Confident | 15 Ų | 15 | 60 Ų | 60 | 6% | 0.059 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 114.1 | 168.1 | -170.9 | -74.4 | 0 | 0 | 0 | 109.8 | V908 V1050 L1052 A1431 R1432 F1480 | V908-Y1478 HydrophobicContact CB-CG 4.43Å; V908-Y1478 HydrophobicContact CG1-CD1 4.45Å; V908-Y1478 HydrophobicContact CG1-CD2 3.98Å; V908-Y1478 HydrophobicContact CG1-CG 3.77Å; V908-Y1478 HydrophobicContact CG2-CD1 3.87Å; V908-Y1478 HydrophobicContact CG2-CE1 4.4Å; V908-Y1478 HydrophobicContact CG2-CG 4.05Å; V1050-Y1478 HydrophobicContact CB-CE2 4.47Å; V1050-Y1478 HydrophobicContact CG1-CD2 4.05Å; V1050-Y1478 HydrophobicContact CG1-CE2 3.51Å; V1050-Y1478 HydrophobicContact CG2-CE2 4.3Å; L1052-Y1478 HydrophobicContact CD1-CD2 4.4Å; A1431-Y1478 CarbonylContact C-O 3.59Å; A1431-Y1478 WeakPolarHBondContact CA-O 3.19Å; A1431-Y1478 WeakPolarHBondContact CB-O 3.25Å; R1432-Y1478 PolarHBondContact N-O 2.93Å; R1432-Y1478 PolarHBondContact O-N 2.98Å; Y1478-F1480 HydrophobicContact CD1-CD1 4.2Å; Y1478-F1480 HydrophobicContact CD1-CE1 4.37Å; Y1478-F1480 HydrophobicContact CE1-CD1 4.27Å |
| 1479 | F | 84.9 | Confident | 77.7 | Confident | 73 Ų | 73 | 59.5 Ų | 59.5 | 32% | 0.32 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 141 | 175.5 | -71.9 | -105.7 | 0 | 0 | 0 | 111.8 | V1051 Q1430 A1431 F1477 | V1051-F1479 HydrophobicContact CB-CB 4.03Å; V1051-F1479 HydrophobicContact CG1-CB 4.05Å; V1051-F1479 WeakPolarHBondContact O-CA 3.43Å; V1051-F1479 VanDerWaalsContact O-CB 3.3Å; V1051-F1479 WeakPolarHBondContact O-CB 3.44Å; V1051-F1479 PolarHBondContact O-N 3.16Å; Q1430-F1479 WeakPolarHBondContact O-CA 3.39Å; A1431-F1479 HydrophobicContact CB-CD1 3.77Å; A1431-F1479 HydrophobicContact CB-CD2 4.1Å; A1431-F1479 HydrophobicContact CB-CE1 3.88Å; A1431-F1479 HydrophobicContact CB-CE2 4.19Å; A1431-F1479 HydrophobicContact CB-CG 3.87Å; A1431-F1479 HydrophobicContact CB-CZ 4.08Å; F1477-F1479 HydrophobicContact CB-CD2 4.17Å; F1477-F1479 HydrophobicContact CB-CE2 3.63Å; F1477-F1479 HydrophobicContact CB-CZ 4.42Å |
| 1480 | F | 80.9 | Confident | 78.3 | Confident | 18 Ų | 18 | 60 Ų | 60 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | trans | -82.1 | 132.3 | -175.9 | -56.1 | -56.2 | 0 | 0 | 0 | 112.5 | A905 P906 V908 Q1430 R1432 Y1478 Q1482 I1484 | A905-F1480 HydrophobicContact CB-CE1 4.15Å; A905-F1480 HydrophobicContact CB-CZ 3.89Å; P906-F1480 HydrophobicContact CG-CD1 3.53Å; P906-F1480 HydrophobicContact CG-CE1 3.67Å; V908-F1480 HydrophobicContact CG2-CE1 4Å; Q1430-F1480 WeakPolarHBondContact O-CD2 3.38Å; Q1430-F1480 PolarHBondContact O-N 3.14Å; R1432-F1480 HydrophobicContact CG-CE1 4.1Å; R1432-F1480 HydrophobicContact CG-CE2 4.24Å; R1432-F1480 HydrophobicContact CG-CZ 3.44Å; R1432-F1480 VanDerWaalsContact CG-CZ 3.44Å; Y1478-F1480 HydrophobicContact CD1-CD1 4.2Å; Y1478-F1480 HydrophobicContact CD1-CE1 4.37Å; Y1478-F1480 HydrophobicContact CE1-CD1 4.27Å; F1480-Q1482 VanDerWaalsContact CB-O 3.25Å; F1480-Q1482 WeakPolarHBondContact CB-O 3.32Å; F1480-Q1482 PolarHBondContact O-N 3.25Å; F1480-Q1482 VanDerWaalsContact O-N 3.11Å; F1480-I1484 HydrophobicContact CD1-CD1 4.29Å; F1480-I1484 HydrophobicContact CD2-CD1 3.54Å; F1480-I1484 HydrophobicContact CD2-CG1 3.75Å; F1480-I1484 HydrophobicContact CE1-CD1 3.98Å; F1480-I1484 HydrophobicContact CE2-CD1 3.18Å; F1480-I1484 HydrophobicContact CE2-CG1 3.92Å; F1480-I1484 HydrophobicContact CG-CD1 4.07Å; F1480-I1484 HydrophobicContact CG-CG1 4.18Å; F1480-I1484 HydrophobicContact CZ-CD1 3.37Å; F1480-I1484 HydrophobicContact CZ-CG1 4.43Å | ||
| 1481 | P | 67.7 | Low | 79.2 | Confident | 42 Ų | 42 | 52.1 Ų | 52.1 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -60.1 | -21.1 | 176.2 | -29 | 38 | 0 | 0 | 0 | 115.2 | Q1028 H1049 | Q1028-P1481 PolarHBondContact NE2-O 3.02Å; H1049-P1481 HydrophobicContact CB-CB 3.59Å; H1049-P1481 HydrophobicContact CB-CG 3.45Å; H1049-P1481 VanDerWaalsContact CB-CG 3.45Å; H1049-P1481 WeakPolarHBondContact O-CG 3.03Å |
| 1482 | Q | 69 | Low | 79.7 | Confident | 135 Ų | 135 | 48.9 Ų | 48.9 | 63% | 0.631 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -135.5 | 135.1 | 173.1 | -63.5 | -178.9 | 2.4 | 0 | 0 | 107.1 | F1480 I1484 | F1480-Q1482 VanDerWaalsContact CB-O 3.25Å; F1480-Q1482 WeakPolarHBondContact CB-O 3.32Å; F1480-Q1482 PolarHBondContact O-N 3.25Å; F1480-Q1482 VanDerWaalsContact O-N 3.11Å; Q1482-I1484 PolarHBondContact O-N 2.87Å |
| 1483 | Q | 71.1 | Confident | 80.2 | Confident | 84 Ų | 84 | 50.5 Ų | 50.5 | 39% | 0.393 | 25% | 0.254 | S | S | . | . | trans | -64.4 | 125.6 | -179 | -166.7 | -163.2 | -53.8 | 0 | 0 | 110 | P901 S1429 Q1430 | P901-Q1483 WeakPolarHBondContact CB-O 3.47Å; S1429-Q1483 CarbonylContact O-C 3.5Å; S1429-Q1483 WeakPolarHBondContact O-CA 3.35Å; S1429-Q1483 WeakPolarHBondContact O-CG 3.26Å; Q1430-Q1483 HydrophobicContact CG-CG 4.39Å | ||
| 1484 | I | 80 | Confident | 80.7 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | trans | -68.2 | 144.1 | 172.3 | -60.3 | 178.2 | 0 | 0 | 0 | 108.8 | P902 A905 S1429 F1480 Q1482 | P902-I1484 WeakPolarHBondContact O-CA 3.48Å; P902-I1484 WeakPolarHBondContact O-CG2 3.22Å; A905-I1484 VanDerWaalsContact CA-CD1 3.44Å; A905-I1484 HydrophobicContact CB-CD1 3.66Å; S1429-I1484 VanDerWaalsContact CB-O 3.23Å; S1429-I1484 WeakPolarHBondContact CB-O 3.45Å; S1429-I1484 PolarHBondContact O-N 2.84Å; S1429-I1484 PolarHBondContact OG-O 2.92Å; F1480-I1484 HydrophobicContact CD1-CD1 4.29Å; F1480-I1484 HydrophobicContact CD2-CD1 3.54Å; F1480-I1484 HydrophobicContact CD2-CG1 3.75Å; F1480-I1484 HydrophobicContact CE1-CD1 3.98Å; F1480-I1484 HydrophobicContact CE2-CD1 3.18Å; F1480-I1484 HydrophobicContact CE2-CG1 3.92Å; F1480-I1484 HydrophobicContact CG-CD1 4.07Å; F1480-I1484 HydrophobicContact CG-CG1 4.18Å; F1480-I1484 HydrophobicContact CZ-CD1 3.37Å; F1480-I1484 HydrophobicContact CZ-CG1 4.43Å; Q1482-I1484 PolarHBondContact O-N 2.87Å | ||
| 1485 | M | 76.8 | Confident | 80.5 | Confident | 107 Ų | 107 | 45.7 Ų | 45.7 | 53% | 0.527 | 24% | 0.242 | S | C | . | . | trans | -117.5 | 96.6 | 164.9 | -68.6 | -146.3 | 67.9 | 0 | 0 | 110.2 | P901 P902 C903 R1487 | P901-M1485 HydrophobicContact CB-CB 4.44Å; P901-M1485 HydrophobicContact CB-CG 4.16Å; P901-M1485 HydrophobicContact CG-CG 4.18Å; P902-M1485 PolarHBondContact O-N 3.44Å; C903-M1485 WeakPolarHBondContact CA-O 3.46Å; C903-M1485 VanDerWaalsContact CB-O 3.29Å; C903-M1485 WeakPolarHBondContact CB-O 3.4Å; M1485-R1487 PolarHBondContact O-N 2.8Å; M1485-R1487 VanDerWaalsContact O-N 3.15Å | ||
| 1486 | P | 76.4 | Confident | 79.9 | Confident | 14 Ų | 14 | 50.7 Ų | 50.7 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 117.4 | 175.8 | 26 | -32.7 | 0 | 0 | 0 | 109.3 | Y1397 Y1428 M1443 | Y1397-P1486 HydrophobicContact CD1-CB 4.15Å; Y1397-P1486 HydrophobicContact CD1-CG 4.09Å; Y1397-P1486 WeakPolarHBondContact CD1-O 3.47Å; Y1397-P1486 HydrophobicContact CE1-CG 4.19Å; Y1397-P1486 WeakPolarHBondContact CE1-O 3.27Å; Y1428-P1486 HydrophobicContact CD1-CB 4.34Å; Y1428-P1486 HydrophobicContact CD1-CG 4.08Å; Y1428-P1486 HydrophobicContact CE1-CB 4.07Å; Y1428-P1486 HydrophobicContact CE1-CG 4.32Å; M1443-P1486 HydrophobicContact CE-CB 4.02Å; M1443-P1486 HydrophobicContact CE-CG 4.35Å; M1443-P1486 HydrophobicContact SD-CB 4.3Å; M1443-P1486 HydrophobicContact SD-CG 3.96Å |
| 1487 | R | 77 | Confident | 78.9 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 141.2 | 177.1 | -65.9 | 176 | -177.2 | 169.5 | 0.1 | 108.9 | C903 P1398 M1485 | C903-R1487 HydrophobicContact CB-CG 3.87Å; P1398-R1487 VanDerWaalsContact CD-O 3.26Å; P1398-R1487 WeakPolarHBondContact CD-O 3.49Å; M1485-R1487 PolarHBondContact O-N 2.8Å; M1485-R1487 VanDerWaalsContact O-N 3.15Å |
| 1488 | K | 86.2 | Confident | 77.6 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 134.2 | 173.6 | -70.3 | -178.3 | 154.3 | -80 | 0 | 111.9 | R887 L1395 F1396 Y1397 E1400 | R887-K1488 PolarHBondContact NH1-O 3.37Å; R887-K1488 VanDerWaalsContact NH1-O 3.11Å; L1395-K1488 HydrophobicContact CB-CB 3.8Å; L1395-K1488 HydrophobicContact CB-CD 4.19Å; L1395-K1488 PolarHBondContact O-NZ 3.12Å; F1396-K1488 CarbonylContact O-C 3.42Å; F1396-K1488 WeakPolarHBondContact O-CA 3.48Å; F1396-K1488 WeakPolarHBondContact O-CB 3.34Å; Y1397-K1488 HydrophobicContact CD1-CD 4.44Å; Y1397-K1488 HydrophobicContact CD1-CG 3.54Å; Y1397-K1488 HydrophobicContact CE1-CD 4.27Å; Y1397-K1488 HydrophobicContact CE1-CG 3.68Å; Y1397-K1488 VanDerWaalsContact CE2-CE 3.47Å; Y1397-K1488 HydrophobicContact CG-CG 3.99Å; E1400-K1488 IonicContact OE1-NZ 3.47Å; E1400-K1488 IonicContact OE2-NZ 3.45Å; E1400-K1488 PolarHBondContact OE2-NZ 2.73Å |
| 1489 | D | 83.3 | Confident | 76.2 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -92.9 | 169.8 | 175.7 | -64.7 | -34.8 | 0 | 0 | 0 | 111.5 | L1395 F1396 P1398 | L1395-D1489 VanDerWaalsContact CA-O 3.3Å; L1395-D1489 WeakPolarHBondContact CA-O 3.4Å; L1395-D1489 WeakPolarHBondContact CD2-O 3.49Å; F1396-D1489 PolarHBondContact N-O 3.08Å; F1396-D1489 PolarHBondContact O-N 2.8Å; P1398-D1489 WeakPolarHBondContact CG-OD2 3.44Å |
| 1490 | A | 84.9 | Confident | 75.2 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 37% | 0.372 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 151.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L884 L1494 | L884-A1490 HydrophobicContact CD1-CB 3.85Å; A1490-L1494 HydrophobicContact CB-CD2 3.95Å |
| 1491 | S | 86 | Confident | 74.2 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.014 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 136.7 | 157.5 | 166.6 | 0 | 0 | 0 | 0 | 110.9 | H1390 P1392 R1394 L1493 L1494 | H1390-S1491 PolarHBondContact CD2-OG 2.98Å; H1390-S1491 WeakPolarHBondContact NE2-CB 3.16Å; H1390-S1491 PolarHBondContact NE2-OG 3.47Å; P1392-S1491 VanDerWaalsContact O-CB 3.31Å; P1392-S1491 WeakPolarHBondContact O-CB 3.44Å; R1394-S1491 VanDerWaalsContact O-CB 3.32Å; R1394-S1491 WeakPolarHBondContact O-CB 3.49Å; R1394-S1491 PolarHBondContact O-N 3.25Å; R1394-S1491 VanDerWaalsContact O-N 3.16Å; S1491-L1493 PolarHBondContact O-N 3.43Å; S1491-L1493 VanDerWaalsContact OG-CB 3.29Å; S1491-L1493 WeakPolarHBondContact OG-CB 3.45Å; S1491-L1493 PolarHBondContact OG-N 3.01Å; S1491-L1494 VanDerWaalsContact O-CB 3.26Å; S1491-L1494 WeakPolarHBondContact O-CB 3.37Å; S1491-L1494 PolarHBondContact O-N 3.09Å |
| 1492 | P | 78.9 | Confident | 74.2 | Confident | 45 Ų | 45 | 64.6 Ų | 64.6 | 29% | 0.292 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.5 | -31.7 | 167.3 | -25.1 | 35.1 | 0 | 0 | 0 | 112.9 | L1494 A1495 Q1496 | P1492-L1494 VanDerWaalsContact C-N 3.28Å; P1492-L1494 PolarHBondContact O-N 2.88Å; P1492-A1495 WeakPolarHBondContact O-CB 3.49Å; P1492-A1495 PolarHBondContact O-N 3.24Å; P1492-A1495 VanDerWaalsContact O-N 3.12Å; P1492-Q1496 PolarHBondContact O-N 3.21Å |
| 1493 | L | 83.4 | Confident | 74.3 | Confident | 46 Ų | 46 | 62.9 Ų | 62.9 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68 | -26.6 | 177.8 | -50.7 | 177.9 | 0 | 0 | 0 | 111.8 | H1390 P1392 S1491 A1495 Q1496 A1497 | H1390-L1493 WeakPolarHBondContact O-CD1 3.45Å; P1392-L1493 HydrophobicContact CB-CB 4.29Å; P1392-L1493 HydrophobicContact CG-CB 4.2Å; S1491-L1493 PolarHBondContact O-N 3.43Å; S1491-L1493 VanDerWaalsContact OG-CB 3.29Å; S1491-L1493 WeakPolarHBondContact OG-CB 3.45Å; S1491-L1493 PolarHBondContact OG-N 3.01Å; L1493-A1495 PolarHBondContact O-N 2.8Å; L1493-Q1496 PolarHBondContact O-N 2.97Å; L1493-A1497 VanDerWaalsContact O-CB 3.22Å; L1493-A1497 WeakPolarHBondContact O-CB 3.2Å; L1493-A1497 PolarHBondContact O-N 2.85Å |
| 1494 | L | 82.7 | Confident | 74.1 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.9 | -28.9 | 172.5 | -166.6 | 65.2 | 0 | 0 | 0 | 112.5 | L877 H880 R881 L884 P1392 A1490 S1491 P1492 | L877-L1494 HydrophobicContact CB-CD1 4.05Å; L877-L1494 HydrophobicContact CD2-CD1 3.9Å; L877-L1494 HydrophobicContact CG-CD1 4.42Å; H880-L1494 VanDerWaalsContact ND1-CD2 3.31Å; H880-L1494 WeakPolarHBondContact ND1-CD2 3.4Å; R881-L1494 HydrophobicContact CG-CD1 4.15Å; R881-L1494 HydrophobicContact CG-CD2 3.75Å; R881-L1494 HydrophobicContact CG-CG 3.68Å; R881-L1494 PolarHBondContact NE-O 3.09Å; R881-L1494 VanDerWaalsContact NE-O 3.08Å; L884-L1494 HydrophobicContact CD1-CD2 3.88Å; P1392-L1494 HydrophobicContact CB-CB 4.49Å; P1392-L1494 HydrophobicContact CB-CD1 4.3Å; P1392-L1494 WeakPolarHBondContact O-CB 3.24Å; A1490-L1494 HydrophobicContact CB-CD2 3.95Å; S1491-L1494 VanDerWaalsContact O-CB 3.26Å; S1491-L1494 WeakPolarHBondContact O-CB 3.37Å; S1491-L1494 PolarHBondContact O-N 3.09Å; P1492-L1494 VanDerWaalsContact C-N 3.28Å; P1492-L1494 PolarHBondContact O-N 2.88Å |
| 1495 | A | 71.6 | Confident | 73.4 | Confident | 64 Ų | 64 | 70.2 Ų | 70.2 | 53% | 0.529 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -77.9 | -32.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R881 P1492 L1493 | R881-A1495 PolarHBondContact NH2-O 2.84Å; P1492-A1495 WeakPolarHBondContact O-CB 3.49Å; P1492-A1495 PolarHBondContact O-N 3.24Å; P1492-A1495 VanDerWaalsContact O-N 3.12Å; L1493-A1495 PolarHBondContact O-N 2.8Å |
| 1496 | Q | 71.7 | Confident | 73 | Confident | 138 Ų | 138 | 67.1 Ų | 67.1 | 65% | 0.645 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -82.8 | -39.6 | -178.8 | -64.1 | 172.8 | -1.6 | 0 | 0 | 112.9 | P1492 L1493 S1498 | P1492-Q1496 PolarHBondContact O-N 3.21Å; L1493-Q1496 PolarHBondContact O-N 2.97Å; Q1496-S1498 PolarHBondContact O-N 3.2Å |
| 1497 | A | 66.8 | Low | 72.5 | Confident | 61 Ų | 61 | 67 Ų | 67 | 50% | 0.504 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -78.7 | 2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L877 L1493 | L877-A1497 HydrophobicContact CD1-CB 3.65Å; L1493-A1497 VanDerWaalsContact O-CB 3.22Å; L1493-A1497 WeakPolarHBondContact O-CB 3.2Å; L1493-A1497 PolarHBondContact O-N 2.85Å |
| 1498 | S | 62.8 | Low | 71.7 | Confident | 13 Ų | 13 | 69 Ų | 69 | 9% | 0.091 | 39% | 0.392 | C | S | . | . | trans | -145.4 | 101.1 | 177.9 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | R881 Q1496 | R881-S1498 PolarHBondContact NH1-O 3.38Å; R881-S1498 PolarHBondContact NH1-OG 3.22Å; R881-S1498 PolarHBondContact NH2-O 3.13Å; Q1496-S1498 PolarHBondContact O-N 3.2Å | ||
| 1499 | T | 57.9 | Low | 70.7 | Confident | 135 Ų | 135 | 74.3 Ų | 74.3 | 83% | 0.828 | 41% | 0.411 | S | S | * | . | trans | -85.1 | -13.5 | -176.1 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1500 | E | 64.5 | Low | 69.1 | Low | 106 Ų | 106 | 75.9 Ų | 75.9 | 50% | 0.495 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -69.7 | 135.1 | 177.6 | -64.6 | -163.5 | 153.9 | 0 | 0 | 111.8 | R881 | R881-E1500 PolarHBondContact NH1-O 3Š|
| 1501 | P | 59.9 | Low | 67.5 | Low | 115 Ų | 115 | 77 Ų | 77 | 75% | 0.747 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 140.4 | 175 | 31.2 | -33.9 | 0 | 0 | 0 | 111.5 | ||
| 1502 | L | 67.6 | Low | 65.8 | Low | 54 Ų | 54 | 82.7 Ų | 82.7 | 28% | 0.283 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 134.5 | 176.7 | -69 | 173.6 | 0 | 0 | 0 | 111.5 | R881 V882 A885 N1504 L1507 | R881-L1502 HydrophobicContact CB-CD1 4.34Å; R881-L1502 HydrophobicContact CB-CD2 4.16Å; V882-L1502 HydrophobicContact CG2-CD2 3.73Å; A885-L1502 HydrophobicContact CB-CD1 3.9Å; L1502-N1504 PolarHBondContact O-N 3.1Å; L1502-N1504 VanDerWaalsContact O-N 3.13Å; L1502-L1507 HydrophobicContact CB-CD1 4.02Å; L1502-L1507 HydrophobicContact CD1-CD1 4.3Å |
| 1503 | Q | 71.2 | Confident | 64.4 | Low | 99 Ų | 99 | 85.7 Ų | 85.7 | 46% | 0.463 | 48% | 0.478 | S | S | . | . | trans | -79.7 | 95.3 | 176.4 | -64.4 | -174.9 | 7.4 | 0 | 0 | 110.5 | D1505 Q1506 L1507 | Q1503-D1505 PolarHBondContact O-N 3.11Å; Q1503-D1505 VanDerWaalsContact O-N 3.14Å; Q1503-Q1506 HydrophobicContact CB-CG 4.27Å; Q1503-Q1506 PolarHBondContact O-N 2.89Å; Q1503-L1507 PolarHBondContact O-N 3.47Å | ||
| 1504 | N | 66.2 | Low | 63.2 | Low | 105 Ų | 105 | 84.4 Ų | 84.4 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -53.1 | -33.7 | 179.4 | -80.1 | -16.8 | 0 | 0 | 0 | 113.4 | L1502 Q1506 L1507 N1508 | L1502-N1504 PolarHBondContact O-N 3.1Å; L1502-N1504 VanDerWaalsContact O-N 3.13Å; N1504-Q1506 PolarHBondContact O-N 3.49Å; N1504-L1507 PolarHBondContact O-N 3Å; N1504-N1508 WeakPolarHBondContact O-CB 3.5Å; N1504-N1508 PolarHBondContact O-N 2.84Å |
| 1505 | D | 66.7 | Low | 61.9 | Low | 135 Ų | 135 | 88.5 Ų | 88.5 | 72% | 0.722 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71 | -10.6 | 178.6 | -61.3 | -24.9 | 0 | 0 | 0 | 114.3 | Q1503 R1509 | Q1503-D1505 PolarHBondContact O-N 3.11Å; Q1503-D1505 VanDerWaalsContact O-N 3.14Å; D1505-R1509 WeakPolarHBondContact O-CG 3.38Å; D1505-R1509 PolarHBondContact O-NE 3.35Å |
| 1506 | Q | 67.6 | Low | 61.5 | Low | 42 Ų | 42 | 89.5 Ų | 89.5 | 20% | 0.196 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -92.6 | -40.7 | 166.3 | -65 | -159.2 | 46.1 | 0 | 0 | 111.4 | Y800 Q801 Q1503 N1504 N1508 | Y800-Q1506 HydrophobicContact CD2-CB 4.35Å; Y800-Q1506 HydrophobicContact CE2-CB 4.16Å; Q801-Q1506 PolarHBondContact O-NE2 3.36Å; Q801-Q1506 PolarHBondContact O-OE1 3.13Å; Q1503-Q1506 HydrophobicContact CB-CG 4.27Å; Q1503-Q1506 PolarHBondContact O-N 2.89Å; N1504-Q1506 PolarHBondContact O-N 3.49Å; Q1506-N1508 VanDerWaalsContact C-N 3.29Å; Q1506-N1508 PolarHBondContact O-N 3.36Å |
| 1507 | L | 65.2 | Low | 60.8 | Low | 11 Ų | 11 | 84.2 Ų | 84.2 | 6% | 0.058 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -61.8 | -32.8 | 178.7 | -77.8 | 159.1 | 0 | 0 | 0 | 113.7 | V882 A885 K886 L1502 Q1503 N1504 | V882-L1507 HydrophobicContact CG1-CD2 3.97Å; A885-L1507 HydrophobicContact CB-CD1 4.26Å; A885-L1507 HydrophobicContact CB-CD2 4.17Å; K886-L1507 HydrophobicContact CB-CD2 4.14Å; K886-L1507 PolarHBondContact NZ-O 3.47Å; L1502-L1507 HydrophobicContact CB-CD1 4.02Å; L1502-L1507 HydrophobicContact CD1-CD1 4.3Å; Q1503-L1507 PolarHBondContact O-N 3.47Å; N1504-L1507 PolarHBondContact O-N 3Å |
| 1508 | N | 61.8 | Low | 60.6 | Low | 94 Ų | 94 | 81.3 Ų | 81.3 | 50% | 0.503 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 8.3 | -173.2 | -70.6 | -25.5 | 0 | 0 | 0 | 115.1 | L889 N1504 Q1506 P1510 | L889-N1508 WeakPolarHBondContact CD2-OD1 3.18Å; N1504-N1508 WeakPolarHBondContact O-CB 3.5Å; N1504-N1508 PolarHBondContact O-N 2.84Å; Q1506-N1508 VanDerWaalsContact C-N 3.29Å; Q1506-N1508 PolarHBondContact O-N 3.36Å; N1508-P1510 WeakPolarHBondContact O-CD 3.38Å |
| 1509 | R | 63.7 | Low | 60.7 | Low | 158 Ų | 158 | 84.3 Ų | 84.3 | 60% | 0.596 | 46% | 0.46 | S | S | * | . | trans | -70.6 | 123.1 | 179.5 | -63.7 | -173.5 | 178.2 | -172.9 | -3.6 | 111.4 | D1505 | D1505-R1509 WeakPolarHBondContact O-CG 3.38Å; D1505-R1509 PolarHBondContact O-NE 3.35Å | ||
| 1510 | P | 50.5 | Low | 61 | Low | 122 Ų | 122 | 78.8 Ų | 78.8 | 79% | 0.792 | 43% | 0.429 | S | S | * | . | trans | -78.1 | 128.1 | 173.9 | 31.1 | -32.7 | 0 | 0 | 0 | 110.5 | N1508 | N1508-P1510 WeakPolarHBondContact O-CD 3.38Š| ||
| 1511 | L | 51 | Low | 60.9 | Low | 70 Ų | 70 | 73.9 Ų | 73.9 | 37% | 0.366 | 41% | 0.406 | S | S | . | . | trans | -108.6 | 99.4 | -174.4 | -83.7 | 154.5 | 0 | 0 | 0 | 112.1 | Q795 L1513 | Q795-L1511 HydrophobicContact CB-CD1 3.89Å; Q795-L1511 HydrophobicContact CG-CD1 4.49Å; L1511-L1513 PolarHBondContact O-N 3.15Å; L1511-L1513 VanDerWaalsContact O-N 3.16Å | ||
| 1512 | S | 49.6 | Very low | 61.2 | Low | 121 Ų | 121 | 69.4 Ų | 69.4 | 85% | 0.846 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 0.9 | -179.7 | 52 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1513 | L | 51.4 | Low | 61.1 | Low | 108 Ų | 108 | 70 Ų | 70 | 57% | 0.565 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.9 | 28.1 | -177.3 | -70.7 | 174.7 | 0 | 0 | 0 | 113.3 | L1511 F1515 T1516 C1517 | L1511-L1513 PolarHBondContact O-N 3.15Å; L1511-L1513 VanDerWaalsContact O-N 3.16Å; L1513-F1515 VanDerWaalsContact C-N 3.31Å; L1513-F1515 PolarHBondContact O-N 3.36Å; L1513-T1516 PolarHBondContact O-N 3.35Å; L1513-C1517 PolarHBondContact O-N 2.93Å |
| 1514 | A | 56.9 | Low | 60 | Low | 18 Ų | 18 | 67.2 Ų | 67.2 | 15% | 0.149 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -53.5 | -43.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L791 C1517 V1518 | L791-A1514 HydrophobicContact CB-CB 4.25Å; A1514-C1517 PolarHBondContact O-N 3.32Å; A1514-V1518 WeakPolarHBondContact O-CG2 3.23Å; A1514-V1518 PolarHBondContact O-N 2.85Å |
| 1515 | F | 54.9 | Low | 59.1 | Low | 90 Ų | 90 | 66.1 Ų | 66.1 | 40% | 0.395 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | -178.7 | -167.3 | -114.7 | 0 | 0 | 0 | 112.8 | L791 L1513 C1517 V1518 L1519 | L791-F1515 HydrophobicContact CD1-CD2 4.4Å; L1513-F1515 VanDerWaalsContact C-N 3.31Å; L1513-F1515 PolarHBondContact O-N 3.36Å; F1515-C1517 VanDerWaalsContact C-N 3.32Å; F1515-C1517 PolarHBondContact O-N 3.09Å; F1515-V1518 PolarHBondContact O-N 2.87Å; F1515-L1519 HydrophobicContact CD1-CD1 3.7Å; F1515-L1519 HydrophobicContact CE1-CD1 3.56Å; F1515-L1519 HydrophobicContact CE1-CG 4.49Å; F1515-L1519 HydrophobicContact CG-CD1 4.46Å; F1515-L1519 HydrophobicContact CZ-CD1 4.22Å; F1515-L1519 PolarHBondContact O-N 3.43Å |
| 1516 | T | 63 | Low | 57.7 | Low | 85 Ų | 85 | 65.8 Ų | 65.8 | 52% | 0.521 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.4 | -37.8 | -179.9 | -47 | 0 | 0 | 0 | 0 | 112 | L1513 L1519 A1520 | L1513-T1516 PolarHBondContact O-N 3.35Å; T1516-L1519 PolarHBondContact O-N 3.21Å; T1516-A1520 PolarHBondContact O-N 3.3Å |
| 1517 | C | 58.6 | Low | 56 | Low | 27 Ų | 27 | 67.6 Ų | 67.6 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.2 | -38.5 | 178.7 | -75.5 | 0 | 0 | 0 | 0 | 113.1 | Q795 R798 L1513 A1514 F1515 A1521 | Q795-C1517 HydrophobicContact CG-CB 4.45Å; Q795-C1517 PolarHBondContact NE2-SG 3.38Å; R798-C1517 PolarHBondContact NH1-O 3.46Å; R798-C1517 VanDerWaalsContact NH2-CB 3.33Å; R798-C1517 PolarHBondContact NH2-SG 3.46Å; L1513-C1517 PolarHBondContact O-N 2.93Å; A1514-C1517 PolarHBondContact O-N 3.32Å; F1515-C1517 VanDerWaalsContact C-N 3.32Å; F1515-C1517 PolarHBondContact O-N 3.09Å; C1517-A1521 PolarHBondContact O-N 3.09Å |
| 1518 | V | 61.6 | Low | 54.4 | Low | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -79 | -31.8 | 178.7 | -168.2 | 0 | 0 | 0 | 0 | 111.6 | L791 F794 A837 L840 V841 A1514 F1515 A1521 A1522 | L791-V1518 HydrophobicContact CD2-CB 3.94Å; L791-V1518 HydrophobicContact CD2-CG1 4.35Å; L791-V1518 HydrophobicContact CD2-CG2 3.47Å; L791-V1518 VanDerWaalsContact CD2-CG2 3.47Å; F794-V1518 HydrophobicContact CD1-CB 4.36Å; F794-V1518 HydrophobicContact CD1-CG1 4.15Å; F794-V1518 HydrophobicContact CD1-CG2 3.39Å; F794-V1518 HydrophobicContact CE1-CB 4.29Å; F794-V1518 HydrophobicContact CE1-CG1 3.98Å; F794-V1518 HydrophobicContact CE1-CG2 3.71Å; F794-V1518 HydrophobicContact CG-CG2 4.29Å; F794-V1518 HydrophobicContact CZ-CG1 4.42Å; A837-V1518 HydrophobicContact CB-CG1 3.72Å; A837-V1518 WeakPolarHBondContact O-CG1 3.1Å; L840-V1518 HydrophobicContact CD2-CG1 4.35Å; V841-V1518 HydrophobicContact CG2-CB 4.19Å; V841-V1518 HydrophobicContact CG2-CG1 3.79Å; A1514-V1518 WeakPolarHBondContact O-CG2 3.23Å; A1514-V1518 PolarHBondContact O-N 2.85Å; F1515-V1518 PolarHBondContact O-N 2.87Å; V1518-A1521 PolarHBondContact O-N 3.38Å; V1518-A1522 WeakPolarHBondContact O-CB 3.46Å; V1518-A1522 PolarHBondContact O-N 3.45Å |
| 1519 | L | 65.4 | Low | 53 | Low | 75 Ų | 75 | 77 Ų | 77 | 39% | 0.393 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 168.2 | -86.3 | 164 | 0 | 0 | 0 | 112.3 | V841 F1515 T1516 A1521 A1522 A1523 | V841-L1519 HydrophobicContact CG1-CD2 3.9Å; V841-L1519 HydrophobicContact CG1-CG 4.48Å; V841-L1519 HydrophobicContact CG2-CG 4.42Å; F1515-L1519 HydrophobicContact CD1-CD1 3.7Å; F1515-L1519 HydrophobicContact CE1-CD1 3.56Å; F1515-L1519 HydrophobicContact CE1-CG 4.49Å; F1515-L1519 HydrophobicContact CG-CD1 4.46Å; F1515-L1519 HydrophobicContact CZ-CD1 4.22Å; F1515-L1519 PolarHBondContact O-N 3.43Å; T1516-L1519 PolarHBondContact O-N 3.21Å; L1519-A1521 VanDerWaalsContact C-N 3.34Å; L1519-A1521 PolarHBondContact O-N 3.05Å; L1519-A1522 PolarHBondContact O-N 3.03Å; L1519-A1523 WeakPolarHBondContact O-CB 3.47Å; L1519-A1523 PolarHBondContact O-N 2.83Å |
| 1520 | A | 63.3 | Low | 51.3 | Low | 20 Ų | 20 | 74.8 Ų | 74.8 | 17% | 0.165 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1516 A1523 G1524 T1525 T1527 | T1516-A1520 PolarHBondContact O-N 3.3Å; A1520-A1523 PolarHBondContact O-N 2.92Å; A1520-G1524 PolarHBondContact O-N 3.43Å; A1520-T1525 PolarHBondContact O-N 2.89Å; A1520-T1527 HydrophobicContact CB-CG2 4.22Å |
| 1521 | A | 62.9 | Low | 50.3 | Low | 3 Ų | 3 | 73 Ų | 73 | 3% | 0.025 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F794 M812 Q834 A837 C1517 V1518 L1519 A1523 G1524 | F794-A1521 HydrophobicContact CE1-CB 4.41Å; F794-A1521 HydrophobicContact CZ-CB 4.33Å; M812-A1521 HydrophobicContact CE-CB 4.21Å; Q834-A1521 VanDerWaalsContact CD-O 3.29Å; Q834-A1521 VanDerWaalsContact CG-O 3.27Å; Q834-A1521 WeakPolarHBondContact CG-O 3.22Å; A837-A1521 HydrophobicContact CB-CB 3.8Å; C1517-A1521 PolarHBondContact O-N 3.09Å; V1518-A1521 PolarHBondContact O-N 3.38Å; L1519-A1521 VanDerWaalsContact C-N 3.34Å; L1519-A1521 PolarHBondContact O-N 3.05Å; A1521-A1523 VanDerWaalsContact C-N 3.28Å; A1521-A1523 PolarHBondContact O-N 2.9Å; A1521-G1524 PolarHBondContact O-N 3.32Å; A1521-G1524 VanDerWaalsContact O-N 3.12Å |
| 1522 | A | 66.5 | Low | 49.1 | Very low | 21 Ų | 21 | 74 Ų | 74 | 17% | 0.174 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -62.1 | -34.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q834 A837 K838 V1518 L1519 G1524 | Q834-A1522 PolarHBondContact NE2-O 3.39Å; Q834-A1522 VanDerWaalsContact NE2-O 3.13Å; A837-A1522 HydrophobicContact CB-CB 4.35Å; K838-A1522 HydrophobicContact CB-CB 4.12Å; V1518-A1522 WeakPolarHBondContact O-CB 3.46Å; V1518-A1522 PolarHBondContact O-N 3.45Å; L1519-A1522 PolarHBondContact O-N 3.03Å; A1522-G1524 PolarHBondContact O-N 3.01Å |
| 1523 | A | 66.1 | Low | 48.1 | Very low | 67 Ų | 67 | 73.6 Ų | 73.6 | 55% | 0.554 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -2.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1519 A1520 A1521 T1525 | L1519-A1523 WeakPolarHBondContact O-CB 3.47Å; L1519-A1523 PolarHBondContact O-N 2.83Å; A1520-A1523 PolarHBondContact O-N 2.92Å; A1521-A1523 VanDerWaalsContact C-N 3.28Å; A1521-A1523 PolarHBondContact O-N 2.9Å; A1523-T1525 PolarHBondContact O-N 2.67Å; A1523-T1525 VanDerWaalsContact O-N 3.08Å; A1523-T1525 PolarHBondContact O-OG1 3.35Å |
| 1524 | G | 48.2 | Very low | 46.8 | Very low | 39 Ų | 39 | 75.8 Ų | 75.8 | 40% | 0.402 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 12.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1520 A1521 A1522 T1526 | A1520-G1524 PolarHBondContact O-N 3.43Å; A1521-G1524 PolarHBondContact O-N 3.32Å; A1521-G1524 VanDerWaalsContact O-N 3.12Å; A1522-G1524 PolarHBondContact O-N 3.01Å; G1524-T1526 PolarHBondContact O-N 2.76Å |
| 1525 | T | 46.2 | Very low | 45.4 | Very low | 82 Ų | 82 | 82.9 Ų | 82.9 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | trans | -83 | 104.3 | -179.8 | -46.7 | 0 | 0 | 0 | 0 | 107.5 | A1520 A1523 T1527 | A1520-T1525 PolarHBondContact O-N 2.89Å; A1523-T1525 PolarHBondContact O-N 2.67Å; A1523-T1525 VanDerWaalsContact O-N 3.08Å; A1523-T1525 PolarHBondContact O-OG1 3.35Å; T1525-T1527 HydrophobicContact CG2-CG2 4.22Å; T1525-T1527 PolarHBondContact O-N 2.76Å | ||
| 1526 | T | 37 | Very low | 44 | Very low | 129 Ų | 129 | 82.5 Ų | 82.5 | 79% | 0.791 | 52% | 0.516 | S | S | * | . | trans | -65.4 | 83.3 | 161.2 | 51.7 | 0 | 0 | 0 | 0 | 107.9 | G1524 N1528 | G1524-T1526 PolarHBondContact O-N 2.76Å; T1526-N1528 PolarHBondContact O-N 2.62Å | ||
| 1527 | T | 32.9 | Very low | 42.7 | Very low | 80 Ų | 80 | 85.3 Ų | 85.3 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | trans | -59 | 104.4 | 165.6 | 51.2 | 0 | 0 | 0 | 0 | 106.2 | A1520 T1525 M1529 | A1520-T1527 HydrophobicContact CB-CG2 4.22Å; T1525-T1527 HydrophobicContact CG2-CG2 4.22Å; T1525-T1527 PolarHBondContact O-N 2.76Å; T1527-M1529 PolarHBondContact O-N 2.83Å | ||
| 1528 | N | 31.7 | Very low | 41.4 | Very low | 137 Ų | 137 | 89.9 Ų | 89.9 | 73% | 0.733 | 56% | 0.556 | S | S | * | * | trans | -45.9 | 134.4 | 165 | -85.5 | -26.7 | 0 | 0 | 0 | 107.2 | T1526 V1530 | T1526-N1528 PolarHBondContact O-N 2.62Å; N1528-V1530 HydrophobicContact CB-CG2 3.88Å; N1528-V1530 PolarHBondContact O-N 3.38Å | ||
| 1529 | M | 31.4 | Very low | 39.7 | Very low | 165 Ų | 165 | 95.2 Ų | 95.2 | 81% | 0.813 | 59% | 0.585 | S | S | * | * | trans | -70.2 | 69.6 | 166.9 | -80.1 | -73.5 | 173.6 | 0 | 0 | 108.2 | T1527 A1531 | T1527-M1529 PolarHBondContact O-N 2.83Å; M1529-A1531 PolarHBondContact O-N 3.01Å | ||
| 1530 | V | 28.5 | Very low | 37.7 | Very low | 112 Ų | 112 | 98.4 Ų | 98.4 | 68% | 0.679 | 60% | 0.602 | S | S | * | * | trans | -65.3 | 94.4 | 165.9 | 178.3 | 0 | 0 | 0 | 0 | 105 | N1528 | N1528-V1530 HydrophobicContact CB-CG2 3.88Å; N1528-V1530 PolarHBondContact O-N 3.38Å | ||
| 1531 | A | 28.8 | Very low | 36.1 | Very low | 85 Ų | 85 | 101.8 Ų | 101.8 | 70% | 0.702 | 62% | 0.624 | S | S | * | * | trans | -44.8 | 143.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | M1529 | M1529-A1531 PolarHBondContact O-N 3.01Š| ||
| 1532 | A | 26.2 | Very low | 34.9 | Very low | 89 Ų | 89 | 106.7 Ų | 106.7 | 74% | 0.736 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -43.1 | 131.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1534 | A1532-L1534 PolarHBondContact O-N 2.8Š|
| 1533 | P | 28.6 | Very low | 33.1 | Very low | 114 Ų | 114 | 111.2 Ų | 111.2 | 74% | 0.74 | 68% | 0.681 | S | S | * | * | trans | -56.8 | 135.3 | -166.9 | 22.7 | -34.2 | 0 | 0 | 0 | 110.9 | I1535 | P1533-I1535 PolarHBondContact O-N 2.94Š| ||
| 1534 | L | 23.8 | Very low | 31.3 | Very low | 154 Ų | 154 | 115 Ų | 115 | 81% | 0.806 | 69% | 0.692 | S | S | * | * | trans | -58.6 | 104.5 | -174.7 | -73.6 | 167.5 | 0 | 0 | 0 | 111.4 | A1532 S1536 | A1532-L1534 PolarHBondContact O-N 2.8Å; L1534-S1536 WeakPolarHBondContact O-CB 3.27Å; L1534-S1536 PolarHBondContact O-N 3.39Å; L1534-S1536 PolarHBondContact O-OG 2.93Å | ||
| 1535 | I | 28.9 | Very low | 30.4 | Very low | 167 Ų | 167 | 117 Ų | 117 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | trans | -74.4 | 80.5 | 134.4 | -56.4 | 178.9 | 0 | 0 | 0 | 104.2 | P1533 | P1533-I1535 PolarHBondContact O-N 2.94Š| ||
| 1536 | S | 25.1 | Very low | 29.8 | Very low | 82 Ų | 82 | 117 Ų | 117 | 57% | 0.573 | 71% | 0.712 | S | S | * | * | 58.7 | 97.7 | 80.3 | -64.6 | 0 | 0 | 0 | 0 | 110.5 | L1534 | L1534-S1536 WeakPolarHBondContact O-CB 3.27Å; L1534-S1536 PolarHBondContact O-N 3.39Å; L1534-S1536 PolarHBondContact O-OG 2.93Å | |||
| 1537 | L | 35.5 | Very low | 29.6 | Very low | 144 Ų | 144 | 119.3 Ų | 119.3 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | trans | -58.7 | 150.3 | 157.8 | -66.1 | 77 | 0 | 0 | 0 | 108.1 | N1539 | L1537-N1539 HydrophobicContact CB-CB 4.04Å; L1537-N1539 HydrophobicContact CD2-CB 4.26Å | ||
| 1538 | P | 30.1 | Very low | 29.4 | Very low | 122 Ų | 122 | 122.3 Ų | 122.3 | 79% | 0.792 | 72% | 0.72 | S | S | * | * | -113.4 | 133.9 | 84.7 | 32.6 | -33.1 | 0 | 0 | 0 | 111.6 | |||||
| 1539 | N | 26.9 | Very low | 29.5 | Very low | 113 Ų | 113 | 121 Ų | 121 | 60% | 0.604 | 72% | 0.717 | S | S | * | * | cis | 76 | 151.2 | 39.2 | -161.5 | 21.1 | 0 | 0 | 0 | 113.6 | L1537 | L1537-N1539 HydrophobicContact CB-CB 4.04Å; L1537-N1539 HydrophobicContact CD2-CB 4.26Å | ||
| 1540 | L | 24.2 | Very low | 29.5 | Very low | 142 Ų | 142 | 118 Ų | 118 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | trans | 81.9 | 103.2 | -173 | -49 | 176.9 | 0 | 0 | 0 | 112.9 | ||||
| 1541 | S | 29.3 | Very low | 29.6 | Very low | 90 Ų | 90 | 121.5 Ų | 121.5 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | cis | 68.6 | 160.8 | 25 | 104.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1542 | P | 37.8 | Very low | 29.8 | Very low | 106 Ų | 106 | 124.4 Ų | 124.4 | 69% | 0.688 | 71% | 0.708 | S | S | * | * | cis | -137.2 | -152.4 | -1.9 | 30.6 | -5.1 | 0 | 0 | 0 | 112.9 | ||||
| 1543 | V | 27.9 | Very low | 29.8 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 70% | 0.703 | 70% | 0.701 | S | S | * | * | trans | 73.7 | 135.2 | 154.6 | 169.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1544 | D | 29.5 | Very low | 29.7 | Very low | 147 Ų | 147 | 125.3 Ų | 125.3 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | cis | -162.9 | -178.1 | -17.8 | -101.3 | -15.5 | 0 | 0 | 0 | 106.1 | ||||
| 1545 | A | 29.1 | Very low | 29.9 | Very low | 82 Ų | 82 | 121.4 Ų | 121.4 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | cis | -155.5 | 157.6 | 17.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1546 | A | 32.4 | Very low | 29.8 | Very low | 80 Ų | 80 | 120.2 Ų | 120.2 | 66% | 0.661 | 70% | 0.697 | S | S | * | * | trans | 41.6 | 139.7 | 132.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1547 | K | 32.4 | Very low | 29.9 | Very low | 179 Ų | 179 | 123.1 Ų | 123.1 | 78% | 0.778 | 71% | 0.705 | S | S | * | * | -150 | 137.5 | 51.1 | -88.3 | -166.3 | 174.3 | -175.1 | 0 | 113.4 | |||||
| 1548 | Q | 30.4 | Very low | 29.5 | Very low | 143 Ų | 143 | 119.5 Ų | 119.5 | 67% | 0.668 | 70% | 0.702 | S | S | * | * | 79.3 | 124.7 | 72.7 | -145 | 133.2 | 63.9 | 0 | 0 | 110 | |||||
| 1549 | T | 33 | Very low | 29.3 | Very low | 109 Ų | 109 | 122.1 Ų | 122.1 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | cis | -159.7 | -151.1 | 3.1 | -3.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1550 | D | 30.7 | Very low | 29.1 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 55% | 0.551 | 71% | 0.711 | S | S | * | * | cis | -165.5 | 161.7 | 9.7 | -121.6 | -3.3 | 0 | 0 | 0 | 108.4 | ||||
| 1551 | R | 31.7 | Very low | 29.2 | Very low | 185 Ų | 185 | 121 Ų | 121 | 70% | 0.698 | 72% | 0.717 | S | S | * | * | cis | -167 | 144 | -19.7 | -145.1 | -173.5 | -74.2 | -146.2 | -5.1 | 110.4 | ||||
| 1552 | I | 31.7 | Very low | 29 | Very low | 146 Ų | 146 | 120.1 Ų | 120.1 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | trans | 65.2 | 149.7 | 141.8 | -86.2 | 169.5 | 0 | 0 | 0 | 120.7 | ||||
| 1553 | S | 26.3 | Very low | 28.4 | Very low | 86 Ų | 86 | 121 Ų | 121 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | cis | -179.1 | 163.4 | -29.7 | -102.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1554 | T | 27.2 | Very low | 29 | Very low | 136 Ų | 136 | 121 Ų | 121 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | 57.5 | 146 | 150.6 | 48.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1555 | G | 28.2 | Very low | 29.1 | Very low | 72 Ų | 72 | 119.6 Ų | 119.6 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | cis | 152.4 | 172.5 | 13.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1556 | L | 26.7 | Very low | 29 | Very low | 142 Ų | 142 | 123.1 Ų | 123.1 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | cis | -161.8 | 160.8 | -4.6 | -94.9 | 167.6 | 0 | 0 | 0 | 107 | ||||
| 1557 | I | 27.4 | Very low | 28.7 | Very low | 142 Ų | 142 | 126.1 Ų | 126.1 | 73% | 0.728 | 75% | 0.745 | S | S | * | * | trans | 35.9 | 123.8 | 149.3 | -49.3 | 156.6 | 0 | 0 | 0 | 117.5 | E1559 | I1557-E1559 HydrophobicContact CG2-CG 4.47Š| ||
| 1558 | G | 26.8 | Very low | 28.3 | Very low | 68 Ų | 68 | 120.8 Ų | 120.8 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | cis | 113 | 161.3 | 40 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1559 | E | 24.8 | Very low | 28.2 | Very low | 178 Ų | 178 | 121.8 Ų | 121.8 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | cis | -157.1 | -165.2 | -1 | -66.1 | -161.6 | 53.8 | 0 | 0 | 110.8 | I1557 | I1557-E1559 HydrophobicContact CG2-CG 4.47Š| ||
| 1560 | S | 24.5 | Very low | 27.7 | Very low | 106 Ų | 106 | 121.7 Ų | 121.7 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | trans | 68.2 | 114.5 | 156.7 | 70.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1561 | S | 24.7 | Very low | 27.7 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | 66.9 | 136.4 | 141.9 | 67.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1562 | G | 25.3 | Very low | 27.4 | Very low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | 122.2 | 104.7 | 151 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1563 | S | 25.2 | Very low | 27.5 | Very low | 125 Ų | 125 | 119.2 Ų | 119.2 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | 29.8 | 135.2 | 141.5 | -49.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1564 | S | 40.4 | Very low | 27.5 | Very low | 115 Ų | 115 | 118.1 Ų | 118.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -60.3 | 155.2 | 159.2 | -38.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1565 | P | 31.5 | Very low | 27.7 | Very low | 119 Ų | 119 | 119.1 Ų | 119.1 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | -126.3 | 174.8 | 57.4 | 11 | 14.9 | 0 | 0 | 0 | 114 | |||||
| 1566 | L | 27.2 | Very low | 27.5 | Very low | 156 Ų | 156 | 118.8 Ų | 118.8 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | cis | 88.4 | 140.4 | 35.1 | -134.5 | 174.9 | 0 | 0 | 0 | 114.2 | ||||
| 1567 | I | 26.4 | Very low | 27.6 | Very low | 143 Ų | 143 | 124 Ų | 124 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | 80.8 | 139 | -178.5 | -48.5 | 168.9 | 0 | 0 | 0 | 113.3 | H1569 | I1567-H1569 WeakPolarHBondContact CG2-NE2 3.15Š| ||
| 1568 | G | 24.7 | Very low | 27.7 | Very low | 67 Ų | 67 | 123.6 Ų | 123.6 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | cis | -174.5 | -175.6 | -2.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1569 | H | 27.7 | Very low | 28.3 | Very low | 163 Ų | 163 | 125.6 Ų | 125.6 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | cis | -160.7 | 157.7 | 8.6 | -83.5 | -93.8 | 0 | 0 | 0 | 111.2 | I1567 | I1567-H1569 WeakPolarHBondContact CG2-NE2 3.15Š| ||
| 1570 | S | 23 | Very low | 28.6 | Very low | 107 Ų | 107 | 123.1 Ų | 123.1 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 62.9 | 153.7 | 148.9 | 61.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1571 | T | 29.9 | Very low | 28.8 | Very low | 128 Ų | 128 | 124.6 Ų | 124.6 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | cis | -151.7 | 161.3 | 21.7 | -33.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1572 | T | 26.7 | Very low | 29 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | trans | -74.4 | -177 | 162.7 | 48.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1573 | P | 34.1 | Very low | 29 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | cis | -122.9 | -158.8 | 0.9 | 45.6 | -29.3 | 0 | 0 | 0 | 112.1 | ||||
| 1574 | G | 25.7 | Very low | 29.5 | Very low | 63 Ų | 63 | 127.8 Ų | 127.8 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | cis | 148.7 | 173.5 | -10.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1575 | V | 31.7 | Very low | 28.8 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 95% | 0.952 | 77% | 0.769 | S | S | * | * | trans | 71.6 | 145 | -179.9 | -168.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1576 | G | 24.1 | Very low | 28.5 | Very low | 64 Ų | 64 | 127.1 Ų | 127.1 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | cis | 145.7 | 124.4 | -15.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1577 | R | 28.4 | Very low | 28.4 | Very low | 253 Ų | 253 | 125.4 Ų | 125.4 | 96% | 0.955 | 77% | 0.767 | S | S | * | * | trans | 90.6 | 161.9 | 167.3 | -66.8 | -175.7 | 166 | 176.2 | -4 | 120.5 | ||||
| 1578 | T | 29.9 | Very low | 28.4 | Very low | 132 Ų | 132 | 127 Ų | 127 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -132.6 | -162.2 | -163.9 | 57.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1579 | P | 39 | Very low | 28.6 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | cis | -138.7 | -157.2 | -3.2 | 36.3 | -11.6 | 0 | 0 | 0 | 115.5 | ||||
| 1580 | V | 31.2 | Very low | 28.5 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | 81.4 | 138.2 | 162 | 161.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1581 | N | 27.9 | Very low | 28.8 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | -158.1 | 163 | -1 | -128.1 | 6.4 | 0 | 0 | 0 | 116.4 | ||||
| 1582 | V | 30.2 | Very low | 28.7 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | trans | 48.1 | 137 | 145.2 | 174.6 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1583 | L | 25.1 | Very low | 28.9 | Very low | 154 Ų | 154 | 128.2 Ų | 128.2 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -61.5 | 175.6 | 175.5 | -103.8 | 62.7 | 0 | 0 | 0 | 117.1 | ||||
| 1584 | P | 35.3 | Very low | 28.7 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -128.3 | -159.4 | 3.7 | 28.7 | -2.6 | 0 | 0 | 0 | 112.5 | ||||
| 1585 | T | 25.6 | Very low | 29.2 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | cis | -148.5 | 152.8 | 10.1 | 41.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1586 | S | 24 | Very low | 29.3 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | trans | 58 | 143.8 | 151.2 | 62.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1587 | S | 26 | Very low | 30.2 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | 66.1 | 68.8 | 158.4 | -54.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1588 | N | 26.8 | Very low | 30.9 | Very low | 175 Ų | 175 | 120.3 Ų | 120.3 | 94% | 0.936 | 74% | 0.74 | S | S | * | * | trans | -93.4 | 151.4 | 171.5 | -103.4 | -11.3 | 0 | 0 | 0 | 113.6 | ||||
| 1589 | A | 27.6 | Very low | 31.5 | Very low | 86 Ų | 86 | 118.1 Ų | 118.1 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | trans | -129.8 | -160.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1590 | L | 27.3 | Very low | 32 | Very low | 160 Ų | 160 | 118.1 Ų | 118.1 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | trans | 73.3 | 117.7 | 169.1 | -98.6 | 71.3 | 0 | 0 | 0 | 119 | H1592 | L1590-H1592 PolarHBondContact O-N 2.9Š| ||
| 1591 | V | 27.9 | Very low | 32.8 | Very low | 120 Ų | 120 | 115.6 Ų | 115.6 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | trans | -42.3 | 116.1 | 133.8 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1592 | H | 28.9 | Very low | 33.7 | Very low | 176 Ų | 176 | 111.5 Ų | 111.5 | 82% | 0.815 | 68% | 0.681 | S | S | * | * | -177.4 | 118 | 122.3 | -103.6 | -72.3 | 0 | 0 | 0 | 112.9 | L1590 | L1590-H1592 PolarHBondContact O-N 2.9Š| |||
| 1593 | G | 30.7 | Very low | 34.4 | Very low | 74 Ų | 74 | 111.8 Ų | 111.8 | 76% | 0.763 | 68% | 0.678 | S | S | * | * | trans | 54.5 | 111.1 | 147 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1594 | I | 29.3 | Very low | 35.6 | Very low | 127 Ų | 127 | 107.2 Ų | 107.2 | 65% | 0.651 | 66% | 0.656 | S | S | * | * | trans | -132.3 | 137.9 | 145.7 | -51.4 | 177.2 | 0 | 0 | 0 | 109 | ||||
| 1595 | T | 37.2 | Very low | 36.3 | Very low | 142 Ų | 142 | 108.9 Ų | 108.9 | 87% | 0.871 | 65% | 0.648 | S | S | * | * | trans | -122.8 | 107.9 | 175.4 | 40.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1596 | S | 32.6 | Very low | 37.2 | Very low | 51 Ų | 51 | 105.2 Ų | 105.2 | 36% | 0.357 | 63% | 0.629 | S | S | . | * | trans | -158.2 | 150.3 | 162.5 | 74.1 | 0 | 0 | 0 | 0 | 112.3 | A1598 Q1599 | S1596-A1598 PolarHBondContact O-N 2.83Å; S1596-Q1599 PolarHBondContact O-N 2.84Å | ||
| 1597 | P | 44.2 | Very low | 38.2 | Very low | 110 Ų | 110 | 106.8 Ų | 106.8 | 71% | 0.714 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -59.6 | -29.8 | 177.2 | -25.1 | 35 | 0 | 0 | 0 | 113.8 | Q1599 I1600 D1601 | P1597-Q1599 VanDerWaalsContact C-N 3.26Å; P1597-Q1599 PolarHBondContact O-N 3.34Å; P1597-I1600 PolarHBondContact O-N 2.83Å; P1597-D1601 PolarHBondContact O-N 2.86Å |
| 1598 | A | 41.6 | Very low | 39.4 | Very low | 71 Ų | 71 | 106 Ų | 106 | 59% | 0.587 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.4 | -23.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1596 A1602 | S1596-A1598 PolarHBondContact O-N 2.83Å; A1598-A1602 WeakPolarHBondContact O-CB 3.22Å; A1598-A1602 PolarHBondContact O-N 2.99Å |
| 1599 | Q | 42.4 | Very low | 40 | Very low | 86 Ų | 86 | 104.5 Ų | 104.5 | 40% | 0.402 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -87.3 | -26.2 | 174.8 | -76.9 | 177.4 | -28.1 | 0 | 0 | 113 | S1596 P1597 L1603 | S1596-Q1599 PolarHBondContact O-N 2.84Å; P1597-Q1599 VanDerWaalsContact C-N 3.26Å; P1597-Q1599 PolarHBondContact O-N 3.34Å; Q1599-L1603 PolarHBondContact O-N 2.78Å |
| 1600 | I | 49.9 | Very low | 40.5 | Very low | 111 Ų | 111 | 107 Ų | 107 | 57% | 0.569 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.8 | -49.7 | 164.6 | -62.2 | 173.2 | 0 | 0 | 0 | 108.3 | P1597 A1602 L1603 T1604 | P1597-I1600 PolarHBondContact O-N 2.83Å; I1600-A1602 VanDerWaalsContact C-N 3.29Å; I1600-A1602 PolarHBondContact O-N 3.32Å; I1600-L1603 PolarHBondContact O-N 2.9Å; I1600-L1603 VanDerWaalsContact O-N 3.07Å; I1600-T1604 PolarHBondContact O-N 3.37Å; I1600-T1604 PolarHBondContact O-OG1 3.31Å; I1600-T1604 VanDerWaalsContact O-OG1 3.07Å |
| 1601 | D | 48.6 | Very low | 41 | Very low | 73 Ų | 73 | 104.2 Ų | 104.2 | 39% | 0.39 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.6 | -34.2 | 178 | -163.5 | 60.5 | 0 | 0 | 0 | 112.8 | P1597 R1605 | P1597-D1601 PolarHBondContact O-N 2.86Å; D1601-R1605 WeakPolarHBondContact O-CB 2.96Å; D1601-R1605 WeakPolarHBondContact O-CG 3.32Å; D1601-R1605 PolarHBondContact O-N 3.05Å; D1601-R1605 IonicContact OD2-CZ 2.66Å; D1601-R1605 IonicContact OD2-NE 2.72Å; D1601-R1605 PolarHBondContact OD2-NE 2.99Å; D1601-R1605 IonicContact OD2-NH2 3.45Å; D1601-R1605 PolarHBondContact OD2-NH2 3.16Å |
| 1602 | A | 46.6 | Very low | 41.1 | Very low | 51 Ų | 51 | 103.3 Ų | 103.3 | 42% | 0.421 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.4 | -38.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1598 I1600 R1605 A1606 | A1598-A1602 WeakPolarHBondContact O-CB 3.22Å; A1598-A1602 PolarHBondContact O-N 2.99Å; I1600-A1602 VanDerWaalsContact C-N 3.29Å; I1600-A1602 PolarHBondContact O-N 3.32Å; A1602-R1605 PolarHBondContact O-N 3.08Å; A1602-A1606 WeakPolarHBondContact O-CB 3.42Å; A1602-A1606 PolarHBondContact O-N 2.83Å |
| 1603 | L | 44.8 | Very low | 41.2 | Very low | 128 Ų | 128 | 102.5 Ų | 102.5 | 67% | 0.67 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.4 | -39.3 | 173.7 | -79.8 | 166.2 | 0 | 0 | 0 | 111.7 | Q1599 I1600 A1606 F1607 | Q1599-L1603 PolarHBondContact O-N 2.78Å; I1600-L1603 PolarHBondContact O-N 2.9Å; I1600-L1603 VanDerWaalsContact O-N 3.07Å; L1603-A1606 PolarHBondContact O-N 2.99Å; L1603-F1607 WeakPolarHBondContact O-CB 3.41Å; L1603-F1607 PolarHBondContact O-N 2.89Å |
| 1604 | T | 51.2 | Low | 41.1 | Very low | 58 Ų | 58 | 110 Ų | 110 | 36% | 0.356 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.3 | -45.7 | 172.4 | -58 | 0 | 0 | 0 | 0 | 111 | I1600 F1607 I1608 | I1600-T1604 PolarHBondContact O-N 3.37Å; I1600-T1604 PolarHBondContact O-OG1 3.31Å; I1600-T1604 VanDerWaalsContact O-OG1 3.07Å; T1604-F1607 PolarHBondContact O-N 3.28Å; T1604-I1608 HydrophobicContact CG2-CD1 3.98Å; T1604-I1608 WeakPolarHBondContact O-CD1 3.17Å; T1604-I1608 VanDerWaalsContact O-CG1 3.25Å; T1604-I1608 WeakPolarHBondContact O-CG1 3.33Å; T1604-I1608 PolarHBondContact O-N 2.93Å |
| 1605 | R | 48.6 | Very low | 41.1 | Very low | 148 Ų | 148 | 110.2 Ų | 110.2 | 56% | 0.558 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.1 | -45.9 | 174.2 | -70.6 | 170 | -161.7 | -138.7 | 8.3 | 112.3 | D1601 A1602 F1607 I1608 E1609 | D1601-R1605 WeakPolarHBondContact O-CB 2.96Å; D1601-R1605 WeakPolarHBondContact O-CG 3.32Å; D1601-R1605 PolarHBondContact O-N 3.05Å; D1601-R1605 IonicContact OD2-CZ 2.66Å; D1601-R1605 IonicContact OD2-NE 2.72Å; D1601-R1605 PolarHBondContact OD2-NE 2.99Å; D1601-R1605 IonicContact OD2-NH2 3.45Å; D1601-R1605 PolarHBondContact OD2-NH2 3.16Å; A1602-R1605 PolarHBondContact O-N 3.08Å; R1605-F1607 VanDerWaalsContact C-N 3.3Å; R1605-F1607 PolarHBondContact O-N 2.72Å; R1605-I1608 PolarHBondContact O-N 3.18Å; R1605-I1608 VanDerWaalsContact O-N 3.14Å; R1605-E1609 WeakPolarHBondContact O-CB 3.5Å; R1605-E1609 WeakPolarHBondContact O-CG 3.43Å; R1605-E1609 PolarHBondContact O-N 3.34Å |
| 1606 | A | 45.8 | Very low | 40.6 | Very low | 39 Ų | 39 | 107.4 Ų | 107.4 | 32% | 0.322 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.3 | -33.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | A1602 L1603 N1610 | A1602-A1606 WeakPolarHBondContact O-CB 3.42Å; A1602-A1606 PolarHBondContact O-N 2.83Å; L1603-A1606 PolarHBondContact O-N 2.99Å; A1606-N1610 WeakPolarHBondContact O-CB 3.24Å; A1606-N1610 PolarHBondContact O-N 2.64Å; A1606-N1610 PolarHBondContact O-ND2 3.2Å |
| 1607 | F | 45 | Very low | 40.5 | Very low | 137 Ų | 137 | 114.5 Ų | 114.5 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72 | -34 | 174.5 | -169.4 | -96.6 | 0 | 0 | 0 | 112.6 | L1603 T1604 R1605 N1611 | L1603-F1607 WeakPolarHBondContact O-CB 3.41Å; L1603-F1607 PolarHBondContact O-N 2.89Å; T1604-F1607 PolarHBondContact O-N 3.28Å; R1605-F1607 VanDerWaalsContact C-N 3.3Å; R1605-F1607 PolarHBondContact O-N 2.72Å; F1607-N1611 PolarHBondContact O-ND2 2.94Å |
| 1608 | I | 49.6 | Very low | 40 | Very low | 104 Ų | 104 | 119.3 Ų | 119.3 | 53% | 0.533 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.7 | -48.3 | 172.8 | -71.1 | 165.8 | 0 | 0 | 0 | 110.7 | T1604 R1605 N1611 V1612 | T1604-I1608 HydrophobicContact CG2-CD1 3.98Å; T1604-I1608 WeakPolarHBondContact O-CD1 3.17Å; T1604-I1608 VanDerWaalsContact O-CG1 3.25Å; T1604-I1608 WeakPolarHBondContact O-CG1 3.33Å; T1604-I1608 PolarHBondContact O-N 2.93Å; R1605-I1608 PolarHBondContact O-N 3.18Å; R1605-I1608 VanDerWaalsContact O-N 3.14Å; I1608-N1611 PolarHBondContact O-N 3Å; I1608-V1612 WeakPolarHBondContact O-CG2 3.09Å |
| 1609 | E | 40.6 | Very low | 39.6 | Very low | 142 Ų | 142 | 127.4 Ų | 127.4 | 66% | 0.664 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.6 | -35.6 | -173.8 | -72.2 | 175.2 | 164.6 | 0 | 0 | 112.9 | R1605 N1611 | R1605-E1609 WeakPolarHBondContact O-CB 3.5Å; R1605-E1609 WeakPolarHBondContact O-CG 3.43Å; R1605-E1609 PolarHBondContact O-N 3.34Å; E1609-N1611 VanDerWaalsContact C-N 3.29Å; E1609-N1611 PolarHBondContact O-N 2.68Å |
| 1610 | N | 37.6 | Very low | 39.3 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 75% | 0.749 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -1.6 | 179.6 | -74.7 | -79.7 | 0 | 0 | 0 | 115.2 | A1606 | A1606-N1610 WeakPolarHBondContact O-CB 3.24Å; A1606-N1610 PolarHBondContact O-N 2.64Å; A1606-N1610 PolarHBondContact O-ND2 3.2Å |
| 1611 | N | 37.1 | Very low | 39.1 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 54% | 0.535 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.8 | -0.1 | 178.2 | -83.5 | -66.2 | 0 | 0 | 0 | 114.4 | F1607 I1608 E1609 | F1607-N1611 PolarHBondContact O-ND2 2.94Å; I1608-N1611 PolarHBondContact O-N 3Å; E1609-N1611 VanDerWaalsContact C-N 3.29Å; E1609-N1611 PolarHBondContact O-N 2.68Å |
| 1612 | V | 31.4 | Very low | 39.4 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 62% | 0.618 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -75 | -30 | -171 | 167.6 | 0 | 0 | 0 | 0 | 114.1 | I1608 R1614 | I1608-V1612 WeakPolarHBondContact O-CG2 3.09Å; V1612-R1614 VanDerWaalsContact C-N 3.27Å; V1612-R1614 PolarHBondContact O-N 3.13Å |
| 1613 | D | 31.4 | Very low | 40.3 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -82.8 | 10.7 | -173.4 | -72.3 | -29.7 | 0 | 0 | 0 | 115.2 | ||
| 1614 | R | 28.7 | Very low | 41.5 | Very low | 231 Ų | 231 | 145 Ų | 145 | 87% | 0.872 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -135 | 48.6 | -178.8 | -70.8 | -171.2 | 173.8 | -176 | -1.1 | 115.4 | V1612 | V1612-R1614 VanDerWaalsContact C-N 3.27Å; V1612-R1614 PolarHBondContact O-N 3.13Å |
| 1615 | T | 27.5 | Very low | 42.9 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | trans | -169.2 | 72.3 | 152.6 | 15 | 0 | 0 | 0 | 0 | 113.8 | K1617 | T1615-K1617 VanDerWaalsContact C-N 3.31Å; T1615-K1617 PolarHBondContact O-N 2.89Å | ||
| 1616 | G | 26.8 | Very low | 44.8 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 86% | 0.856 | 68% | 0.682 | S | S | * | * | trans | -72.9 | 61.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1617 | K | 30.6 | Very low | 46.9 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 87% | 0.87 | 67% | 0.666 | S | S | * | * | trans | -162.3 | 79.8 | 169.3 | -108 | 152.8 | -170.8 | 172 | 0 | 113.3 | T1615 R1619 | T1615-K1617 VanDerWaalsContact C-N 3.31Å; T1615-K1617 PolarHBondContact O-N 2.89Å; K1617-R1619 PolarHBondContact O-N 3.45Å | ||
| 1618 | K | 34 | Very low | 49.2 | Very low | 211 Ų | 211 | 134.1 Ų | 134.1 | 92% | 0.917 | 65% | 0.651 | S | S | * | * | trans | -62.7 | 125.9 | 175.5 | -72 | -176.1 | 176.2 | -179.7 | 0 | 111.9 | K1620 | K1618-K1620 PolarHBondContact O-N 2.8Š| ||
| 1619 | R | 33.8 | Very low | 51.2 | Low | 242 Ų | 242 | 133 Ų | 133 | 91% | 0.913 | 65% | 0.649 | S | S | * | * | trans | -63.3 | 129.9 | 168.2 | -74.3 | 179.5 | 171.4 | 171.7 | -0.8 | 109.5 | K1617 I1621 | K1617-R1619 PolarHBondContact O-N 3.45Å; R1619-I1621 PolarHBondContact O-N 3.41Å; R1619-I1621 VanDerWaalsContact O-N 3.16Å | ||
| 1620 | K | 36.7 | Very low | 53.6 | Low | 208 Ų | 208 | 128 Ų | 128 | 90% | 0.904 | 63% | 0.626 | S | S | * | * | trans | -75.2 | 101.3 | 176.5 | -72 | -179.4 | 178.7 | 175.1 | 0 | 110.4 | K1618 | K1618-K1620 PolarHBondContact O-N 2.8Š| ||
| 1621 | I | 45 | Very low | 56.3 | Low | 134 Ų | 134 | 122.1 Ų | 122.1 | 69% | 0.687 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 138.1 | 165.3 | -61.8 | 173.4 | 0 | 0 | 0 | 108.5 | R1619 K1623 | R1619-I1621 PolarHBondContact O-N 3.41Å; R1619-I1621 VanDerWaalsContact O-N 3.16Å; I1621-K1623 PolarHBondContact O-N 3.37Å |
| 1622 | R | 54.3 | Low | 59 | Low | 226 Ų | 226 | 117.6 Ų | 117.6 | 85% | 0.853 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 130.2 | 177.4 | -75.7 | -174.2 | 172 | -167.1 | -1.2 | 109.5 | ||
| 1623 | K | 66.9 | Low | 61.7 | Low | 194 Ų | 194 | 114.7 Ų | 114.7 | 84% | 0.843 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 143.3 | 173.6 | -66.7 | -172.7 | 177.1 | -173.3 | 0 | 110.3 | I1621 | I1621-K1623 PolarHBondContact O-N 3.37Š|
| 1624 | P | 69.4 | Low | 64.5 | Low | 55 Ų | 55 | 111.4 Ų | 111.4 | 36% | 0.357 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 146.1 | 175.3 | 23.5 | -32.4 | 0 | 0 | 0 | 111.6 | R1678 M1681 | P1624-R1678 HydrophobicContact CB-CG 3.64Å; P1624-R1678 HydrophobicContact CG-CG 3.63Å; P1624-M1681 HydrophobicContact CB-CE 3.95Å; P1624-M1681 HydrophobicContact CB-SD 3.74Å; P1624-M1681 HydrophobicContact CG-CE 4.4Å |
| 1625 | P | 79.5 | Confident | 67.5 | Low | 40 Ų | 40 | 102 Ų | 102 | 26% | 0.26 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 145.6 | 176.9 | 29.9 | -34.9 | 0 | 0 | 0 | 111.6 | V1629 L1630 A1674 I1677 | P1625-V1629 HydrophobicContact CB-CB 4.01Å; P1625-V1629 HydrophobicContact CB-CG1 3.82Å; P1625-L1630 HydrophobicContact CB-CD2 4.09Å; P1625-L1630 HydrophobicContact CB-CG 4.42Å; P1625-L1630 HydrophobicContact CG-CD2 3.82Å; P1625-L1630 HydrophobicContact CG-CG 4.43Å; P1625-A1674 WeakPolarHBondContact O-CB 2.98Å; P1625-I1677 HydrophobicContact CG-CG2 4.22Å |
| 1626 | S | 89.5 | Confident | 70.6 | Confident | 44 Ų | 44 | 98.8 Ų | 98.8 | 31% | 0.308 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 168.3 | 168.8 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | Y1628 V1629 L1630 | S1626-Y1628 VanDerWaalsContact C-N 3.25Å; S1626-Y1628 PolarHBondContact O-N 2.72Å; S1626-V1629 WeakPolarHBondContact O-CB 3.48Å; S1626-V1629 PolarHBondContact O-N 3.49Å; S1626-L1630 PolarHBondContact O-N 2.9Å; S1626-L1630 VanDerWaalsContact O-N 3.11Å |
| 1627 | G | 89.6 | Confident | 73.5 | Confident | 0 Ų | 0 | 102.7 Ų | 102.7 | 0% | 0 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -58.1 | -38.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1629 L1630 Y1631 Y1670 E1671 | G1627-V1629 VanDerWaalsContact C-N 3.32Å; G1627-V1629 PolarHBondContact O-N 3.26Å; G1627-L1630 PolarHBondContact O-N 2.76Å; G1627-Y1631 WeakPolarHBondContact O-CB 3.14Å; G1627-Y1631 PolarHBondContact O-N 3.46Å; G1627-Y1670 VanDerWaalsContact CA-O 3.28Å; G1627-Y1670 WeakPolarHBondContact CA-O 3.31Å; G1627-E1671 VanDerWaalsContact CA-OE1 3.26Å; G1627-E1671 WeakPolarHBondContact CA-OE1 3.48Å; G1627-E1671 PolarHBondContact N-OE1 2.83Å |
| 1628 | Y | 92.9 | Very high | 76.2 | Confident | 71 Ų | 71 | 98.7 Ų | 98.7 | 28% | 0.278 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.9 | -37.4 | 171.9 | 177.6 | -117 | 0 | 0 | 0 | 112.9 | S1626 Y1631 A1632 V1655 W1659 | S1626-Y1628 VanDerWaalsContact C-N 3.25Å; S1626-Y1628 PolarHBondContact O-N 2.72Å; Y1628-Y1631 HydrophobicContact CD2-CD1 4.3Å; Y1628-Y1631 HydrophobicContact CE2-CD1 4.47Å; Y1628-A1632 HydrophobicContact CE2-CB 4.18Å; Y1628-A1632 WeakPolarHBondContact O-CB 3.05Å; Y1628-A1632 PolarHBondContact O-N 2.99Å; Y1628-V1655 HydrophobicContact CE2-CG1 4.16Å; Y1628-W1659 HydrophobicContact CD2-CB 3.8Å; Y1628-W1659 AromaticContact CD2-CD1 3.65Å; Y1628-W1659 AromaticContact CD2-CD2 3.61Å; Y1628-W1659 HydrophobicContact CD2-CD2 3.61Å; Y1628-W1659 AromaticContact CD2-CE2 3.99Å; Y1628-W1659 HydrophobicContact CD2-CE3 4.17Å; Y1628-W1659 AromaticContact CD2-CG 3.4Å; Y1628-W1659 HydrophobicContact CD2-CG 3.4Å; Y1628-W1659 AromaticContact CD2-NE1 3.98Å; Y1628-W1659 HydrophobicContact CE2-CB 3.8Å; Y1628-W1659 HydrophobicContact CE2-CD2 4.5Å; Y1628-W1659 AromaticContact CE2-CG 3.9Å; Y1628-W1659 HydrophobicContact CE2-CG 3.9Å; Y1628-W1659 HydrophobicContact CG-CD2 4.38Å; Y1628-W1659 HydrophobicContact CG-CG 4.39Å |
| 1629 | V | 91.5 | Very high | 78.6 | Confident | 80 Ų | 80 | 89.3 Ų | 89.3 | 49% | 0.485 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.3 | -38.4 | 179.1 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | P1625 S1626 G1627 G1633 | P1625-V1629 HydrophobicContact CB-CB 4.01Å; P1625-V1629 HydrophobicContact CB-CG1 3.82Å; S1626-V1629 WeakPolarHBondContact O-CB 3.48Å; S1626-V1629 PolarHBondContact O-N 3.49Å; G1627-V1629 VanDerWaalsContact C-N 3.32Å; G1627-V1629 PolarHBondContact O-N 3.26Å; V1629-G1633 PolarHBondContact O-N 3.1Å |
| 1630 | L | 92.4 | Very high | 80.9 | Confident | 36 Ų | 36 | 82 Ų | 82 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.9 | -50.8 | 174.4 | -60.5 | 177.3 | 0 | 0 | 0 | 111.2 | P1625 S1626 G1627 A1632 G1633 E1634 Y1670 K1673 A1674 I1677 | P1625-L1630 HydrophobicContact CB-CD2 4.09Å; P1625-L1630 HydrophobicContact CB-CG 4.42Å; P1625-L1630 HydrophobicContact CG-CD2 3.82Å; P1625-L1630 HydrophobicContact CG-CG 4.43Å; S1626-L1630 PolarHBondContact O-N 2.9Å; S1626-L1630 VanDerWaalsContact O-N 3.11Å; G1627-L1630 PolarHBondContact O-N 2.76Å; L1630-A1632 PolarHBondContact O-N 3.18Å; L1630-G1633 WeakPolarHBondContact O-CA 3.33Å; L1630-G1633 PolarHBondContact O-N 2.84Å; L1630-E1634 PolarHBondContact O-N 3.22Å; L1630-E1634 VanDerWaalsContact O-N 3.11Å; L1630-Y1670 HydrophobicContact CB-CD1 4.38Å; L1630-K1673 HydrophobicContact CD1-CB 3.72Å; L1630-A1674 HydrophobicContact CD1-CB 3.83Å; L1630-I1677 HydrophobicContact CD1-CD1 3.95Å; L1630-I1677 HydrophobicContact CD2-CD1 3.99Å |
| 1631 | Y | 94 | Very high | 83 | Confident | 17 Ų | 17 | 79.5 Ų | 79.5 | 7% | 0.067 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.6 | -45.4 | 175.8 | 171.9 | -96.2 | 0 | 0 | 0 | 112.7 | G1627 Y1628 G1633 E1634 I1635 V1655 L1658 W1659 M1662 Y1670 | G1627-Y1631 WeakPolarHBondContact O-CB 3.14Å; G1627-Y1631 PolarHBondContact O-N 3.46Å; Y1628-Y1631 HydrophobicContact CD2-CD1 4.3Å; Y1628-Y1631 HydrophobicContact CE2-CD1 4.47Å; Y1631-G1633 PolarHBondContact O-N 3.08Å; Y1631-E1634 PolarHBondContact O-N 3.37Å; Y1631-I1635 HydrophobicContact CD2-CG1 3.76Å; Y1631-I1635 HydrophobicContact CE1-CB 4.3Å; Y1631-I1635 HydrophobicContact CE1-CG1 4.23Å; Y1631-I1635 HydrophobicContact CE2-CB 4.25Å; Y1631-I1635 HydrophobicContact CE2-CD1 4.33Å; Y1631-I1635 HydrophobicContact CE2-CG1 3.3Å; Y1631-I1635 HydrophobicContact CG-CG1 4.4Å; Y1631-I1635 PolarHBondContact O-N 3.35Å; Y1631-V1655 HydrophobicContact CD1-CG1 4.28Å; Y1631-V1655 HydrophobicContact CE1-CG1 4.07Å; Y1631-L1658 WeakPolarHBondContact OH-CB 3.22Å; Y1631-W1659 HydrophobicContact CD1-CB 4.06Å; Y1631-W1659 HydrophobicContact CD1-CD2 4.21Å; Y1631-W1659 AromaticContact CD1-CE3 3.45Å; Y1631-W1659 HydrophobicContact CD1-CE3 3.45Å; Y1631-W1659 VanDerWaalsContact CD1-CE3 3.45Å; Y1631-W1659 HydrophobicContact CD1-CG 4.48Å; Y1631-W1659 HydrophobicContact CD1-CZ3 4.25Å; Y1631-W1659 HydrophobicContact CD2-CE3 4.04Å; Y1631-W1659 HydrophobicContact CD2-CZ3 4.28Å; Y1631-W1659 HydrophobicContact CE1-CB 3.76Å; Y1631-W1659 HydrophobicContact CE1-CE3 4.04Å; Y1631-W1659 AromaticContact CG-CE3 3.43Å; Y1631-W1659 HydrophobicContact CG-CE3 3.43Å; Y1631-W1659 VanDerWaalsContact CG-CE3 3.43Å; Y1631-W1659 AromaticContact CG-CZ3 3.79Å; Y1631-W1659 HydrophobicContact CG-CZ3 3.79Å; Y1631-M1662 HydrophobicContact CD1-CE 4.43Å; Y1631-M1662 HydrophobicContact CD2-CE 3.44Å; Y1631-M1662 VanDerWaalsContact CD2-CE 3.44Å; Y1631-M1662 HydrophobicContact CE1-CE 4.23Å; Y1631-M1662 HydrophobicContact CE2-CE 3.17Å; Y1631-M1662 HydrophobicContact CE2-SD 4.24Å; Y1631-M1662 HydrophobicContact CG-CE 4.06Å; Y1631-Y1670 HydrophobicContact CD2-CD2 4.1Å; Y1631-Y1670 HydrophobicContact CD2-CE1 4.26Å; Y1631-Y1670 AromaticContact CD2-CE2 3.7Å; Y1631-Y1670 HydrophobicContact CD2-CE2 3.7Å; Y1631-Y1670 AromaticContact CD2-CZ 3.79Å; Y1631-Y1670 HydrophobicContact CE2-CE2 4.46Å |
| 1632 | A | 92.6 | Very high | 84.9 | Confident | 5 Ų | 5 | 78.9 Ų | 78.9 | 4% | 0.041 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.6 | -13.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1628 L1630 R1636 V1655 | Y1628-A1632 HydrophobicContact CE2-CB 4.18Å; Y1628-A1632 WeakPolarHBondContact O-CB 3.05Å; Y1628-A1632 PolarHBondContact O-N 2.99Å; L1630-A1632 PolarHBondContact O-N 3.18Å; A1632-R1636 WeakPolarHBondContact O-CB 3.33Å; A1632-R1636 PolarHBondContact O-NH1 3.17Å; A1632-V1655 HydrophobicContact CB-CG1 3.62Å |
| 1633 | G | 88.7 | Confident | 86.4 | Confident | 42 Ų | 42 | 72.5 Ų | 72.5 | 43% | 0.433 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -74.2 | -58.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1629 L1630 Y1631 K1637 | V1629-G1633 PolarHBondContact O-N 3.1Å; L1630-G1633 WeakPolarHBondContact O-CA 3.33Å; L1630-G1633 PolarHBondContact O-N 2.84Å; Y1631-G1633 PolarHBondContact O-N 3.08Å; G1633-K1637 WeakPolarHBondContact O-CB 3.47Å; G1633-K1637 PolarHBondContact O-N 3.3Å; G1633-K1637 VanDerWaalsContact O-N 3.15Å |
| 1634 | E | 91.1 | Very high | 87.1 | Confident | 89 Ų | 89 | 67.7 Ų | 67.7 | 42% | 0.416 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.1 | -50.8 | -177.3 | -69.8 | 178.3 | -163.1 | 0 | 0 | 112.1 | L1630 Y1631 K1637 K1638 Y1670 K1673 | L1630-E1634 PolarHBondContact O-N 3.22Å; L1630-E1634 VanDerWaalsContact O-N 3.11Å; Y1631-E1634 PolarHBondContact O-N 3.37Å; E1634-K1637 PolarHBondContact O-N 3.27Å; E1634-K1638 PolarHBondContact O-N 2.85Å; E1634-K1638 VanDerWaalsContact O-N 3.13Å; E1634-Y1670 WeakPolarHBondContact OE2-CE1 3.5Å; E1634-Y1670 PolarHBondContact OE2-OH 3.4Å; E1634-K1673 IonicContact OE1-NZ 3.15Å; E1634-K1673 PolarHBondContact OE1-NZ 3.12Å; E1634-K1673 IonicContact OE2-NZ 2.62Å |
| 1635 | I | 90.5 | Very high | 87.5 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 17% | 0.174 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -78.9 | -30.3 | -174.8 | -59.5 | -49 | 0 | 0 | 0 | 113.2 | Y1631 K1637 K1638 L1639 V1655 L1658 | Y1631-I1635 HydrophobicContact CD2-CG1 3.76Å; Y1631-I1635 HydrophobicContact CE1-CB 4.3Å; Y1631-I1635 HydrophobicContact CE1-CG1 4.23Å; Y1631-I1635 HydrophobicContact CE2-CB 4.25Å; Y1631-I1635 HydrophobicContact CE2-CD1 4.33Å; Y1631-I1635 HydrophobicContact CE2-CG1 3.3Å; Y1631-I1635 HydrophobicContact CG-CG1 4.4Å; Y1631-I1635 PolarHBondContact O-N 3.35Å; I1635-K1637 VanDerWaalsContact C-N 3.29Å; I1635-K1637 PolarHBondContact O-N 2.7Å; I1635-K1638 HydrophobicContact CD1-CD 4.45Å; I1635-K1638 PolarHBondContact O-N 3.1Å; I1635-L1639 HydrophobicContact CG2-CD1 3.89Å; I1635-L1639 HydrophobicContact CG2-CG 4.2Å; I1635-L1639 WeakPolarHBondContact O-CB 3.34Å; I1635-L1639 WeakPolarHBondContact O-CG 3.5Å; I1635-L1639 PolarHBondContact O-N 3.5Å; I1635-V1655 HydrophobicContact CG2-CG2 4.26Å; I1635-L1658 HydrophobicContact CG2-CD1 4.24Å |
| 1636 | R | 92.4 | Very high | 87.3 | Confident | 64 Ų | 64 | 71.3 Ų | 71.3 | 24% | 0.242 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.8 | -35.3 | 170.1 | -168.7 | -174 | -72.7 | 121.8 | -10.6 | 110.9 | A1632 L1639 L1640 I1651 S1652 V1655 | A1632-R1636 WeakPolarHBondContact O-CB 3.33Å; A1632-R1636 PolarHBondContact O-NH1 3.17Å; R1636-L1639 PolarHBondContact O-N 2.9Å; R1636-L1640 HydrophobicContact CG-CD1 3.7Å; R1636-L1640 WeakPolarHBondContact O-CD1 3.29Å; R1636-L1640 PolarHBondContact O-N 3.02Å; R1636-I1651 HydrophobicContact CG-CG2 4.01Å; R1636-S1652 PolarHBondContact NH2-OG 2.94Å; R1636-V1655 HydrophobicContact CB-CG2 4.09Å |
| 1637 | K | 87.5 | Confident | 86.8 | Confident | 164 Ų | 164 | 73.1 Ų | 73.1 | 71% | 0.713 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.1 | -42.5 | 175.1 | -165.9 | 175.4 | -177.6 | -178.7 | 0 | 111.5 | G1633 E1634 I1635 Q1641 | G1633-K1637 WeakPolarHBondContact O-CB 3.47Å; G1633-K1637 PolarHBondContact O-N 3.3Å; G1633-K1637 VanDerWaalsContact O-N 3.15Å; E1634-K1637 PolarHBondContact O-N 3.27Å; I1635-K1637 VanDerWaalsContact C-N 3.29Å; I1635-K1637 PolarHBondContact O-N 2.7Å; K1637-Q1641 PolarHBondContact O-N 2.78Å |
| 1638 | K | 87.4 | Confident | 86.5 | Confident | 116 Ų | 116 | 79.3 Ų | 79.3 | 50% | 0.504 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.1 | -52.6 | 170.9 | -88.8 | -161.9 | 164.5 | -152.9 | 0 | 113.1 | E1634 I1635 L1640 Q1641 E1642 | E1634-K1638 PolarHBondContact O-N 2.85Å; E1634-K1638 VanDerWaalsContact O-N 3.13Å; I1635-K1638 HydrophobicContact CD1-CD 4.45Å; I1635-K1638 PolarHBondContact O-N 3.1Å; K1638-L1640 VanDerWaalsContact C-N 3.33Å; K1638-L1640 PolarHBondContact O-N 3Å; K1638-Q1641 CarbonylContact O-C 3.58Å; K1638-Q1641 WeakPolarHBondContact O-CA 2.9Å; K1638-Q1641 WeakPolarHBondContact O-CB 3.41Å; K1638-Q1641 PolarHBondContact O-N 3.15Å; K1638-E1642 PolarHBondContact O-N 3.01Å |
| 1639 | L | 85.5 | Confident | 85.8 | Confident | 14 Ų | 14 | 77.7 Ų | 77.7 | 7% | 0.073 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67.7 | -28.7 | -175.2 | -71.1 | 171.5 | 0 | 0 | 0 | 113.4 | I1635 R1636 Q1641 R1643 I1651 E1654 V1655 L1658 | I1635-L1639 HydrophobicContact CG2-CD1 3.89Å; I1635-L1639 HydrophobicContact CG2-CG 4.2Å; I1635-L1639 WeakPolarHBondContact O-CB 3.34Å; I1635-L1639 WeakPolarHBondContact O-CG 3.5Å; I1635-L1639 PolarHBondContact O-N 3.5Å; R1636-L1639 PolarHBondContact O-N 2.9Å; L1639-Q1641 VanDerWaalsContact C-N 3.26Å; L1639-Q1641 PolarHBondContact O-N 2.73Å; L1639-R1643 WeakPolarHBondContact O-CA 3.34Å; L1639-R1643 WeakPolarHBondContact O-CB 3.4Å; L1639-R1643 PolarHBondContact O-N 3.42Å; L1639-I1651 HydrophobicContact CB-CG2 3.56Å; L1639-I1651 HydrophobicContact CD1-CG2 4.1Å; L1639-E1654 HydrophobicContact CD1-CB 4.43Å; L1639-E1654 HydrophobicContact CD1-CG 4.09Å; L1639-V1655 HydrophobicContact CD1-CG2 3.81Å; L1639-L1658 HydrophobicContact CD1-CD1 3.96Å |
| 1640 | L | 80.9 | Confident | 85.6 | Confident | 88 Ų | 88 | 77.7 Ų | 77.7 | 46% | 0.461 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.8 | -25.9 | 167.9 | -101.1 | 89.7 | 0 | 0 | 0 | 113 | R1636 K1638 P1644 I1651 | R1636-L1640 HydrophobicContact CG-CD1 3.7Å; R1636-L1640 WeakPolarHBondContact O-CD1 3.29Å; R1636-L1640 PolarHBondContact O-N 3.02Å; K1638-L1640 VanDerWaalsContact C-N 3.33Å; K1638-L1640 PolarHBondContact O-N 3Å; L1640-P1644 VanDerWaalsContact O-CA 3.3Å; L1640-P1644 WeakPolarHBondContact O-CA 3.44Å; L1640-I1651 HydrophobicContact CD1-CD1 3.61Å; L1640-I1651 HydrophobicContact CD1-CG2 4.24Å; L1640-I1651 HydrophobicContact CG-CD1 3.9Å |
| 1641 | Q | 82.4 | Confident | 85.4 | Confident | 156 Ų | 156 | 76 Ų | 76 | 73% | 0.729 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -86.4 | -30.7 | 179.7 | -161.5 | 168.3 | 19.7 | 0 | 0 | 111.8 | K1637 K1638 L1639 | K1637-Q1641 PolarHBondContact O-N 2.78Å; K1638-Q1641 CarbonylContact O-C 3.58Å; K1638-Q1641 WeakPolarHBondContact O-CA 2.9Å; K1638-Q1641 WeakPolarHBondContact O-CB 3.41Å; K1638-Q1641 PolarHBondContact O-N 3.15Å; L1639-Q1641 VanDerWaalsContact C-N 3.26Å; L1639-Q1641 PolarHBondContact O-N 2.73Å |
| 1642 | E | 84.3 | Confident | 85.2 | Confident | 122 Ų | 122 | 76.7 Ų | 76.7 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -85.2 | -29.8 | 175.5 | -67.9 | 166.6 | -168.2 | 0 | 0 | 112.7 | K1638 | K1638-E1642 PolarHBondContact O-N 3.01Å |
| 1643 | R | 86 | Confident | 85 | Confident | 92 Ų | 92 | 83.2 Ų | 83.2 | 35% | 0.347 | 42% | 0.421 | S | S | . | . | trans | -134.8 | 67.5 | -179.8 | -60.1 | -179.4 | 67.2 | -161 | -3.4 | 111.4 | L1639 D1645 A1646 E1650 E1654 | L1639-R1643 WeakPolarHBondContact O-CA 3.34Å; L1639-R1643 WeakPolarHBondContact O-CB 3.4Å; L1639-R1643 PolarHBondContact O-N 3.42Å; R1643-D1645 PolarHBondContact O-N 2.72Å; R1643-D1645 VanDerWaalsContact O-N 3.14Å; R1643-A1646 HydrophobicContact CB-CB 3.9Å; R1643-A1646 PolarHBondContact O-N 3.04Å; R1643-A1646 VanDerWaalsContact O-N 3.11Å; R1643-E1650 IonicContact CZ-OE1 2.83Å; R1643-E1650 IonicContact NH1-OE1 2.71Å; R1643-E1650 PolarHBondContact NH1-OE1 3.23Å; R1643-E1650 IonicContact NH2-OE1 3.74Å; R1643-E1650 PolarHBondContact NH2-OE1 3.34Å; R1643-E1654 IonicContact CZ-OE2 3.67Å; R1643-E1654 IonicContact NH1-OE1 3.83Å; R1643-E1654 IonicContact NH1-OE2 3.73Å; R1643-E1654 PolarHBondContact NH1-OE2 3.28Å | ||
| 1644 | P | 80.3 | Confident | 85 | Confident | 92 Ų | 92 | 84.1 Ų | 84.1 | 60% | 0.597 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -25 | -175.5 | 25.2 | -35.4 | 0 | 0 | 0 | 114.3 | L1640 | L1640-P1644 VanDerWaalsContact O-CA 3.3Å; L1640-P1644 WeakPolarHBondContact O-CA 3.44Å |
| 1645 | D | 78.6 | Confident | 85.1 | Confident | 157 Ų | 157 | 79.9 Ų | 79.9 | 84% | 0.84 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -11.5 | -179.2 | -46.2 | -55.5 | 0 | 0 | 0 | 113.6 | R1643 | R1643-D1645 PolarHBondContact O-N 2.72Å; R1643-D1645 VanDerWaalsContact O-N 3.14Å |
| 1646 | A | 75.7 | Confident | 85.1 | Confident | 14 Ų | 14 | 79 Ų | 79 | 12% | 0.116 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -77.9 | 128.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111 | R1643 I1651 | R1643-A1646 HydrophobicContact CB-CB 3.9Å; R1643-A1646 PolarHBondContact O-N 3.04Å; R1643-A1646 VanDerWaalsContact O-N 3.11Å; A1646-I1651 HydrophobicContact CB-CD1 4Å; A1646-I1651 HydrophobicContact CB-CG1 3.78Å; A1646-I1651 WeakPolarHBondContact O-CD1 3.29Å |
| 1647 | P | 78.7 | Confident | 85 | Confident | 82 Ų | 82 | 80.4 Ų | 80.4 | 53% | 0.532 | 41% | 0.405 | S | S | . | . | trans | -64.5 | 142.9 | -176.1 | 25.5 | -33.4 | 0 | 0 | 0 | 111.2 | G1649 E1650 I1651 | P1647-G1649 PolarHBondContact O-N 2.81Å; P1647-E1650 HydrophobicContact CG-CB 4.01Å; P1647-E1650 WeakPolarHBondContact O-CA 3.31Å; P1647-E1650 WeakPolarHBondContact O-CB 3.29Å; P1647-E1650 PolarHBondContact O-N 3.31Å; P1647-I1651 PolarHBondContact O-N 2.88Å | ||
| 1648 | F | 82.6 | Confident | 85.1 | Confident | 130 Ų | 130 | 75.5 Ų | 75.5 | 57% | 0.57 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -48.8 | -35.7 | -175.8 | 176.1 | -86.3 | 0 | 0 | 0 | 114.2 | S1652 | F1648-S1652 WeakPolarHBondContact O-CB 3.44Å; F1648-S1652 PolarHBondContact O-N 2.84Å |
| 1649 | G | 79.7 | Confident | 85.4 | Confident | 38 Ų | 38 | 72 Ų | 72 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.4 | -28.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1647 R1653 | P1647-G1649 PolarHBondContact O-N 2.81Å; G1649-R1653 VanDerWaalsContact O-CG 3.29Å; G1649-R1653 WeakPolarHBondContact O-CG 3.33Å; G1649-R1653 PolarHBondContact O-N 3.24Å |
| 1650 | E | 85.5 | Confident | 85.6 | Confident | 79 Ų | 79 | 80.4 Ų | 80.4 | 37% | 0.369 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -75 | -53.2 | 172.4 | -169.8 | -176.9 | 150.6 | 0 | 0 | 110.2 | R1643 P1647 S1652 R1653 E1654 | R1643-E1650 IonicContact CZ-OE1 2.83Å; R1643-E1650 IonicContact NH1-OE1 2.71Å; R1643-E1650 PolarHBondContact NH1-OE1 3.23Å; R1643-E1650 IonicContact NH2-OE1 3.74Å; R1643-E1650 PolarHBondContact NH2-OE1 3.34Å; P1647-E1650 HydrophobicContact CG-CB 4.01Å; P1647-E1650 WeakPolarHBondContact O-CA 3.31Å; P1647-E1650 WeakPolarHBondContact O-CB 3.29Å; P1647-E1650 PolarHBondContact O-N 3.31Å; E1650-S1652 PolarHBondContact O-N 3.23Å; E1650-R1653 WeakPolarHBondContact O-CA 3.13Å; E1650-R1653 WeakPolarHBondContact O-CB 3.4Å; E1650-R1653 PolarHBondContact O-N 3.21Å; E1650-E1654 PolarHBondContact O-N 2.86Å |
| 1651 | I | 90 | Very high | 86 | Confident | 1 Ų | 1 | 82.9 Ų | 82.9 | 1% | 0.005 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -55.5 | -41.1 | 175.9 | -58.7 | 178.2 | 0 | 0 | 0 | 110.6 | R1636 L1639 L1640 A1646 P1647 R1653 E1654 V1655 | R1636-I1651 HydrophobicContact CG-CG2 4.01Å; L1639-I1651 HydrophobicContact CB-CG2 3.56Å; L1639-I1651 HydrophobicContact CD1-CG2 4.1Å; L1640-I1651 HydrophobicContact CD1-CD1 3.61Å; L1640-I1651 HydrophobicContact CD1-CG2 4.24Å; L1640-I1651 HydrophobicContact CG-CD1 3.9Å; A1646-I1651 HydrophobicContact CB-CD1 4Å; A1646-I1651 HydrophobicContact CB-CG1 3.78Å; A1646-I1651 WeakPolarHBondContact O-CD1 3.29Å; P1647-I1651 PolarHBondContact O-N 2.88Å; I1651-R1653 VanDerWaalsContact C-N 3.33Å; I1651-R1653 PolarHBondContact O-N 3.43Å; I1651-E1654 PolarHBondContact O-N 3.34Å; I1651-V1655 HydrophobicContact CG2-CG2 4.28Å; I1651-V1655 WeakPolarHBondContact O-CB 3.22Å; I1651-V1655 VanDerWaalsContact O-CG2 3.28Å; I1651-V1655 WeakPolarHBondContact O-CG2 3.36Å; I1651-V1655 PolarHBondContact O-N 3.27Å |
| 1652 | S | 88 | Confident | 86.1 | Confident | 31 Ų | 31 | 76.2 Ų | 76.2 | 22% | 0.217 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -74.6 | -17.4 | 179 | -162.5 | 0 | 0 | 0 | 0 | 114.5 | R1636 F1648 E1650 | R1636-S1652 PolarHBondContact NH2-OG 2.94Å; F1648-S1652 WeakPolarHBondContact O-CB 3.44Å; F1648-S1652 PolarHBondContact O-N 2.84Å; E1650-S1652 PolarHBondContact O-N 3.23Å |
| 1653 | R | 89.1 | Confident | 86.2 | Confident | 143 Ų | 143 | 74.4 Ų | 74.4 | 54% | 0.54 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -79.5 | -39.2 | 165.5 | -74.8 | 179.4 | -164.2 | 115.8 | -7.5 | 110.5 | E299 G1649 E1650 I1651 G1656 L1657 | E299-R1653 IonicContact OE1-CZ 3.71Å; E299-R1653 IonicContact OE1-NH2 3.09Å; E299-R1653 PolarHBondContact OE1-NH2 3.3Å; G1649-R1653 VanDerWaalsContact O-CG 3.29Å; G1649-R1653 WeakPolarHBondContact O-CG 3.33Å; G1649-R1653 PolarHBondContact O-N 3.24Å; E1650-R1653 WeakPolarHBondContact O-CA 3.13Å; E1650-R1653 WeakPolarHBondContact O-CB 3.4Å; E1650-R1653 PolarHBondContact O-N 3.21Å; I1651-R1653 VanDerWaalsContact C-N 3.33Å; I1651-R1653 PolarHBondContact O-N 3.43Å; R1653-G1656 CarbonylContact O-C 3.56Å; R1653-G1656 WeakPolarHBondContact O-CA 3.07Å; R1653-G1656 PolarHBondContact O-N 2.69Å; R1653-G1656 VanDerWaalsContact O-N 3.13Å; R1653-L1657 PolarHBondContact O-N 3.29Å |
| 1654 | E | 89.4 | Confident | 86.2 | Confident | 61 Ų | 61 | 74.6 Ų | 74.6 | 29% | 0.285 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 177.1 | -170.9 | 160 | -139.6 | 0 | 0 | 111.8 | L1639 R1643 E1650 I1651 G1656 L1657 L1658 | L1639-E1654 HydrophobicContact CD1-CB 4.43Å; L1639-E1654 HydrophobicContact CD1-CG 4.09Å; R1643-E1654 IonicContact CZ-OE2 3.67Å; R1643-E1654 IonicContact NH1-OE1 3.83Å; R1643-E1654 IonicContact NH1-OE2 3.73Å; R1643-E1654 PolarHBondContact NH1-OE2 3.28Å; E1650-E1654 PolarHBondContact O-N 2.86Å; I1651-E1654 PolarHBondContact O-N 3.34Å; E1654-G1656 VanDerWaalsContact C-N 3.25Å; E1654-G1656 PolarHBondContact O-N 2.85Å; E1654-L1657 WeakPolarHBondContact O-CB 3.31Å; E1654-L1657 PolarHBondContact O-N 3.03Å; E1654-L1657 VanDerWaalsContact O-N 3.08Å; E1654-L1658 HydrophobicContact CG-CD1 4.15Å; E1654-L1658 WeakPolarHBondContact O-CB 3.43Å; E1654-L1658 VanDerWaalsContact O-CG 3.32Å; E1654-L1658 WeakPolarHBondContact O-CG 3.46Å; E1654-L1658 PolarHBondContact O-N 3.4Å |
| 1655 | V | 92.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -54 | -41 | 168.6 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | Y1628 Y1631 A1632 I1635 R1636 L1639 I1651 W1659 | Y1628-V1655 HydrophobicContact CE2-CG1 4.16Å; Y1631-V1655 HydrophobicContact CD1-CG1 4.28Å; Y1631-V1655 HydrophobicContact CE1-CG1 4.07Å; A1632-V1655 HydrophobicContact CB-CG1 3.62Å; I1635-V1655 HydrophobicContact CG2-CG2 4.26Å; R1636-V1655 HydrophobicContact CB-CG2 4.09Å; L1639-V1655 HydrophobicContact CD1-CG2 3.81Å; I1651-V1655 HydrophobicContact CG2-CG2 4.28Å; I1651-V1655 WeakPolarHBondContact O-CB 3.22Å; I1651-V1655 VanDerWaalsContact O-CG2 3.28Å; I1651-V1655 WeakPolarHBondContact O-CG2 3.36Å; I1651-V1655 PolarHBondContact O-N 3.27Å; V1655-W1659 WeakPolarHBondContact O-CB 3.48Å; V1655-W1659 PolarHBondContact O-N 3.34Å |
| 1656 | G | 90.9 | Very high | 86.4 | Confident | 16 Ų | 16 | 71 Ų | 71 | 17% | 0.165 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.5 | -32.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1653 E1654 R1660 | R1653-G1656 CarbonylContact O-C 3.56Å; R1653-G1656 WeakPolarHBondContact O-CA 3.07Å; R1653-G1656 PolarHBondContact O-N 2.69Å; R1653-G1656 VanDerWaalsContact O-N 3.13Å; E1654-G1656 VanDerWaalsContact C-N 3.25Å; E1654-G1656 PolarHBondContact O-N 2.85Å; G1656-R1660 WeakPolarHBondContact O-CG 3.49Å; G1656-R1660 PolarHBondContact O-N 3.11Å |
| 1657 | L | 90.7 | Very high | 87 | Confident | 93 Ų | 93 | 73.8 Ų | 73.8 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -72.9 | -47.7 | 173.5 | -78.3 | 164.3 | 0 | 0 | 0 | 111.3 | R1653 E1654 W1659 R1660 Q1661 | R1653-L1657 PolarHBondContact O-N 3.29Å; E1654-L1657 WeakPolarHBondContact O-CB 3.31Å; E1654-L1657 PolarHBondContact O-N 3.03Å; E1654-L1657 VanDerWaalsContact O-N 3.08Å; L1657-W1659 VanDerWaalsContact C-N 3.33Å; L1657-W1659 PolarHBondContact O-N 2.69Å; L1657-R1660 WeakPolarHBondContact O-CA 3.46Å; L1657-R1660 WeakPolarHBondContact O-CB 3.47Å; L1657-R1660 PolarHBondContact O-N 3.06Å; L1657-Q1661 WeakPolarHBondContact O-CG 3.43Å; L1657-Q1661 PolarHBondContact O-N 3.44Å |
| 1658 | L | 89.5 | Confident | 87.4 | Confident | 60 Ų | 60 | 73.6 Ų | 73.6 | 31% | 0.314 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 177.8 | -67.1 | 167.8 | 0 | 0 | 0 | 111.3 | Y1631 I1635 L1639 E1654 R1660 Q1661 M1662 | Y1631-L1658 WeakPolarHBondContact OH-CB 3.22Å; I1635-L1658 HydrophobicContact CG2-CD1 4.24Å; L1639-L1658 HydrophobicContact CD1-CD1 3.96Å; E1654-L1658 HydrophobicContact CG-CD1 4.15Å; E1654-L1658 WeakPolarHBondContact O-CB 3.43Å; E1654-L1658 VanDerWaalsContact O-CG 3.32Å; E1654-L1658 WeakPolarHBondContact O-CG 3.46Å; E1654-L1658 PolarHBondContact O-N 3.4Å; L1658-R1660 VanDerWaalsContact C-N 3.31Å; L1658-R1660 PolarHBondContact O-N 2.73Å; L1658-Q1661 PolarHBondContact O-N 3.43Å; L1658-M1662 WeakPolarHBondContact O-CB 3.43Å; L1658-M1662 PolarHBondContact O-N 3.47Å |
| 1659 | W | 93.6 | Very high | 87.7 | Confident | 42 Ų | 42 | 72.4 Ų | 72.4 | 16% | 0.159 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.3 | -38.8 | 171.6 | 179.3 | -104.6 | 0 | 0 | 0 | 113 | Y1628 Y1631 V1655 L1657 M1662 R1667 Y1670 | Y1628-W1659 HydrophobicContact CD2-CB 3.8Å; Y1628-W1659 AromaticContact CD2-CD1 3.65Å; Y1628-W1659 AromaticContact CD2-CD2 3.61Å; Y1628-W1659 HydrophobicContact CD2-CD2 3.61Å; Y1628-W1659 AromaticContact CD2-CE2 3.99Å; Y1628-W1659 HydrophobicContact CD2-CE3 4.17Å; Y1628-W1659 AromaticContact CD2-CG 3.4Å; Y1628-W1659 HydrophobicContact CD2-CG 3.4Å; Y1628-W1659 AromaticContact CD2-NE1 3.98Å; Y1628-W1659 HydrophobicContact CE2-CB 3.8Å; Y1628-W1659 HydrophobicContact CE2-CD2 4.5Å; Y1628-W1659 AromaticContact CE2-CG 3.9Å; Y1628-W1659 HydrophobicContact CE2-CG 3.9Å; Y1628-W1659 HydrophobicContact CG-CD2 4.38Å; Y1628-W1659 HydrophobicContact CG-CG 4.39Å; Y1631-W1659 HydrophobicContact CD1-CB 4.06Å; Y1631-W1659 HydrophobicContact CD1-CD2 4.21Å; Y1631-W1659 AromaticContact CD1-CE3 3.45Å; Y1631-W1659 HydrophobicContact CD1-CE3 3.45Å; Y1631-W1659 VanDerWaalsContact CD1-CE3 3.45Å; Y1631-W1659 HydrophobicContact CD1-CG 4.48Å; Y1631-W1659 HydrophobicContact CD1-CZ3 4.25Å; Y1631-W1659 HydrophobicContact CD2-CE3 4.04Å; Y1631-W1659 HydrophobicContact CD2-CZ3 4.28Å; Y1631-W1659 HydrophobicContact CE1-CB 3.76Å; Y1631-W1659 HydrophobicContact CE1-CE3 4.04Å; Y1631-W1659 AromaticContact CG-CE3 3.43Å; Y1631-W1659 HydrophobicContact CG-CE3 3.43Å; Y1631-W1659 VanDerWaalsContact CG-CE3 3.43Å; Y1631-W1659 AromaticContact CG-CZ3 3.79Å; Y1631-W1659 HydrophobicContact CG-CZ3 3.79Å; V1655-W1659 WeakPolarHBondContact O-CB 3.48Å; V1655-W1659 PolarHBondContact O-N 3.34Å; L1657-W1659 VanDerWaalsContact C-N 3.33Å; L1657-W1659 PolarHBondContact O-N 2.69Å; W1659-M1662 HydrophobicContact CD2-CE 4.26Å; W1659-M1662 HydrophobicContact CE3-CE 3.32Å; W1659-M1662 HydrophobicContact CZ3-CE 3.71Å; W1659-R1667 HydrophobicContact CD2-CG 4.1Å; W1659-R1667 HydrophobicContact CE3-CG 3.95Å; W1659-R1667 HydrophobicContact CH2-CB 4.01Å; W1659-R1667 HydrophobicContact CH2-CG 3.86Å; W1659-R1667 HydrophobicContact CZ2-CB 4.32Å; W1659-R1667 HydrophobicContact CZ2-CG 4.02Å; W1659-R1667 HydrophobicContact CZ3-CB 4.32Å; W1659-R1667 HydrophobicContact CZ3-CG 3.83Å; W1659-R1667 VanDerWaalsContact O-CD 3.25Å; W1659-R1667 WeakPolarHBondContact O-CD 3.47Å; W1659-R1667 PolarHBondContact O-NE 2.86Å; W1659-Y1670 HydrophobicContact CZ3-CD2 4.17Å; W1659-Y1670 HydrophobicContact CZ3-CG 4.27Å |
| 1660 | R | 89.6 | Confident | 88.3 | Confident | 191 Ų | 191 | 72.1 Ų | 72.1 | 72% | 0.721 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -70.5 | -34.1 | 177 | -72.4 | 172.8 | -178.2 | -161.5 | 1.1 | 112.7 | G1656 L1657 L1658 R1667 | G1656-R1660 WeakPolarHBondContact O-CG 3.49Å; G1656-R1660 PolarHBondContact O-N 3.11Å; L1657-R1660 WeakPolarHBondContact O-CA 3.46Å; L1657-R1660 WeakPolarHBondContact O-CB 3.47Å; L1657-R1660 PolarHBondContact O-N 3.06Å; L1658-R1660 VanDerWaalsContact C-N 3.31Å; L1658-R1660 PolarHBondContact O-N 2.73Å; R1660-R1667 PolarHBondContact O-NH2 2.7Å |
| 1661 | Q | 88.6 | Confident | 88.5 | Confident | 141 Ų | 141 | 71.4 Ų | 71.4 | 66% | 0.659 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -84.5 | -25.8 | -178.3 | -68.4 | 175.9 | 8.4 | 0 | 0 | 113.6 | L1657 L1658 | L1657-Q1661 WeakPolarHBondContact O-CG 3.43Å; L1657-Q1661 PolarHBondContact O-N 3.44Å; L1658-Q1661 PolarHBondContact O-N 3.43Å |
| 1662 | M | 85.4 | Confident | 88.5 | Confident | 15 Ų | 15 | 77.2 Ų | 77.2 | 7% | 0.074 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -57.2 | 135.6 | -177.6 | -165.9 | -164.4 | -24.1 | 0 | 0 | 112.1 | Y1631 L1658 W1659 Q1666 R1667 Y1670 | Y1631-M1662 HydrophobicContact CD1-CE 4.43Å; Y1631-M1662 HydrophobicContact CD2-CE 3.44Å; Y1631-M1662 VanDerWaalsContact CD2-CE 3.44Å; Y1631-M1662 HydrophobicContact CE1-CE 4.23Å; Y1631-M1662 HydrophobicContact CE2-CE 3.17Å; Y1631-M1662 HydrophobicContact CE2-SD 4.24Å; Y1631-M1662 HydrophobicContact CG-CE 4.06Å; L1658-M1662 WeakPolarHBondContact O-CB 3.43Å; L1658-M1662 PolarHBondContact O-N 3.47Å; W1659-M1662 HydrophobicContact CD2-CE 4.26Å; W1659-M1662 HydrophobicContact CE3-CE 3.32Å; W1659-M1662 HydrophobicContact CZ3-CE 3.71Å; M1662-Q1666 HydrophobicContact CG-CB 3.9Å; M1662-Q1666 HydrophobicContact CG-CG 4.1Å; M1662-Q1666 HydrophobicContact SD-CB 3.74Å; M1662-Q1666 HydrophobicContact SD-CG 3.66Å; M1662-R1667 HydrophobicContact CB-CG 4.2Å; M1662-R1667 HydrophobicContact CE-CG 3.74Å; M1662-R1667 HydrophobicContact CG-CG 4.48Å; M1662-R1667 VanDerWaalsContact O-CZ 3.23Å; M1662-R1667 PolarHBondContact O-NE 3.16Å; M1662-R1667 PolarHBondContact O-NH2 3.25Å; M1662-R1667 HydrophobicContact SD-CG 3.98Å; M1662-Y1670 HydrophobicContact CE-CD2 4.47Å; M1662-Y1670 HydrophobicContact CE-CE2 4.46Å; M1662-Y1670 HydrophobicContact SD-CD2 4.37Å; M1662-Y1670 HydrophobicContact SD-CE2 4.19Å |
| 1663 | P | 86.5 | Confident | 88.5 | Confident | 84 Ų | 84 | 80.1 Ų | 80.1 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | trans | -53 | 144.7 | 176.2 | -28 | 35.7 | 0 | 0 | 0 | 113.3 | A1665 Q1666 R1667 | P1663-A1665 PolarHBondContact O-N 3.4Å; P1663-Q1666 WeakPolarHBondContact O-CB 3.46Å; P1663-Q1666 PolarHBondContact O-N 3.3Å; P1663-R1667 PolarHBondContact O-N 3.19Å; P1663-R1667 VanDerWaalsContact O-N 3.13Å | ||
| 1664 | T | 84.5 | Confident | 88.6 | Confident | 96 Ų | 96 | 73.3 Ų | 73.3 | 59% | 0.589 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -54.7 | -51.8 | -173.2 | -35.4 | 0 | 0 | 0 | 0 | 112 | Q1666 R1667 D1668 | T1664-Q1666 PolarHBondContact O-N 3.06Å; T1664-R1667 CarbonylContact O-C 3.47Å; T1664-R1667 WeakPolarHBondContact O-CA 3.39Å; T1664-R1667 WeakPolarHBondContact O-CB 3.32Å; T1664-R1667 PolarHBondContact O-N 3.27Å; T1664-D1668 VanDerWaalsContact C-OD2 3.23Å; T1664-D1668 PolarHBondContact O-N 2.93Å; T1664-D1668 VanDerWaalsContact O-OD2 3.07Å |
| 1665 | A | 83.8 | Confident | 88.4 | Confident | 74 Ų | 74 | 75.6 Ų | 75.6 | 61% | 0.612 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -55.8 | -25.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1663 D1668 L1669 | P1663-A1665 PolarHBondContact O-N 3.4Å; A1665-D1668 WeakPolarHBondContact CA-OD2 3.48Å; A1665-D1668 PolarHBondContact N-OD2 3.09Å; A1665-L1669 PolarHBondContact O-N 3.34Å |
| 1666 | Q | 80.4 | Confident | 88.3 | Confident | 100 Ų | 100 | 81.1 Ų | 81.1 | 47% | 0.467 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -87 | -28.2 | 177.9 | -160 | 178 | 25.6 | 0 | 0 | 112.1 | M1662 P1663 T1664 Y1670 | M1662-Q1666 HydrophobicContact CG-CB 3.9Å; M1662-Q1666 HydrophobicContact CG-CG 4.1Å; M1662-Q1666 HydrophobicContact SD-CB 3.74Å; M1662-Q1666 HydrophobicContact SD-CG 3.66Å; P1663-Q1666 WeakPolarHBondContact O-CB 3.46Å; P1663-Q1666 PolarHBondContact O-N 3.3Å; T1664-Q1666 PolarHBondContact O-N 3.06Å; Q1666-Y1670 WeakPolarHBondContact O-CD2 3.39Å |
| 1667 | R | 88.2 | Confident | 88 | Confident | 72 Ų | 72 | 83.4 Ų | 83.4 | 27% | 0.272 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.9 | -39.7 | 164.1 | -80.1 | -178.4 | -100.3 | -174.1 | -15.3 | 111.9 | W1659 R1660 M1662 P1663 T1664 L1669 Y1670 E1671 | W1659-R1667 HydrophobicContact CD2-CG 4.1Å; W1659-R1667 HydrophobicContact CE3-CG 3.95Å; W1659-R1667 HydrophobicContact CH2-CB 4.01Å; W1659-R1667 HydrophobicContact CH2-CG 3.86Å; W1659-R1667 HydrophobicContact CZ2-CB 4.32Å; W1659-R1667 HydrophobicContact CZ2-CG 4.02Å; W1659-R1667 HydrophobicContact CZ3-CB 4.32Å; W1659-R1667 HydrophobicContact CZ3-CG 3.83Å; W1659-R1667 VanDerWaalsContact O-CD 3.25Å; W1659-R1667 WeakPolarHBondContact O-CD 3.47Å; W1659-R1667 PolarHBondContact O-NE 2.86Å; R1660-R1667 PolarHBondContact O-NH2 2.7Å; M1662-R1667 HydrophobicContact CB-CG 4.2Å; M1662-R1667 HydrophobicContact CE-CG 3.74Å; M1662-R1667 HydrophobicContact CG-CG 4.48Å; M1662-R1667 VanDerWaalsContact O-CZ 3.23Å; M1662-R1667 PolarHBondContact O-NE 3.16Å; M1662-R1667 PolarHBondContact O-NH2 3.25Å; M1662-R1667 HydrophobicContact SD-CG 3.98Å; P1663-R1667 PolarHBondContact O-N 3.19Å; P1663-R1667 VanDerWaalsContact O-N 3.13Å; T1664-R1667 CarbonylContact O-C 3.47Å; T1664-R1667 WeakPolarHBondContact O-CA 3.39Å; T1664-R1667 WeakPolarHBondContact O-CB 3.32Å; T1664-R1667 PolarHBondContact O-N 3.27Å; R1667-L1669 PolarHBondContact O-N 3.48Å; R1667-Y1670 PolarHBondContact O-N 3.19Å; R1667-E1671 PolarHBondContact O-N 3.03Å |
| 1668 | D | 86.7 | Confident | 87.7 | Confident | 79 Ų | 79 | 83.3 Ų | 83.3 | 42% | 0.422 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.8 | -34.6 | -179.5 | -61.2 | -32.5 | 0 | 0 | 0 | 111.2 | T1664 A1665 Y1670 E1671 Q1672 | T1664-D1668 VanDerWaalsContact C-OD2 3.23Å; T1664-D1668 PolarHBondContact O-N 2.93Å; T1664-D1668 VanDerWaalsContact O-OD2 3.07Å; A1665-D1668 WeakPolarHBondContact CA-OD2 3.48Å; A1665-D1668 PolarHBondContact N-OD2 3.09Å; D1668-Y1670 VanDerWaalsContact C-N 3.33Å; D1668-Y1670 PolarHBondContact O-N 3.03Å; D1668-E1671 PolarHBondContact O-N 3.42Å; D1668-Q1672 WeakPolarHBondContact O-CB 3.28Å; D1668-Q1672 WeakPolarHBondContact O-CG 3.5Å; D1668-Q1672 PolarHBondContact O-N 3.42Å |
| 1669 | L | 88.4 | Confident | 87.4 | Confident | 104 Ų | 104 | 84.5 Ų | 84.5 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.2 | -38.4 | 169.8 | -87.8 | 162 | 0 | 0 | 0 | 113.6 | A1665 R1667 K1673 | A1665-L1669 PolarHBondContact O-N 3.34Å; R1667-L1669 PolarHBondContact O-N 3.48Å; L1669-K1673 PolarHBondContact O-N 3.27Å |
| 1670 | Y | 92.2 | Very high | 86.9 | Confident | 33 Ų | 33 | 87.7 Ų | 87.7 | 13% | 0.129 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -77.8 | -35 | 176.4 | -69.3 | -83 | 0 | 0 | 0 | 112.5 | G1627 L1630 Y1631 E1634 W1659 M1662 Q1666 R1667 D1668 Q1672 K1673 A1674 | G1627-Y1670 VanDerWaalsContact CA-O 3.28Å; G1627-Y1670 WeakPolarHBondContact CA-O 3.31Å; L1630-Y1670 HydrophobicContact CB-CD1 4.38Å; Y1631-Y1670 HydrophobicContact CD2-CD2 4.1Å; Y1631-Y1670 HydrophobicContact CD2-CE1 4.26Å; Y1631-Y1670 AromaticContact CD2-CE2 3.7Å; Y1631-Y1670 HydrophobicContact CD2-CE2 3.7Å; Y1631-Y1670 AromaticContact CD2-CZ 3.79Å; Y1631-Y1670 HydrophobicContact CE2-CE2 4.46Å; E1634-Y1670 WeakPolarHBondContact OE2-CE1 3.5Å; E1634-Y1670 PolarHBondContact OE2-OH 3.4Å; W1659-Y1670 HydrophobicContact CZ3-CD2 4.17Å; W1659-Y1670 HydrophobicContact CZ3-CG 4.27Å; M1662-Y1670 HydrophobicContact CE-CD2 4.47Å; M1662-Y1670 HydrophobicContact CE-CE2 4.46Å; M1662-Y1670 HydrophobicContact SD-CD2 4.37Å; M1662-Y1670 HydrophobicContact SD-CE2 4.19Å; Q1666-Y1670 WeakPolarHBondContact O-CD2 3.39Å; R1667-Y1670 PolarHBondContact O-N 3.19Å; D1668-Y1670 VanDerWaalsContact C-N 3.33Å; D1668-Y1670 PolarHBondContact O-N 3.03Å; Y1670-Q1672 VanDerWaalsContact C-N 3.34Å; Y1670-K1673 HydrophobicContact CD1-CD 4.3Å; Y1670-K1673 PolarHBondContact O-N 3.08Å; Y1670-A1674 WeakPolarHBondContact O-CB 3.47Å; Y1670-A1674 PolarHBondContact O-N 2.87Å |
| 1671 | E | 90.2 | Very high | 86.4 | Confident | 64 Ų | 64 | 81.4 Ų | 81.4 | 30% | 0.299 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70 | -29.8 | 171.5 | -77.9 | -61.4 | 149.4 | 0 | 0 | 112.3 | G1627 R1667 D1668 A1674 H1675 R1678 | G1627-E1671 VanDerWaalsContact CA-OE1 3.26Å; G1627-E1671 WeakPolarHBondContact CA-OE1 3.48Å; G1627-E1671 PolarHBondContact N-OE1 2.83Å; R1667-E1671 PolarHBondContact O-N 3.03Å; D1668-E1671 PolarHBondContact O-N 3.42Å; E1671-A1674 CarbonylContact O-C 3.56Å; E1671-A1674 PolarHBondContact O-N 3.33Å; E1671-H1675 WeakPolarHBondContact O-CB 3.29Å; E1671-H1675 PolarHBondContact O-N 3.49Å; E1671-R1678 PolarHBondContact O-NH2 3.43Å; E1671-R1678 VanDerWaalsContact O-NH2 3.16Å; E1671-R1678 IonicContact OE2-CZ 3.83Å; E1671-R1678 IonicContact OE2-NH1 2.85Å; E1671-R1678 IonicContact OE2-NH2 2.82Å; E1671-R1678 PolarHBondContact OE2-NH2 3.41Å |
| 1672 | Q | 89.3 | Confident | 85.9 | Confident | 122 Ų | 122 | 77 Ų | 77 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67.3 | -47 | 168.2 | -78 | -176.8 | 3.3 | 0 | 0 | 112 | D1668 Y1670 A1674 H1675 L1676 | D1668-Q1672 WeakPolarHBondContact O-CB 3.28Å; D1668-Q1672 WeakPolarHBondContact O-CG 3.5Å; D1668-Q1672 PolarHBondContact O-N 3.42Å; Y1670-Q1672 VanDerWaalsContact C-N 3.34Å; Q1672-A1674 VanDerWaalsContact C-N 3.25Å; Q1672-A1674 PolarHBondContact O-N 3Å; Q1672-H1675 WeakPolarHBondContact O-CA 3.46Å; Q1672-H1675 WeakPolarHBondContact O-CB 3.44Å; Q1672-H1675 PolarHBondContact O-N 3.46Å; Q1672-L1676 PolarHBondContact O-N 3.34Å |
| 1673 | K | 87.9 | Confident | 85.6 | Confident | 92 Ų | 92 | 80.5 Ų | 80.5 | 40% | 0.4 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -51.9 | -46.6 | 169.2 | -83.8 | -178.6 | 169.3 | 176.4 | 0 | 110.6 | L1630 E1634 L1669 Y1670 H1675 L1676 I1677 | L1630-K1673 HydrophobicContact CD1-CB 3.72Å; E1634-K1673 IonicContact OE1-NZ 3.15Å; E1634-K1673 PolarHBondContact OE1-NZ 3.12Å; E1634-K1673 IonicContact OE2-NZ 2.62Å; L1669-K1673 PolarHBondContact O-N 3.27Å; Y1670-K1673 HydrophobicContact CD1-CD 4.3Å; Y1670-K1673 PolarHBondContact O-N 3.08Å; K1673-H1675 VanDerWaalsContact C-N 3.35Å; K1673-H1675 PolarHBondContact O-N 3.32Å; K1673-L1676 PolarHBondContact O-N 3.46Å; K1673-I1677 WeakPolarHBondContact O-CG1 3.34Å; K1673-I1677 PolarHBondContact O-N 3.44Å |
| 1674 | A | 91.1 | Very high | 85 | Confident | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -69.3 | -28.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1625 L1630 Y1670 E1671 Q1672 R1678 | P1625-A1674 WeakPolarHBondContact O-CB 2.98Å; L1630-A1674 HydrophobicContact CD1-CB 3.83Å; Y1670-A1674 WeakPolarHBondContact O-CB 3.47Å; Y1670-A1674 PolarHBondContact O-N 2.87Å; E1671-A1674 CarbonylContact O-C 3.56Å; E1671-A1674 PolarHBondContact O-N 3.33Å; Q1672-A1674 VanDerWaalsContact C-N 3.25Å; Q1672-A1674 PolarHBondContact O-N 3Å; A1674-R1678 VanDerWaalsContact O-CB 3.31Å; A1674-R1678 WeakPolarHBondContact O-CB 3.16Å; A1674-R1678 VanDerWaalsContact O-CG 3.23Å; A1674-R1678 WeakPolarHBondContact O-CG 3.35Å; A1674-R1678 PolarHBondContact O-N 3.25Å; A1674-R1678 PolarHBondContact O-NE 3.45Å |
| 1675 | H | 86.9 | Confident | 84.5 | Confident | 110 Ų | 110 | 80.9 Ų | 80.9 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.8 | -44 | 173.2 | -168.3 | -69.8 | 0 | 0 | 0 | 111 | E1671 Q1672 K1673 I1677 R1678 Q1679 | E1671-H1675 WeakPolarHBondContact O-CB 3.29Å; E1671-H1675 PolarHBondContact O-N 3.49Å; Q1672-H1675 WeakPolarHBondContact O-CA 3.46Å; Q1672-H1675 WeakPolarHBondContact O-CB 3.44Å; Q1672-H1675 PolarHBondContact O-N 3.46Å; K1673-H1675 VanDerWaalsContact C-N 3.35Å; K1673-H1675 PolarHBondContact O-N 3.32Å; H1675-I1677 PolarHBondContact O-N 3.48Å; H1675-R1678 WeakPolarHBondContact O-CB 3.46Å; H1675-R1678 PolarHBondContact O-N 2.96Å; H1675-Q1679 WeakPolarHBondContact O-CB 3.47Å; H1675-Q1679 PolarHBondContact O-N 3.19Å |
| 1676 | L | 89.7 | Confident | 84.1 | Confident | 115 Ų | 115 | 84 Ų | 84 | 60% | 0.602 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.8 | -40.8 | 175.4 | -69.8 | 168.8 | 0 | 0 | 0 | 111.7 | Q1672 K1673 Q1679 H1680 | Q1672-L1676 PolarHBondContact O-N 3.34Å; K1673-L1676 PolarHBondContact O-N 3.46Å; L1676-Q1679 PolarHBondContact O-N 2.68Å; L1676-H1680 WeakPolarHBondContact O-CB 3.42Å; L1676-H1680 PolarHBondContact O-N 3.23Å |
| 1677 | I | 85.1 | Confident | 83.8 | Confident | 65 Ų | 65 | 84.2 Ų | 84.2 | 33% | 0.333 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 173.8 | -67.3 | 168.1 | 0 | 0 | 0 | 111.5 | P1625 L1630 K1673 H1675 Q1679 M1681 | P1625-I1677 HydrophobicContact CG-CG2 4.22Å; L1630-I1677 HydrophobicContact CD1-CD1 3.95Å; L1630-I1677 HydrophobicContact CD2-CD1 3.99Å; K1673-I1677 WeakPolarHBondContact O-CG1 3.34Å; K1673-I1677 PolarHBondContact O-N 3.44Å; H1675-I1677 PolarHBondContact O-N 3.48Å; I1677-Q1679 VanDerWaalsContact C-N 3.31Å; I1677-Q1679 PolarHBondContact O-N 2.93Å; I1677-M1681 HydrophobicContact CG2-SD 4.07Å; I1677-M1681 WeakPolarHBondContact O-CB 3.48Å; I1677-M1681 WeakPolarHBondContact O-CG 3.36Å; I1677-M1681 PolarHBondContact O-N 3.37Å |
| 1678 | R | 85.3 | Confident | 83 | Confident | 90 Ų | 90 | 86.6 Ų | 86.6 | 34% | 0.34 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 172.2 | -82.7 | 172.8 | -76.3 | -153.5 | -0.6 | 111.8 | P1624 E1671 A1674 H1675 A1682 | P1624-R1678 HydrophobicContact CB-CG 3.64Å; P1624-R1678 HydrophobicContact CG-CG 3.63Å; E1671-R1678 PolarHBondContact O-NH2 3.43Å; E1671-R1678 VanDerWaalsContact O-NH2 3.16Å; E1671-R1678 IonicContact OE2-CZ 3.83Å; E1671-R1678 IonicContact OE2-NH1 2.85Å; E1671-R1678 IonicContact OE2-NH2 2.82Å; E1671-R1678 PolarHBondContact OE2-NH2 3.41Å; A1674-R1678 VanDerWaalsContact O-CB 3.31Å; A1674-R1678 WeakPolarHBondContact O-CB 3.16Å; A1674-R1678 VanDerWaalsContact O-CG 3.23Å; A1674-R1678 WeakPolarHBondContact O-CG 3.35Å; A1674-R1678 PolarHBondContact O-N 3.25Å; A1674-R1678 PolarHBondContact O-NE 3.45Å; H1675-R1678 WeakPolarHBondContact O-CB 3.46Å; H1675-R1678 PolarHBondContact O-N 2.96Å; R1678-A1682 WeakPolarHBondContact O-CB 3.31Å; R1678-A1682 PolarHBondContact O-N 3.15Å; R1678-A1682 VanDerWaalsContact O-N 3.08Å |
| 1679 | Q | 82.9 | Confident | 82.4 | Confident | 85 Ų | 85 | 87.7 Ų | 87.7 | 40% | 0.397 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.6 | -49.8 | 178.9 | 179.8 | 173.8 | -12.7 | 0 | 0 | 111.5 | H1675 L1676 I1677 M1681 A1682 E1683 | H1675-Q1679 WeakPolarHBondContact O-CB 3.47Å; H1675-Q1679 PolarHBondContact O-N 3.19Å; L1676-Q1679 PolarHBondContact O-N 2.68Å; I1677-Q1679 VanDerWaalsContact C-N 3.31Å; I1677-Q1679 PolarHBondContact O-N 2.93Å; Q1679-M1681 VanDerWaalsContact C-N 3.35Å; Q1679-M1681 PolarHBondContact O-N 2.85Å; Q1679-A1682 CarbonylContact O-C 3.6Å; Q1679-A1682 WeakPolarHBondContact O-CA 3.49Å; Q1679-A1682 WeakPolarHBondContact O-CB 3.44Å; Q1679-A1682 PolarHBondContact O-N 3.48Å; Q1679-E1683 HydrophobicContact CG-CG 4.39Å; Q1679-E1683 WeakPolarHBondContact CG-OE1 3.26Å; Q1679-E1683 PolarHBondContact NE2-OE1 3.16Å; Q1679-E1683 WeakPolarHBondContact O-CG 3.3Å; Q1679-E1683 PolarHBondContact O-N 3.13Å |
| 1680 | H | 81.9 | Confident | 81.7 | Confident | 109 Ų | 109 | 85.1 Ų | 85.1 | 51% | 0.505 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58 | -45.7 | 177.2 | -168.2 | -75.8 | 0 | 0 | 0 | 111.7 | L1676 A1682 E1683 E1684 | L1676-H1680 WeakPolarHBondContact O-CB 3.42Å; L1676-H1680 PolarHBondContact O-N 3.23Å; H1680-A1682 VanDerWaalsContact C-N 3.28Å; H1680-A1682 PolarHBondContact O-N 2.86Å; H1680-E1683 PolarHBondContact O-N 2.96Å; H1680-E1684 IonicContact CE1-OE1 2.65Å; H1680-E1684 PolarHBondContact CE1-OE1 2.98Å; H1680-E1684 IonicContact CE1-OE2 3.55Å; H1680-E1684 PolarHBondContact CE1-OE2 3.22Å; H1680-E1684 IonicContact ND1-OE1 3.32Å; H1680-E1684 IonicContact ND1-OE2 2.7Å; H1680-E1684 PolarHBondContact ND1-OE2 3.41Å; H1680-E1684 WeakPolarHBondContact O-CB 3.43Å; H1680-E1684 WeakPolarHBondContact O-CG 3.32Å; H1680-E1684 PolarHBondContact O-N 3.08Å |
| 1681 | M | 80 | Confident | 80.7 | Confident | 59 Ų | 59 | 88.8 Ų | 88.8 | 29% | 0.291 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.1 | -33.1 | 175.6 | -74.6 | 177.7 | 53.5 | 0 | 0 | 112.9 | P1624 I1677 Q1679 E1685 | P1624-M1681 HydrophobicContact CB-CE 3.95Å; P1624-M1681 HydrophobicContact CB-SD 3.74Å; P1624-M1681 HydrophobicContact CG-CE 4.4Å; I1677-M1681 HydrophobicContact CG2-SD 4.07Å; I1677-M1681 WeakPolarHBondContact O-CB 3.48Å; I1677-M1681 WeakPolarHBondContact O-CG 3.36Å; I1677-M1681 PolarHBondContact O-N 3.37Å; Q1679-M1681 VanDerWaalsContact C-N 3.35Å; Q1679-M1681 PolarHBondContact O-N 2.85Å; M1681-E1685 WeakPolarHBondContact O-CB 3.42Å; M1681-E1685 PolarHBondContact O-N 3.28Å |
| 1682 | A | 78.2 | Confident | 79.7 | Confident | 50 Ų | 50 | 91.8 Ų | 91.8 | 41% | 0.413 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -75.5 | -33.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1678 Q1679 H1680 M1686 | R1678-A1682 WeakPolarHBondContact O-CB 3.31Å; R1678-A1682 PolarHBondContact O-N 3.15Å; R1678-A1682 VanDerWaalsContact O-N 3.08Å; Q1679-A1682 CarbonylContact O-C 3.6Å; Q1679-A1682 WeakPolarHBondContact O-CA 3.49Å; Q1679-A1682 WeakPolarHBondContact O-CB 3.44Å; Q1679-A1682 PolarHBondContact O-N 3.48Å; H1680-A1682 VanDerWaalsContact C-N 3.28Å; H1680-A1682 PolarHBondContact O-N 2.86Å; A1682-M1686 VanDerWaalsContact O-CB 3.23Å; A1682-M1686 WeakPolarHBondContact O-CB 3.15Å; A1682-M1686 PolarHBondContact O-N 2.84Å |
| 1683 | E | 77.7 | Confident | 78.8 | Confident | 88 Ų | 88 | 92.8 Ų | 92.8 | 41% | 0.411 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.8 | -38.8 | 173 | -73.3 | 170.1 | -172.2 | 0 | 0 | 111.1 | Q1679 H1680 M1686 Q1687 | Q1679-E1683 HydrophobicContact CG-CG 4.39Å; Q1679-E1683 WeakPolarHBondContact CG-OE1 3.26Å; Q1679-E1683 PolarHBondContact NE2-OE1 3.16Å; Q1679-E1683 WeakPolarHBondContact O-CG 3.3Å; Q1679-E1683 PolarHBondContact O-N 3.13Å; H1680-E1683 PolarHBondContact O-N 2.96Å; E1683-M1686 PolarHBondContact O-N 2.94Å; E1683-Q1687 WeakPolarHBondContact O-CB 3.49Å; E1683-Q1687 WeakPolarHBondContact O-CG 3.43Å; E1683-Q1687 PolarHBondContact O-N 3.02Å |
| 1684 | E | 74.9 | Confident | 78 | Confident | 97 Ų | 97 | 94.3 Ų | 94.3 | 45% | 0.453 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 170.2 | -73.3 | 173.9 | 123.9 | 0 | 0 | 112.1 | H1680 M1686 Q1687 M1688 | H1680-E1684 IonicContact CE1-OE1 2.65Å; H1680-E1684 PolarHBondContact CE1-OE1 2.98Å; H1680-E1684 IonicContact CE1-OE2 3.55Å; H1680-E1684 PolarHBondContact CE1-OE2 3.22Å; H1680-E1684 IonicContact ND1-OE1 3.32Å; H1680-E1684 IonicContact ND1-OE2 2.7Å; H1680-E1684 PolarHBondContact ND1-OE2 3.41Å; H1680-E1684 WeakPolarHBondContact O-CB 3.43Å; H1680-E1684 WeakPolarHBondContact O-CG 3.32Å; H1680-E1684 PolarHBondContact O-N 3.08Å; E1684-M1686 VanDerWaalsContact C-N 3.29Å; E1684-M1686 PolarHBondContact O-N 2.87Å; E1684-Q1687 PolarHBondContact O-N 3.37Å; E1684-M1688 WeakPolarHBondContact O-CB 3.49Å; E1684-M1688 WeakPolarHBondContact O-CG 3.46Å; E1684-M1688 PolarHBondContact O-N 3.11Å |
| 1685 | E | 74.3 | Confident | 76.9 | Confident | 91 Ų | 91 | 100.8 Ų | 100.8 | 43% | 0.425 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -34.5 | 174.7 | -170.2 | 179.7 | 158 | 0 | 0 | 111.7 | M1681 K1689 | M1681-E1685 WeakPolarHBondContact O-CB 3.42Å; M1681-E1685 PolarHBondContact O-N 3.28Å; E1685-K1689 HydrophobicContact CG-CD 4.49Å; E1685-K1689 WeakPolarHBondContact O-CG 3.36Å; E1685-K1689 PolarHBondContact O-N 3.13Å; E1685-K1689 VanDerWaalsContact O-N 3.12Å; E1685-K1689 WeakPolarHBondContact OE1-CE 3.16Å; E1685-K1689 IonicContact OE1-NZ 2.84Å; E1685-K1689 PolarHBondContact OE1-NZ 2.81Å |
| 1686 | M | 74.5 | Confident | 75.9 | Confident | 138 Ų | 138 | 99 Ų | 99 | 68% | 0.68 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -71.4 | -41.6 | 174.2 | -170.8 | 176.9 | -67.1 | 0 | 0 | 112 | A1682 E1683 E1684 K1689 A1690 | A1682-M1686 VanDerWaalsContact O-CB 3.23Å; A1682-M1686 WeakPolarHBondContact O-CB 3.15Å; A1682-M1686 PolarHBondContact O-N 2.84Å; E1683-M1686 PolarHBondContact O-N 2.94Å; E1684-M1686 VanDerWaalsContact C-N 3.29Å; E1684-M1686 PolarHBondContact O-N 2.87Å; M1686-K1689 PolarHBondContact O-N 2.93Å; M1686-A1690 VanDerWaalsContact O-CB 3.3Å; M1686-A1690 WeakPolarHBondContact O-CB 3.48Å; M1686-A1690 PolarHBondContact O-N 3.32Å |
| 1687 | Q | 74.4 | Confident | 74.9 | Confident | 106 Ų | 106 | 99.1 Ų | 99.1 | 50% | 0.495 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 174.6 | -77.9 | -174.7 | 43.3 | 0 | 0 | 112.3 | E1683 E1684 A1690 R1691 | E1683-Q1687 WeakPolarHBondContact O-CB 3.49Å; E1683-Q1687 WeakPolarHBondContact O-CG 3.43Å; E1683-Q1687 PolarHBondContact O-N 3.02Å; E1684-Q1687 PolarHBondContact O-N 3.37Å; Q1687-A1690 PolarHBondContact O-N 3.4Å; Q1687-R1691 WeakPolarHBondContact O-CG 3.38Å; Q1687-R1691 PolarHBondContact O-N 2.93Å |
| 1688 | M | 70.8 | Confident | 74.1 | Confident | 121 Ų | 121 | 100.3 Ų | 100.3 | 60% | 0.596 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.2 | -46.5 | 174.5 | -73.9 | -122.5 | -70.7 | 0 | 0 | 111.3 | E1684 A1690 R1691 E1692 | E1684-M1688 WeakPolarHBondContact O-CB 3.49Å; E1684-M1688 WeakPolarHBondContact O-CG 3.46Å; E1684-M1688 PolarHBondContact O-N 3.11Å; M1688-A1690 VanDerWaalsContact C-N 3.33Å; M1688-A1690 PolarHBondContact O-N 3.31Å; M1688-R1691 PolarHBondContact O-N 3.42Å; M1688-E1692 WeakPolarHBondContact O-CG 3.32Å; M1688-E1692 PolarHBondContact O-N 3.4Å |
| 1689 | K | 74.3 | Confident | 73 | Confident | 102 Ų | 102 | 101 Ų | 101 | 44% | 0.443 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -35.1 | 175.6 | -71.9 | 171 | -170.9 | 167.4 | 0 | 113 | E1685 M1686 E1692 Q1693 | E1685-K1689 HydrophobicContact CG-CD 4.49Å; E1685-K1689 WeakPolarHBondContact O-CG 3.36Å; E1685-K1689 PolarHBondContact O-N 3.13Å; E1685-K1689 VanDerWaalsContact O-N 3.12Å; E1685-K1689 WeakPolarHBondContact OE1-CE 3.16Å; E1685-K1689 IonicContact OE1-NZ 2.84Å; E1685-K1689 PolarHBondContact OE1-NZ 2.81Å; M1686-K1689 PolarHBondContact O-N 2.93Å; K1689-E1692 PolarHBondContact O-N 2.74Å; K1689-Q1693 WeakPolarHBondContact O-CB 3.42Å; K1689-Q1693 WeakPolarHBondContact O-CG 3.34Å; K1689-Q1693 PolarHBondContact O-N 2.84Å |
| 1690 | A | 73.7 | Confident | 71.9 | Confident | 51 Ų | 51 | 100.4 Ų | 100.4 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1686 Q1687 M1688 Q1693 E1694 | M1686-A1690 VanDerWaalsContact O-CB 3.3Å; M1686-A1690 WeakPolarHBondContact O-CB 3.48Å; M1686-A1690 PolarHBondContact O-N 3.32Å; Q1687-A1690 PolarHBondContact O-N 3.4Å; M1688-A1690 VanDerWaalsContact C-N 3.33Å; M1688-A1690 PolarHBondContact O-N 3.31Å; A1690-Q1693 PolarHBondContact O-N 3.18Å; A1690-E1694 VanDerWaalsContact O-CB 3.28Å; A1690-E1694 WeakPolarHBondContact O-CB 3.07Å; A1690-E1694 PolarHBondContact O-N 2.95Å |
| 1691 | R | 71.4 | Confident | 71.1 | Confident | 109 Ų | 109 | 100.2 Ų | 100.2 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.4 | -36.8 | 174.1 | -70.6 | 177.2 | -165.5 | 163.4 | 9.6 | 112.9 | Q1687 M1688 E1694 Q1695 | Q1687-R1691 WeakPolarHBondContact O-CG 3.38Å; Q1687-R1691 PolarHBondContact O-N 2.93Å; M1688-R1691 PolarHBondContact O-N 3.42Å; R1691-E1694 PolarHBondContact O-N 2.84Å; R1691-Q1695 WeakPolarHBondContact O-CB 3.47Å; R1691-Q1695 WeakPolarHBondContact O-CG 3.39Å; R1691-Q1695 PolarHBondContact O-N 3.39Å |
| 1692 | E | 69.7 | Low | 70.1 | Confident | 127 Ų | 127 | 103.5 Ų | 103.5 | 59% | 0.593 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.3 | -43.6 | 171.6 | -73.5 | 178.5 | 145.9 | 0 | 0 | 110.9 | M1688 K1689 Q1695 V1696 | M1688-E1692 WeakPolarHBondContact O-CG 3.32Å; M1688-E1692 PolarHBondContact O-N 3.4Å; K1689-E1692 PolarHBondContact O-N 2.74Å; E1692-Q1695 PolarHBondContact O-N 3Å; E1692-V1696 WeakPolarHBondContact O-CG2 3.38Å; E1692-V1696 PolarHBondContact O-N 2.89Å |
| 1693 | Q | 69.7 | Low | 68.7 | Low | 143 Ų | 143 | 106.5 Ų | 106.5 | 67% | 0.668 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -40.8 | 173.3 | -75.9 | -177.2 | -32.7 | 0 | 0 | 112.3 | K1689 A1690 V1696 Q1697 | K1689-Q1693 WeakPolarHBondContact O-CB 3.42Å; K1689-Q1693 WeakPolarHBondContact O-CG 3.34Å; K1689-Q1693 PolarHBondContact O-N 2.84Å; A1690-Q1693 PolarHBondContact O-N 3.18Å; Q1693-V1696 PolarHBondContact O-N 2.84Å; Q1693-Q1697 VanDerWaalsContact O-CB 3.3Å; Q1693-Q1697 WeakPolarHBondContact O-CB 3.48Å; Q1693-Q1697 PolarHBondContact O-N 3.24Å |
| 1694 | E | 71.2 | Confident | 67.1 | Low | 124 Ų | 124 | 106.6 Ų | 106.6 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.2 | -37.7 | 177.1 | -172.3 | 171.4 | -139.8 | 0 | 0 | 112 | A1690 R1691 Q1697 L1698 | A1690-E1694 VanDerWaalsContact O-CB 3.28Å; A1690-E1694 WeakPolarHBondContact O-CB 3.07Å; A1690-E1694 PolarHBondContact O-N 2.95Å; R1691-E1694 PolarHBondContact O-N 2.84Å; E1694-Q1697 WeakPolarHBondContact O-CB 3.41Å; E1694-Q1697 PolarHBondContact O-N 3.41Å; E1694-L1698 HydrophobicContact CG-CD1 4.28Å; E1694-L1698 WeakPolarHBondContact O-CB 3.34Å; E1694-L1698 VanDerWaalsContact O-CG 3.29Å; E1694-L1698 WeakPolarHBondContact O-CG 3.35Å; E1694-L1698 PolarHBondContact O-N 2.9Å |
| 1695 | Q | 67.7 | Low | 65.5 | Low | 136 Ų | 136 | 104.7 Ų | 104.7 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.9 | -41.5 | 171.3 | -80.3 | -170.7 | -36.2 | 0 | 0 | 112.2 | R1691 E1692 Q1697 L1698 H1699 | R1691-Q1695 WeakPolarHBondContact O-CB 3.47Å; R1691-Q1695 WeakPolarHBondContact O-CG 3.39Å; R1691-Q1695 PolarHBondContact O-N 3.39Å; E1692-Q1695 PolarHBondContact O-N 3Å; Q1695-Q1697 VanDerWaalsContact C-N 3.35Å; Q1695-L1698 PolarHBondContact O-N 3.36Å; Q1695-H1699 WeakPolarHBondContact O-CB 3.26Å; Q1695-H1699 PolarHBondContact O-N 3.31Å |
| 1696 | V | 67.1 | Low | 63.8 | Low | 72 Ų | 72 | 104.1 Ų | 104.1 | 44% | 0.436 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 173.6 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | E1692 Q1693 H1699 I1700 | E1692-V1696 WeakPolarHBondContact O-CG2 3.38Å; E1692-V1696 PolarHBondContact O-N 2.89Å; Q1693-V1696 PolarHBondContact O-N 2.84Å; V1696-H1699 PolarHBondContact O-N 3.31Å; V1696-I1700 HydrophobicContact CG1-CD1 3.95Å; V1696-I1700 WeakPolarHBondContact O-CB 3.25Å; V1696-I1700 VanDerWaalsContact O-CG1 3.3Å; V1696-I1700 WeakPolarHBondContact O-CG1 3.47Å; V1696-I1700 PolarHBondContact O-N 2.98Å |
| 1697 | Q | 68.6 | Low | 62 | Low | 118 Ų | 118 | 103.2 Ų | 103.2 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61 | -44 | 174.8 | -165.8 | 75.1 | 41.2 | 0 | 0 | 111.3 | Q1693 E1694 Q1695 Q1701 | Q1693-Q1697 VanDerWaalsContact O-CB 3.3Å; Q1693-Q1697 WeakPolarHBondContact O-CB 3.48Å; Q1693-Q1697 PolarHBondContact O-N 3.24Å; E1694-Q1697 WeakPolarHBondContact O-CB 3.41Å; E1694-Q1697 PolarHBondContact O-N 3.41Å; Q1695-Q1697 VanDerWaalsContact C-N 3.35Å; Q1697-Q1701 WeakPolarHBondContact O-CB 3.21Å; Q1697-Q1701 PolarHBondContact O-N 3.13Å |
| 1698 | L | 67.5 | Low | 59.9 | Low | 91 Ų | 91 | 103.1 Ų | 103.1 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.5 | -38.2 | 177 | -78.1 | 167.7 | 0 | 0 | 0 | 112.7 | E1694 Q1695 Q1701 Q1702 | E1694-L1698 HydrophobicContact CG-CD1 4.28Å; E1694-L1698 WeakPolarHBondContact O-CB 3.34Å; E1694-L1698 VanDerWaalsContact O-CG 3.29Å; E1694-L1698 WeakPolarHBondContact O-CG 3.35Å; E1694-L1698 PolarHBondContact O-N 2.9Å; Q1695-L1698 PolarHBondContact O-N 3.36Å; L1698-Q1701 CarbonylContact O-C 3.58Å; L1698-Q1701 WeakPolarHBondContact O-CB 3.45Å; L1698-Q1701 PolarHBondContact O-N 2.78Å; L1698-Q1702 WeakPolarHBondContact O-CB 3.5Å; L1698-Q1702 WeakPolarHBondContact O-CG 3.46Å; L1698-Q1702 PolarHBondContact O-N 3.3Å |
| 1699 | H | 63 | Low | 57.9 | Low | 103 Ų | 103 | 104.6 Ų | 104.6 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 176.3 | -167.2 | 78.2 | 0 | 0 | 0 | 111.1 | Q1695 V1696 Q1702 Q1703 | Q1695-H1699 WeakPolarHBondContact O-CB 3.26Å; Q1695-H1699 PolarHBondContact O-N 3.31Å; V1696-H1699 PolarHBondContact O-N 3.31Å; H1699-Q1702 PolarHBondContact O-N 3.32Å; H1699-Q1703 PolarHBondContact CD2-NE2 3.41Å; H1699-Q1703 VanDerWaalsContact CD2-NE2 3.31Å; H1699-Q1703 PolarHBondContact NE2-NE2 3.02Å; H1699-Q1703 WeakPolarHBondContact O-CG 3.23Å; H1699-Q1703 PolarHBondContact O-N 3.03Å |
| 1700 | I | 59.8 | Low | 55.5 | Low | 73 Ų | 73 | 104.9 Ų | 104.9 | 37% | 0.374 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.1 | -42.9 | 170.3 | -68.7 | 166.8 | 0 | 0 | 0 | 110.7 | V1696 Q1702 Q1703 I1704 | V1696-I1700 HydrophobicContact CG1-CD1 3.95Å; V1696-I1700 WeakPolarHBondContact O-CB 3.25Å; V1696-I1700 VanDerWaalsContact O-CG1 3.3Å; V1696-I1700 WeakPolarHBondContact O-CG1 3.47Å; V1696-I1700 PolarHBondContact O-N 2.98Å; I1700-Q1702 VanDerWaalsContact C-N 3.32Å; I1700-Q1702 PolarHBondContact O-N 2.91Å; I1700-Q1703 PolarHBondContact O-N 2.94Å; I1700-I1704 HydrophobicContact CG2-CD1 3.89Å; I1700-I1704 VanDerWaalsContact O-CG1 3.31Å; I1700-I1704 WeakPolarHBondContact O-CG1 3.28Å; I1700-I1704 PolarHBondContact O-N 2.78Å |
| 1701 | Q | 63.7 | Low | 53.3 | Low | 105 Ų | 105 | 107.8 Ų | 107.8 | 49% | 0.491 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63 | -36.1 | 177.5 | -165 | 65.8 | 71 | 0 | 0 | 112.5 | Q1697 L1698 A1705 | Q1697-Q1701 WeakPolarHBondContact O-CB 3.21Å; Q1697-Q1701 PolarHBondContact O-N 3.13Å; L1698-Q1701 CarbonylContact O-C 3.58Å; L1698-Q1701 WeakPolarHBondContact O-CB 3.45Å; L1698-Q1701 PolarHBondContact O-N 2.78Å; Q1701-A1705 WeakPolarHBondContact O-CB 3.31Å; Q1701-A1705 PolarHBondContact O-N 3.41Å |
| 1702 | Q | 59.9 | Low | 51.2 | Low | 129 Ų | 129 | 109.3 Ų | 109.3 | 60% | 0.603 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.6 | -41 | 175.5 | -75.8 | 174.5 | -6.3 | 0 | 0 | 112.3 | L1698 H1699 I1700 I1704 A1705 A1706 | L1698-Q1702 WeakPolarHBondContact O-CB 3.5Å; L1698-Q1702 WeakPolarHBondContact O-CG 3.46Å; L1698-Q1702 PolarHBondContact O-N 3.3Å; H1699-Q1702 PolarHBondContact O-N 3.32Å; I1700-Q1702 VanDerWaalsContact C-N 3.32Å; I1700-Q1702 PolarHBondContact O-N 2.91Å; Q1702-I1704 VanDerWaalsContact C-N 3.32Å; Q1702-I1704 PolarHBondContact O-N 3.41Å; Q1702-A1705 PolarHBondContact O-N 3.49Å; Q1702-A1706 WeakPolarHBondContact O-CB 3.39Å; Q1702-A1706 PolarHBondContact O-N 3.45Å |
| 1703 | Q | 48.2 | Very low | 49.2 | Very low | 113 Ų | 113 | 111.1 Ų | 111.1 | 53% | 0.528 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.5 | -37.9 | 173.2 | -70.3 | -176.3 | 8.7 | 0 | 0 | 112 | H1699 I1700 T1707 | H1699-Q1703 PolarHBondContact CD2-NE2 3.41Å; H1699-Q1703 VanDerWaalsContact CD2-NE2 3.31Å; H1699-Q1703 PolarHBondContact NE2-NE2 3.02Å; H1699-Q1703 WeakPolarHBondContact O-CG 3.23Å; H1699-Q1703 PolarHBondContact O-N 3.03Å; I1700-Q1703 PolarHBondContact O-N 2.94Å; Q1703-T1707 PolarHBondContact O-N 2.97Å; Q1703-T1707 PolarHBondContact O-OG1 2.89Å |
| 1704 | I | 44.3 | Very low | 47.4 | Very low | 90 Ų | 90 | 110 Ų | 110 | 46% | 0.462 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.6 | -46 | 172.6 | -69 | 167.5 | 0 | 0 | 0 | 110.6 | I1700 Q1702 A1706 T1707 | I1700-I1704 HydrophobicContact CG2-CD1 3.89Å; I1700-I1704 VanDerWaalsContact O-CG1 3.31Å; I1700-I1704 WeakPolarHBondContact O-CG1 3.28Å; I1700-I1704 PolarHBondContact O-N 2.78Å; Q1702-I1704 VanDerWaalsContact C-N 3.32Å; Q1702-I1704 PolarHBondContact O-N 3.41Å; I1704-A1706 PolarHBondContact O-N 3.04Å; I1704-T1707 PolarHBondContact O-N 3.49Å; I1704-T1707 VanDerWaalsContact O-N 3.1Å |
| 1705 | A | 41.7 | Very low | 45.4 | Very low | 56 Ų | 56 | 109.6 Ų | 109.6 | 46% | 0.463 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.9 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1701 Q1702 T1707 C1708 | Q1701-A1705 WeakPolarHBondContact O-CB 3.31Å; Q1701-A1705 PolarHBondContact O-N 3.41Å; Q1702-A1705 PolarHBondContact O-N 3.49Å; A1705-T1707 PolarHBondContact O-N 2.95Å; A1705-C1708 PolarHBondContact O-N 3.23Å; A1705-C1708 VanDerWaalsContact O-N 3.15Å |
| 1706 | A | 37.6 | Very low | 43.6 | Very low | 80 Ų | 80 | 105.9 Ų | 105.9 | 66% | 0.661 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.7 | -20.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1702 I1704 | Q1702-A1706 WeakPolarHBondContact O-CB 3.39Å; Q1702-A1706 PolarHBondContact O-N 3.45Å; I1704-A1706 PolarHBondContact O-N 3.04Å |
| 1707 | T | 38 | Very low | 41.9 | Very low | 119 Ų | 119 | 108.3 Ų | 108.3 | 73% | 0.73 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -3.7 | 179.7 | -48.7 | 0 | 0 | 0 | 0 | 112.7 | Q1703 I1704 A1705 | Q1703-T1707 PolarHBondContact O-N 2.97Å; Q1703-T1707 PolarHBondContact O-OG1 2.89Å; I1704-T1707 PolarHBondContact O-N 3.49Å; I1704-T1707 VanDerWaalsContact O-N 3.1Å; A1705-T1707 PolarHBondContact O-N 2.95Å |
| 1708 | C | 29.3 | Very low | 40 | Very low | 104 Ų | 104 | 110 Ų | 110 | 70% | 0.703 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -104.8 | 12.2 | -175 | -69.7 | 0 | 0 | 0 | 0 | 115.5 | A1705 | A1705-C1708 PolarHBondContact O-N 3.23Å; A1705-C1708 VanDerWaalsContact O-N 3.15Å |
| 1709 | I | 28.4 | Very low | 38.6 | Very low | 151 Ų | 151 | 110.3 Ų | 110.3 | 77% | 0.774 | 65% | 0.649 | S | S | * | * | trans | -117.3 | 77 | 173.4 | -51.3 | -177.1 | 0 | 0 | 0 | 110.3 | ||||
| 1710 | S | 25.7 | Very low | 36.7 | Very low | 108 Ų | 108 | 112.5 Ų | 112.5 | 76% | 0.755 | 66% | 0.663 | S | S | * | * | trans | -156.8 | 78.8 | 166 | -85 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1711 | S | 26.4 | Very low | 35 | Very low | 113 Ų | 113 | 117 Ų | 117 | 79% | 0.79 | 68% | 0.683 | S | S | * | * | trans | 68.8 | 158.2 | 160.7 | -43.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1712 | L | 27.4 | Very low | 33.3 | Very low | 140 Ų | 140 | 116.9 Ų | 116.9 | 73% | 0.733 | 69% | 0.693 | S | S | * | * | cis | -144.4 | 167 | 21.4 | -72.8 | 157 | 0 | 0 | 0 | 110.8 | I1714 | L1712-I1714 HydrophobicContact CB-CD1 4Å; L1712-I1714 HydrophobicContact CB-CG1 3.59Å; L1712-I1714 HydrophobicContact CD1-CD1 3.68Å; L1712-I1714 HydrophobicContact CD1-CG1 3.95Å; L1712-I1714 HydrophobicContact CG-CD1 4.43Å; L1712-I1714 HydrophobicContact CG-CG1 4.25Å | ||
| 1713 | N | 27.9 | Very low | 31.7 | Very low | 165 Ų | 165 | 116.4 Ų | 116.4 | 88% | 0.882 | 70% | 0.704 | S | S | * | * | trans | -126.8 | 145.2 | 138 | -154.6 | -7.3 | 0 | 0 | 0 | 108.5 | ||||
| 1714 | I | 31.2 | Very low | 30.8 | Very low | 120 Ų | 120 | 115.2 Ų | 115.2 | 62% | 0.615 | 71% | 0.713 | S | S | * | * | trans | -132 | 142.5 | -151.8 | -52.6 | 173.5 | 0 | 0 | 0 | 111.6 | L1712 | L1712-I1714 HydrophobicContact CB-CD1 4Å; L1712-I1714 HydrophobicContact CB-CG1 3.59Å; L1712-I1714 HydrophobicContact CD1-CD1 3.68Å; L1712-I1714 HydrophobicContact CD1-CG1 3.95Å; L1712-I1714 HydrophobicContact CG-CD1 4.43Å; L1712-I1714 HydrophobicContact CG-CG1 4.25Å | ||
| 1715 | S | 29 | Very low | 30.1 | Very low | 116 Ų | 116 | 117.2 Ų | 117.2 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | trans | 141.2 | 142.8 | 143.9 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1716 | G | 30.7 | Very low | 29.4 | Very low | 58 Ų | 58 | 118.6 Ų | 118.6 | 60% | 0.598 | 74% | 0.742 | S | S | * | * | cis | -158.9 | 147.7 | -2.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1717 | T | 31.5 | Very low | 29 | Very low | 122 Ų | 122 | 122.3 Ų | 122.3 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | 72.9 | 106 | 87.6 | 62 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1718 | I | 29.5 | Very low | 28.4 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | 107.4 | 142 | 90.5 | -88.6 | 171.1 | 0 | 0 | 0 | 110.9 | |||||
| 1719 | P | 37 | Very low | 28.8 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 63% | 0.63 | 76% | 0.755 | S | S | * | * | cis | -144.6 | -170 | -23.1 | 43.6 | -24.2 | 0 | 0 | 0 | 115.1 | ||||
| 1720 | L | 24.2 | Very low | 29.3 | Very low | 150 Ų | 150 | 122 Ų | 122 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | 34.8 | 148.7 | 138.8 | -62.2 | 160.7 | 0 | 0 | 0 | 121.2 | ||||
| 1721 | Q | 23.7 | Very low | 29.4 | Very low | 168 Ų | 168 | 122.2 Ų | 122.2 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | cis | -167.7 | 170.1 | 26.8 | -147 | 165.8 | 20.6 | 0 | 0 | 113.8 | ||||
| 1722 | S | 27.2 | Very low | 29.7 | Very low | 102 Ų | 102 | 120.4 Ų | 120.4 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | 118 | 124.1 | 143.9 | 75.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1723 | S | 27.6 | Very low | 29.9 | Very low | 119 Ų | 119 | 117.3 Ų | 117.3 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | 49.7 | 148.5 | 153.4 | 47.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1724 | A | 29.1 | Very low | 30.1 | Very low | 87 Ų | 87 | 118.1 Ų | 118.1 | 72% | 0.719 | 72% | 0.719 | S | S | * | * | cis | -176.1 | 178.3 | -19.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1725 | T | 29.4 | Very low | 30.3 | Very low | 132 Ų | 132 | 120.4 Ų | 120.4 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | cis | -162.9 | 158.8 | 2.6 | -19 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1726 | A | 27.1 | Very low | 30.9 | Very low | 86 Ų | 86 | 120 Ų | 120 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | trans | 64.8 | 150.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1727 | I | 29.3 | Very low | 30.8 | Very low | 157 Ų | 157 | 123.1 Ų | 123.1 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | cis | -153.9 | 157.8 | -12.4 | -103.1 | 161.4 | 0 | 0 | 0 | 109.5 | ||||
| 1728 | N | 25.5 | Very low | 30.6 | Very low | 144 Ų | 144 | 123.3 Ų | 123.3 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | trans | -66.7 | -177.9 | -171.3 | -48.5 | -57.8 | 0 | 0 | 0 | 117.6 | ||||
| 1729 | P | 37.3 | Very low | 30.5 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | cis | -132.4 | -101 | 3.9 | 25.3 | 4.4 | 0 | 0 | 0 | 121.2 | ||||
| 1730 | P | 38.3 | Very low | 30 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | trans | -143.7 | 171.3 | -132.4 | 45.6 | -24.5 | 0 | 0 | 0 | 123.2 | ||||
| 1731 | S | 29.5 | Very low | 30.3 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | 72 | 164.3 | 143.6 | 68.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 1732 | S | 32.6 | Very low | 30.5 | Very low | 75 Ų | 75 | 118 Ų | 118 | 52% | 0.524 | 75% | 0.754 | S | S | . | * | cis | -174.1 | 129.9 | -39.3 | -169.1 | 0 | 0 | 0 | 0 | 117.3 | A1772 L1773 | S1732-A1772 WeakPolarHBondContact O-CA 3.48Å; S1732-L1773 PolarHBondContact O-N 3.22Å | ||
| 1733 | S | 31.3 | Very low | 30.6 | Very low | 74 Ų | 74 | 119.6 Ų | 119.6 | 52% | 0.517 | 76% | 0.76 | S | S | . | * | trans | 85.3 | 172.6 | 145.3 | -151.4 | 0 | 0 | 0 | 0 | 125.3 | A1772 | S1733-A1772 CarbonylContact O-C 3.36Å; S1733-A1772 WeakPolarHBondContact O-CA 3.36Å; S1733-A1772 PolarHBondContact O-N 2.83Å | ||
| 1734 | R | 32.3 | Very low | 30.6 | Very low | 183 Ų | 183 | 122.3 Ų | 122.3 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | 57.6 | 90.7 | 171.2 | -156.2 | 174.2 | -164.6 | -178.8 | 6.1 | 123.7 | L1773 | R1734-L1773 HydrophobicContact CB-CD1 3.91Å; R1734-L1773 HydrophobicContact CB-CG 3.81Å; R1734-L1773 HydrophobicContact CG-CD1 4.43Å | ||
| 1735 | M | 35.1 | Very low | 30.6 | Very low | 168 Ų | 168 | 125.2 Ų | 125.2 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | 52.4 | 154.7 | 128.3 | -61.3 | -63.2 | 177.1 | 0 | 0 | 123.1 | |||||
| 1736 | P | 40.6 | Very low | 30.7 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | cis | -145 | 178.9 | -29.2 | 37.8 | -16.2 | 0 | 0 | 0 | 117.8 | ||||
| 1737 | V | 29 | Very low | 31 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | trans | 73.2 | 135.6 | 158.1 | -134.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1738 | T | 26.5 | Very low | 31.1 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | 73.1 | 120.2 | 149.2 | 20.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 1739 | A | 27.9 | Very low | 31.8 | Very low | 102 Ų | 102 | 127 Ų | 127 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | trans | -162.2 | 162.4 | 143.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1740 | T | 27.3 | Very low | 31.3 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 90% | 0.902 | 74% | 0.742 | S | S | * | * | trans | -113.6 | 165.1 | -171 | 46.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1741 | A | 31 | Very low | 31.1 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 88% | 0.876 | 74% | 0.742 | S | S | * | * | trans | -111.9 | 149.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1742 | A | 27.1 | Very low | 31.1 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | trans | -114.8 | 155.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1743 | T | 29.9 | Very low | 31.2 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | trans | -124.2 | 134.7 | 173.6 | -61.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1744 | M | 27.3 | Very low | 31.2 | Very low | 177 Ų | 177 | 128.5 Ų | 128.5 | 87% | 0.872 | 73% | 0.733 | S | S | * | * | trans | -79.9 | 144.9 | 179.7 | -67.9 | -176.3 | 174.4 | 0 | 0 | 112.6 | ||||
| 1745 | Q | 28.4 | Very low | 31.1 | Very low | 148 Ų | 148 | 125.2 Ų | 125.2 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | trans | -139.1 | 140.2 | 164.3 | -71.9 | -173.2 | -22.7 | 0 | 0 | 110.2 | Y1747 | Q1745-Y1747 HydrophobicContact CB-CE2 4.24Å; Q1745-Y1747 PolarHBondContact OE1-OH 2.87Å | ||
| 1746 | F | 30.9 | Very low | 30.6 | Very low | 177 Ų | 177 | 125 Ų | 125 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | -94 | 136.3 | 171.9 | -66.6 | -91.4 | 0 | 0 | 0 | 109.5 | ||||
| 1747 | Y | 33.1 | Very low | 30.1 | Very low | 179 Ų | 179 | 125.7 Ų | 125.7 | 70% | 0.702 | 72% | 0.721 | S | S | * | * | trans | -106.9 | 124.6 | 174 | -75.9 | -94.2 | 0 | 0 | 0 | 110.2 | Q1745 | Q1745-Y1747 HydrophobicContact CB-CE2 4.24Å; Q1745-Y1747 PolarHBondContact OE1-OH 2.87Å | ||
| 1748 | Q | 31.6 | Very low | 29.8 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 65% | 0.645 | 72% | 0.72 | S | S | * | * | B | Isolated β-bridge | trans | -101.8 | 126.9 | 169.4 | -170.8 | 175.9 | 21.3 | 0 | 0 | 108.3 | G1752 V1754 | Q1748-G1752 PolarHBondContact NE2-O 2.86Å; Q1748-V1754 HydrophobicContact CG-CG2 4.25Å |
| 1749 | T | 40.9 | Very low | 29.9 | Very low | 63 Ų | 63 | 127.5 Ų | 127.5 | 39% | 0.387 | 72% | 0.72 | S | S | . | * | trans | -81 | 162.9 | -180 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | S1751 G1752 | T1749-S1751 PolarHBondContact O-N 3.3Å; T1749-S1751 PolarHBondContact OG1-OG 3.39Å; T1749-S1751 VanDerWaalsContact OG1-OG 3.14Å; T1749-G1752 PolarHBondContact O-N 3.48Å | ||
| 1750 | P | 27.1 | Very low | 30 | Very low | 152 Ų | 152 | 127.1 Ų | 127.1 | 99% | 0.987 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -5 | 177.4 | -25.2 | 35.9 | 0 | 0 | 0 | 115.9 | ||
| 1751 | S | 33.3 | Very low | 29.9 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 5.9 | 172.2 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | T1749 Q1753 | T1749-S1751 PolarHBondContact O-N 3.3Å; T1749-S1751 PolarHBondContact OG1-OG 3.39Å; T1749-S1751 VanDerWaalsContact OG1-OG 3.14Å; S1751-Q1753 VanDerWaalsContact C-N 3.3Å; S1751-Q1753 PolarHBondContact O-N 3.03Å |
| 1752 | G | 30.9 | Very low | 29.8 | Very low | 44 Ų | 44 | 126.1 Ų | 126.1 | 45% | 0.454 | 71% | 0.71 | S | S | . | * | trans | 80.8 | -4.7 | 170 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q1748 T1749 | Q1748-G1752 PolarHBondContact NE2-O 2.86Å; T1749-G1752 PolarHBondContact O-N 3.48Å | ||
| 1753 | Q | 34 | Very low | 29.8 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 61% | 0.607 | 71% | 0.706 | S | S | * | * | trans | -81.3 | 136.1 | 176.1 | -71.3 | -174.7 | -27.2 | 0 | 0 | 111.9 | S1751 | S1751-Q1753 VanDerWaalsContact C-N 3.3Å; S1751-Q1753 PolarHBondContact O-N 3.03Å | ||
| 1754 | V | 30.5 | Very low | 29.8 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 58% | 0.582 | 71% | 0.708 | S | S | * | * | B | Isolated β-bridge | trans | -99 | 114.5 | 169.4 | 178.5 | 0 | 0 | 0 | 0 | 107.4 | Q1748 | Q1748-V1754 HydrophobicContact CG-CG2 4.25Å |
| 1755 | I | 29.9 | Very low | 30 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 59% | 0.585 | 70% | 0.699 | S | S | * | * | trans | -105.5 | 118.3 | 179.6 | -54.9 | -178.9 | 0 | 0 | 0 | 109.1 | I1757 | I1755-I1757 HydrophobicContact CG2-CD1 4.3Å; I1755-I1757 HydrophobicContact CG2-CG1 3.8Å | ||
| 1756 | Q | 26 | Very low | 29.8 | Very low | 165 Ų | 165 | 123.1 Ų | 123.1 | 77% | 0.771 | 71% | 0.709 | S | S | * | * | trans | -91.4 | 104.8 | 173.9 | 178.3 | -177.3 | -7.9 | 0 | 0 | 109.2 | ||||
| 1757 | I | 29 | Very low | 29.9 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 62% | 0.621 | 71% | 0.707 | S | S | * | * | trans | -101.1 | 112.6 | 174 | -55.7 | -173.3 | 0 | 0 | 0 | 109.7 | I1755 | I1755-I1757 HydrophobicContact CG2-CD1 4.3Å; I1755-I1757 HydrophobicContact CG2-CG1 3.8Å | ||
| 1758 | V | 24.1 | Very low | 29.6 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 72% | 0.715 | 72% | 0.716 | S | S | * | * | trans | -83.8 | 112.1 | 168 | 177.8 | 0 | 0 | 0 | 0 | 108 | A1760 | V1758-A1760 PolarHBondContact O-N 3.49Š| ||
| 1759 | H | 28.2 | Very low | 29.6 | Very low | 168 Ų | 168 | 114.8 Ų | 114.8 | 78% | 0.778 | 71% | 0.71 | S | S | * | * | trans | -76.4 | 104.6 | 173.2 | -85.5 | -100.4 | 0 | 0 | 0 | 110.5 | ||||
| 1760 | A | 29.1 | Very low | 29.1 | Very low | 94 Ų | 94 | 120.5 Ų | 120.5 | 78% | 0.777 | 73% | 0.732 | S | S | * | * | trans | -68.1 | 137.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | V1758 | V1758-A1760 PolarHBondContact O-N 3.49Š| ||
| 1761 | S | 24.8 | Very low | 29 | Very low | 111 Ų | 111 | 120 Ų | 120 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | -84.4 | 118.2 | -168.5 | 54 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1762 | S | 28.8 | Very low | 28.8 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | trans | -91.7 | 109.5 | 163 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1763 | T | 27.8 | Very low | 28.6 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | -87.1 | 129.3 | 180 | 49.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1764 | T | 30.6 | Very low | 28.7 | Very low | 144 Ų | 144 | 119.5 Ų | 119.5 | 88% | 0.883 | 72% | 0.719 | S | S | * | * | trans | -157 | 147.4 | 138.4 | 14.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1765 | P | 30.1 | Very low | 28.5 | Very low | 105 Ų | 105 | 119.3 Ų | 119.3 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | trans | -113.2 | 161.3 | -148.6 | 39.8 | -33.2 | 0 | 0 | 0 | 116.3 | ||||
| 1766 | S | 25.7 | Very low | 28.4 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | trans | -133 | 146.7 | 140.1 | -77.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1767 | V | 32.9 | Very low | 28.5 | Very low | 122 Ų | 122 | 118.9 Ų | 118.9 | 74% | 0.739 | 73% | 0.725 | S | S | * | * | trans | -99.2 | 145.7 | -152.1 | 174.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1768 | V | 26 | Very low | 28.6 | Very low | 146 Ų | 146 | 118.7 Ų | 118.7 | 89% | 0.885 | 73% | 0.729 | S | S | * | * | trans | -125.8 | 128.7 | 158.1 | 177.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1769 | G | 31.3 | Very low | 28.8 | Very low | 51 Ų | 51 | 119.1 Ų | 119.1 | 53% | 0.526 | 73% | 0.732 | S | S | . | * | trans | 130.8 | 141.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1770 | H | 30.2 | Very low | 28.8 | Very low | 183 Ų | 183 | 115 Ų | 115 | 85% | 0.847 | 73% | 0.727 | S | S | * | * | cis | -147.3 | 170.7 | -2.9 | -87.6 | -20 | 0 | 0 | 0 | 109.8 | ||||
| 1771 | N | 26.1 | Very low | 28.7 | Very low | 142 Ų | 142 | 116.1 Ų | 116.1 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | -3.9 | 131.4 | 160.7 | -53.2 | -28.4 | 0 | 0 | 0 | 119.4 | ||||
| 1772 | A | 29.4 | Very low | 29.4 | Very low | 65 Ų | 65 | 116.8 Ų | 116.8 | 54% | 0.537 | 73% | 0.731 | S | S | . | * | trans | 144 | 138.6 | 132.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1732 S1733 | S1732-A1772 WeakPolarHBondContact O-CA 3.48Å; S1733-A1772 CarbonylContact O-C 3.36Å; S1733-A1772 WeakPolarHBondContact O-CA 3.36Å; S1733-A1772 PolarHBondContact O-N 2.83Å | ||
| 1773 | L | 26.8 | Very low | 29.3 | Very low | 90 Ų | 90 | 115.9 Ų | 115.9 | 47% | 0.471 | 73% | 0.73 | S | S | . | * | trans | -94.3 | -166 | 158.7 | -108.8 | -176.6 | 0 | 0 | 0 | 107.8 | S1732 R1734 | S1732-L1773 PolarHBondContact O-N 3.22Å; R1734-L1773 HydrophobicContact CB-CD1 3.91Å; R1734-L1773 HydrophobicContact CB-CG 3.81Å; R1734-L1773 HydrophobicContact CG-CD1 4.43Å | ||
| 1774 | P | 35.7 | Very low | 29.3 | Very low | 103 Ų | 103 | 118.8 Ų | 118.8 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | cis | -133.1 | 168.7 | 6.8 | 42.4 | -26 | 0 | 0 | 0 | 117.2 | ||||
| 1775 | S | 26.5 | Very low | 29.5 | Very low | 91 Ų | 91 | 117 Ų | 117 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | trans | 67.3 | 158 | 158.4 | -65.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1776 | Q | 27.6 | Very low | 29.2 | Very low | 163 Ų | 163 | 116.1 Ų | 116.1 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | cis | -169 | 155.1 | -6.7 | -115.7 | 175.9 | 79.2 | 0 | 0 | 107 | ||||
| 1777 | T | 27.1 | Very low | 29.1 | Very low | 107 Ų | 107 | 116.7 Ų | 116.7 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | cis | -158.8 | -162.5 | -0.9 | -30 | 0 | 0 | 0 | 0 | 108 | ||||
| 1778 | V | 30.9 | Very low | 28.7 | Very low | 117 Ų | 117 | 117.7 Ų | 117.7 | 71% | 0.709 | 72% | 0.721 | S | S | * | * | trans | 73.5 | 97.4 | 141.4 | 161.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1779 | T | 28.6 | Very low | 28.8 | Very low | 127 Ų | 127 | 116.8 Ų | 116.8 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | 48.5 | 152.4 | 127.7 | 62.8 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1780 | A | 29.3 | Very low | 28.6 | Very low | 81 Ų | 81 | 123 Ų | 123 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | cis | -174.5 | 163.5 | -17.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1781 | S | 25.7 | Very low | 28.6 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | trans | 67.5 | 155.7 | 153.2 | -63.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1782 | P | 40.6 | Very low | 28.5 | Very low | 126 Ų | 126 | 119.6 Ų | 119.6 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -109.9 | 161.6 | -173.8 | 41 | -33.2 | 0 | 0 | 0 | 114.4 | ||||
| 1783 | A | 27.2 | Very low | 28.4 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -155.6 | 151.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1784 | Q | 27.7 | Very low | 28.5 | Very low | 184 Ų | 184 | 127.7 Ų | 127.7 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -91.7 | -164.8 | 159.3 | -38.6 | 171.3 | -47.8 | 0 | 0 | 108.2 | ||||
| 1785 | P | 33.4 | Very low | 28.2 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -130.2 | 173 | -33.3 | 27.8 | -8.2 | 0 | 0 | 0 | 113.2 | ||||
| 1786 | A | 24.7 | Very low | 28.1 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 64.4 | 160.3 | 141.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1787 | N | 23.3 | Very low | 28.2 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | 83.8 | 121.2 | 151.5 | -77.2 | -13.9 | 0 | 0 | 0 | 122.4 | ||||
| 1788 | I | 24.2 | Very low | 28.2 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 66.8 | 115.5 | 132.2 | -58.7 | 167 | 0 | 0 | 0 | 114.8 | ||||
| 1789 | V | 27.8 | Very low | 28 | Very low | 127 Ų | 127 | 132 Ų | 132 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | -143.5 | 157.7 | 63.4 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1790 | Q | 28.5 | Very low | 27.8 | Very low | 182 Ų | 182 | 130.3 Ų | 130.3 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -69.6 | 139.7 | 173.1 | -57.8 | 148.6 | -67.8 | 0 | 0 | 112.6 | ||||
| 1791 | T | 30.1 | Very low | 27.7 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -137 | 133.6 | 150.9 | -40.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1792 | T | 23.5 | Very low | 27.7 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -80.5 | 179.8 | -179.9 | 41.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1793 | Y | 27.4 | Very low | 26.9 | Very low | 227 Ų | 227 | 130.5 Ų | 130.5 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | 86.8 | 79.5 | 174.2 | -61.1 | -81.4 | 0 | 0 | 0 | 118.1 | ||||
| 1794 | A | 28.1 | Very low | 27.2 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -145.4 | 96.4 | 144.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1795 | T | 29.5 | Very low | 27.2 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | 56.8 | 94.7 | 155.7 | -40.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1796 | I | 25.3 | Very low | 27 | Very low | 162 Ų | 162 | 128 Ų | 128 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -72.1 | 143.8 | 151.2 | -72.2 | 167.7 | 0 | 0 | 0 | 107.4 | ||||
| 1797 | P | 29.7 | Very low | 27.1 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | -143.9 | 175.4 | 56.5 | 42 | -23.3 | 0 | 0 | 0 | 118.4 | |||||
| 1798 | A | 27 | Very low | 27.5 | Very low | 86 Ų | 86 | 129.1 Ų | 129.1 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -116.9 | 178.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1799 | I | 25.9 | Very low | 27.6 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 78.7 | 107.5 | 167.9 | -45.7 | 176 | 0 | 0 | 0 | 116.5 | ||||
| 1800 | A | 26.1 | Very low | 27.6 | Very low | 91 Ų | 91 | 130 Ų | 130 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | 60.8 | 131 | 147.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1801 | S | 25.9 | Very low | 27.3 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | 75.5 | 128 | 145.1 | -152.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 1802 | A | 25.5 | Very low | 27.1 | Very low | 85 Ų | 85 | 128.4 Ų | 128.4 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | trans | 65.4 | 117.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1803 | C | 24.8 | Very low | 27.2 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | 36.9 | 157.2 | 127.3 | -65.9 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1804 | P | 33.9 | Very low | 27 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | cis | -140.3 | 168.5 | -18.4 | 37.5 | -18.4 | 0 | 0 | 0 | 116.5 | ||||
| 1805 | V | 27.2 | Very low | 26.9 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | 47.5 | 126 | 138 | 176.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1806 | A | 29.4 | Very low | 26.7 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | -160 | 148 | 67.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1807 | T | 26.9 | Very low | 26.7 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | trans | -117.9 | 141.8 | 160.9 | 45.2 | 0 | 0 | 0 | 0 | 109.7 | T1809 | T1807-T1809 PolarHBondContact O-N 3.35Š| ||
| 1808 | P | 31 | Very low | 26.6 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -83.3 | 90.4 | 173.7 | 32.2 | -32.2 | 0 | 0 | 0 | 110.7 | ||||
| 1809 | T | 25.7 | Very low | 26.6 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -75 | 144 | 165.8 | 43.3 | 0 | 0 | 0 | 0 | 110.8 | T1807 | T1807-T1809 PolarHBondContact O-N 3.35Š| ||
| 1810 | H | 27.6 | Very low | 27.1 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -122.6 | 100.8 | 168.2 | -114.3 | -85.2 | 0 | 0 | 0 | 111.2 | ||||
| 1811 | Q | 23.3 | Very low | 27 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | trans | 48.7 | 94.8 | 145.4 | -61.7 | 170.6 | -52.7 | 0 | 0 | 119 | ||||
| 1812 | V | 25.9 | Very low | 27.1 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | -120.3 | 141 | 115.5 | 177.7 | 0 | 0 | 0 | 0 | 107 | |||||
| 1813 | V | 25 | Very low | 27.1 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 59% | 0.588 | 80% | 0.795 | S | S | * | * | trans | -112.3 | 121.7 | -172.9 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | Q1815 | V1813-Q1815 HydrophobicContact CG1-CB 3.96Š| ||
| 1814 | Y | 23.9 | Very low | 27 | Very low | 227 Ų | 227 | 144.1 Ų | 144.1 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -116.2 | 114.4 | 151.8 | -84.7 | -77.5 | 0 | 0 | 0 | 108.3 | ||||
| 1815 | Q | 25 | Very low | 26.9 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -110.9 | 103 | -175.3 | -174.1 | 175.1 | 0.1 | 0 | 0 | 110.7 | V1813 | V1813-Q1815 HydrophobicContact CG1-CB 3.96Š| ||
| 1816 | L | 26.4 | Very low | 26.8 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 95% | 0.953 | 79% | 0.787 | S | S | * | * | trans | -128.9 | 111.3 | 162.6 | -84.3 | 172.1 | 0 | 0 | 0 | 108.4 | ||||
| 1817 | S | 25.3 | Very low | 26.6 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -146.9 | 122.5 | 178.4 | 56.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1818 | N | 27.1 | Very low | 26.7 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -92.9 | 149.2 | 168.4 | -99 | -30.2 | 0 | 0 | 0 | 110.2 | ||||
| 1819 | Q | 26.8 | Very low | 26.3 | Very low | 198 Ų | 198 | 145.4 Ų | 145.4 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -139.4 | 151.7 | 145 | -86.5 | -160.8 | -9.8 | 0 | 0 | 109.7 | ||||
| 1820 | Q | 36.1 | Very low | 26.5 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -135.6 | 127.1 | -176.3 | -68.3 | 179.9 | -26.8 | 0 | 0 | 110.4 | ||||
| 1821 | H | 25.4 | Very low | 26.4 | Very low | 202 Ų | 202 | 140.1 Ų | 140.1 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | -176.1 | 147.8 | 126 | -101.6 | -72 | 0 | 0 | 0 | 107.7 | |||||
| 1822 | G | 26.3 | Very low | 26.7 | Very low | 72 Ų | 72 | 136.9 Ų | 136.9 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -117.9 | 164.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1823 | I | 25.1 | Very low | 26.8 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -140.9 | 154.7 | 157.6 | -99.2 | 164.5 | 0 | 0 | 0 | 108.4 | ||||
| 1824 | L | 22.9 | Very low | 27.1 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -45.7 | 168.7 | 175.9 | -73.4 | 164.1 | 0 | 0 | 0 | 116.3 | ||||
| 1825 | P | 33.6 | Very low | 27.2 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | cis | -134.9 | 157.4 | 16.2 | 27.7 | -4.5 | 0 | 0 | 0 | 119 | ||||
| 1826 | N | 25.2 | Very low | 27.6 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | 30.1 | 126.9 | 136.6 | -52.8 | -11 | 0 | 0 | 0 | 121.7 | ||||
| 1827 | G | 24.2 | Very low | 27.8 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | 89.8 | 150.1 | 134.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1828 | T | 28.9 | Very low | 27.7 | Very low | 145 Ų | 145 | 135 Ų | 135 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | cis | -133.5 | 147.8 | 15 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1829 | V | 23.6 | Very low | 27.6 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -69.8 | 132.3 | 178.2 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1830 | G | 29 | Very low | 27.5 | Very low | 60 Ų | 60 | 135.4 Ų | 135.4 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | trans | -154.2 | 94.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1831 | S | 26.1 | Very low | 27.1 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | 62.9 | 98.4 | 86.3 | 72.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1832 | G | 29.2 | Very low | 27 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | -163 | 17.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1833 | T | 27.1 | Very low | 27 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | -66.1 | 162.7 | 159 | 36.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1834 | P | 31.7 | Very low | 27.1 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | cis | -140.9 | -158.4 | -11.6 | 36.9 | -14.8 | 0 | 0 | 0 | 113.4 | ||||
| 1835 | Q | 26.4 | Very low | 27.7 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | 69.8 | 129.6 | 155.4 | -71.8 | 164.1 | -4.2 | 0 | 0 | 116.6 | ||||
| 1836 | Q | 33.4 | Very low | 27.5 | Very low | 184 Ų | 184 | 134.2 Ų | 134.2 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | cis | 63.6 | 146 | 45.2 | -61 | -158.5 | -1 | 0 | 0 | 113.5 | ||||
| 1837 | P | 30 | Very low | 27.7 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | cis | -145 | -173.7 | 21.6 | 44.6 | -25.3 | 0 | 0 | 0 | 117.7 | ||||
| 1838 | F | 24.3 | Very low | 27.8 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | 52.9 | 139.5 | 142.5 | -81.2 | -56.4 | 0 | 0 | 0 | 125.2 | ||||
| 1839 | Y | 25.3 | Very low | 27.8 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | 53 | 109.4 | 153.8 | -74.5 | -76.3 | 0 | 0 | 0 | 121.9 | ||||
| 1840 | Q | 24.2 | Very low | 28.1 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | 33.5 | 134.3 | 119 | -170.8 | -177.5 | 10.3 | 0 | 0 | 120.2 | |||||
| 1841 | P | 27.4 | Very low | 28.4 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | cis | -136.7 | -176.2 | -14.8 | 41.7 | -24 | 0 | 0 | 0 | 115.9 | ||||
| 1842 | Q | 23.2 | Very low | 28.8 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 75.7 | 140.6 | 159 | -82.4 | -160.2 | -18.7 | 0 | 0 | 122.4 | ||||
| 1843 | L | 26.2 | Very low | 28.6 | Very low | 120 Ų | 120 | 153.8 Ų | 153.8 | 63% | 0.628 | 77% | 0.766 | S | S | * | * | trans | 45.7 | 119.6 | 155.5 | -76 | 101.1 | 0 | 0 | 0 | 120.4 | ||||
| 1844 | H | 27.1 | Very low | 28.4 | Very low | 154 Ų | 154 | 154 Ų | 154 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | 73.2 | 157.4 | 79 | -94.5 | 49.4 | 0 | 0 | 0 | 115.5 | |||||
| 1845 | P | 35.4 | Very low | 28 | Very low | 96 Ų | 96 | 156.6 Ų | 156.6 | 62% | 0.623 | 77% | 0.769 | S | S | * | * | cis | -135.5 | 171.2 | -11 | 40 | -23.8 | 0 | 0 | 0 | 115.7 | ||||
| 1846 | Q | 28.8 | Very low | 28 | Very low | 188 Ų | 188 | 154.4 Ų | 154.4 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 147.6 | 129.8 | 144.9 | -84 | -178.6 | 24.5 | 0 | 0 | 108.7 | ||
| 1847 | T | 29.7 | Very low | 27.5 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | S | Bend | cis | -114.1 | 120.3 | 4.7 | 34.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1848 | Q | 27.2 | Very low | 27.3 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | 32.8 | 133 | 150.2 | -60.7 | 174 | -6.1 | 0 | 0 | 122.1 | ||||
| 1849 | Q | 27.6 | Very low | 27.4 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | cis | -167.1 | 142.4 | -27.9 | -129.6 | 165.3 | -11.1 | 0 | 0 | 111.2 | ||||
| 1850 | Q | 30.4 | Very low | 27.6 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -106.4 | -167.5 | 162.1 | -68.6 | -170.2 | -14.4 | 0 | 0 | 107.9 | ||||
| 1851 | P | 35.9 | Very low | 27.7 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | cis | -144.6 | -159.2 | 6.4 | 44.6 | -22.5 | 0 | 0 | 0 | 116 | ||||
| 1852 | Q | 34.6 | Very low | 27.6 | Very low | 191 Ų | 191 | 138.8 Ų | 138.8 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | trans | -79.5 | 138.7 | -180 | -59.4 | 174.1 | -11.6 | 0 | 0 | 114.8 | ||||
| 1853 | R | 24.5 | Very low | 27.8 | Very low | 227 Ų | 227 | 136.1 Ų | 136.1 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | trans | -167.4 | 153.7 | 134.3 | -125.1 | -177 | -178.1 | -165.2 | 1 | 111.9 | ||||
| 1854 | L | 22.9 | Very low | 28 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 72% | 0.723 | 75% | 0.745 | S | S | * | * | trans | 27 | 152.5 | 146.3 | -86.5 | 163.4 | 0 | 0 | 0 | 122.2 | ||||
| 1855 | L | 24.1 | Very low | 28.3 | Very low | 151 Ų | 151 | 134 Ų | 134 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | 79.6 | 129.9 | 164.8 | -69.2 | 162.2 | 0 | 0 | 0 | 118.1 | ||||
| 1856 | V | 25.3 | Very low | 28.1 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 74.2 | 148.7 | 139.9 | 174.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1857 | A | 24.3 | Very low | 28.1 | Very low | 72 Ų | 72 | 135.7 Ų | 135.7 | 60% | 0.595 | 75% | 0.754 | S | S | * | * | trans | -38.3 | 138.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1858 | S | 24.3 | Very low | 28.1 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | 55 | 117.3 | 98 | -40 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1859 | S | 27.4 | Very low | 28 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 78 | 160.1 | 137.5 | 78.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1860 | V | 29.1 | Very low | 27.9 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | 59.7 | 154.3 | 169.2 | -69.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1861 | C | 25.7 | Very low | 27.7 | Very low | 95 Ų | 95 | 129 Ų | 129 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | cis | -130.8 | 172 | 13.5 | -131 | 0 | 0 | 0 | 0 | 109.3 | T1863 | C1861-T1863 VanDerWaalsContact SG-CG2 3.54Š| ||
| 1862 | S | 27 | Very low | 27.1 | Very low | 95 Ų | 95 | 126.4 Ų | 126.4 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | cis | -157.8 | 132.3 | 21.7 | -12.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1863 | T | 27.2 | Very low | 26.9 | Very low | 115 Ų | 115 | 123 Ų | 123 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | 69.3 | 169.9 | 90.9 | 72.4 | 0 | 0 | 0 | 0 | 112.8 | C1861 | C1861-T1863 VanDerWaalsContact SG-CG2 3.54Š| |||
| 1864 | P | 30.5 | Very low | 26.9 | Very low | 100 Ų | 100 | 115 Ų | 115 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | cis | -147.3 | 163.9 | 14.8 | 43.9 | -24.1 | 0 | 0 | 0 | 120.2 | ||||
| 1865 | T | 31.9 | Very low | 27.2 | Very low | 130 Ų | 130 | 115 Ų | 115 | 80% | 0.798 | 74% | 0.74 | S | S | * | * | trans | 64.7 | 162.8 | 152.4 | 24.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1866 | I | 32.5 | Very low | 27.4 | Very low | 129 Ų | 129 | 113.3 Ų | 113.3 | 66% | 0.662 | 74% | 0.736 | S | S | * | * | cis | -136.9 | 135.2 | 10.4 | -61.5 | 176.1 | 0 | 0 | 0 | 109.5 | ||||
| 1867 | M | 29.1 | Very low | 27.4 | Very low | 190 Ų | 190 | 113.5 Ų | 113.5 | 94% | 0.936 | 74% | 0.737 | S | S | * | * | trans | 58.4 | 169.5 | 158.4 | -68.7 | 167.8 | -166.4 | 0 | 0 | 118.3 | ||||
| 1868 | G | 29 | Very low | 28.6 | Very low | 70 Ų | 70 | 115.1 Ų | 115.1 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | cis | -179.8 | 162.4 | -12.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1869 | T | 24.6 | Very low | 29.1 | Very low | 140 Ų | 140 | 115.3 Ų | 115.3 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | trans | -80 | 176.1 | 178.1 | -34 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1870 | V | 26.6 | Very low | 29.5 | Very low | 116 Ų | 116 | 116.2 Ų | 116.2 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | trans | 97.6 | 107.9 | 159.6 | -172.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1871 | I | 24.7 | Very low | 29.4 | Very low | 167 Ų | 167 | 117 Ų | 117 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | trans | 27.3 | 124.2 | 130.8 | -47.1 | 165.7 | 0 | 0 | 0 | 117.7 | ||||
| 1872 | G | 24.3 | Very low | 29.8 | Very low | 65 Ų | 65 | 117.5 Ų | 117.5 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | trans | -176.5 | 124 | 158.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1873 | S | 29.2 | Very low | 30.1 | Very low | 121 Ų | 121 | 119 Ų | 119 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | -34.4 | 137.5 | 151.1 | 44.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1874 | G | 25.4 | Very low | 30.3 | Very low | 58 Ų | 58 | 116.2 Ų | 116.2 | 60% | 0.598 | 74% | 0.741 | S | S | * | * | cis | 99.6 | 163.7 | 28.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1875 | T | 29.3 | Very low | 30.4 | Very low | 138 Ų | 138 | 117.5 Ų | 117.5 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | trans | 63.6 | 143.2 | -173 | 63.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1876 | T | 27.4 | Very low | 30.2 | Very low | 115 Ų | 115 | 117.6 Ų | 117.6 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | cis | -156.5 | 124 | -9.3 | 8.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1877 | V | 26.2 | Very low | 30.2 | Very low | 132 Ų | 132 | 117.5 Ų | 117.5 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | 83.8 | 141.4 | 96.4 | 162.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1878 | P | 49.3 | Very low | 30.4 | Very low | 105 Ų | 105 | 111.5 Ų | 111.5 | 68% | 0.682 | 74% | 0.736 | S | S | * | * | trans | -95.6 | -165.5 | -168.2 | 41 | -37.9 | 0 | 0 | 0 | 112.6 | ||||
| 1879 | P | 34 | Very low | 30.6 | Very low | 105 Ų | 105 | 114 Ų | 114 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | -135.2 | -178.5 | 114.9 | 38.5 | -26 | 0 | 0 | 0 | 111 | |||||
| 1880 | V | 36.6 | Very low | 30.6 | Very low | 121 Ų | 121 | 111.1 Ų | 111.1 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | cis | -140.1 | 129.9 | 19.6 | -161.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1881 | L | 26.8 | Very low | 30.5 | Very low | 149 Ų | 149 | 113.8 Ų | 113.8 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | 59.5 | 162.6 | 62.6 | -73.2 | 175.1 | 0 | 0 | 0 | 113.9 | |||||
| 1882 | P | 34.1 | Very low | 31.1 | Very low | 106 Ų | 106 | 110.6 Ų | 110.6 | 69% | 0.688 | 72% | 0.722 | S | S | * | * | cis | -116.5 | -160.3 | -21.8 | 32.7 | -11.9 | 0 | 0 | 0 | 109 | ||||
| 1883 | V | 32.9 | Very low | 31.2 | Very low | 128 Ų | 128 | 113.9 Ų | 113.9 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | cis | -139.5 | 144.2 | -1.1 | -168.7 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 1884 | G | 31.8 | Very low | 31.1 | Very low | 56 Ų | 56 | 113.4 Ų | 113.4 | 58% | 0.577 | 72% | 0.715 | S | S | * | * | cis | 127.6 | 157.9 | 8.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1885 | T | 32.8 | Very low | 31.1 | Very low | 127 Ų | 127 | 117.4 Ų | 117.4 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | trans | 65.7 | 161.5 | 173.1 | 85.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1886 | N | 28 | Very low | 31.1 | Very low | 132 Ų | 132 | 118.6 Ų | 118.6 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | cis | -159.6 | 178.2 | -29 | -109.1 | -15.7 | 0 | 0 | 0 | 109 | ||||
| 1887 | T | 33.1 | Very low | 30.9 | Very low | 127 Ų | 127 | 116.8 Ų | 116.8 | 78% | 0.779 | 71% | 0.711 | S | S | * | * | trans | 50.6 | 108.2 | 147.7 | 47.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1888 | G | 31.3 | Very low | 30.8 | Very low | 64 Ų | 64 | 119.5 Ų | 119.5 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | -69.6 | -171.6 | 128.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1889 | P | 34.5 | Very low | 29.8 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | cis | -149.3 | -156.4 | 44.5 | 41.9 | -20.2 | 0 | 0 | 0 | 114 | ||||
| 1890 | S | 24.8 | Very low | 29.3 | Very low | 80 Ų | 80 | 123.6 Ų | 123.6 | 56% | 0.559 | 72% | 0.723 | S | S | * | * | trans | -20.1 | 144.8 | 154.5 | 59.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1891 | M | 24.7 | Very low | 28.8 | Very low | 173 Ų | 173 | 125.1 Ų | 125.1 | 85% | 0.852 | 73% | 0.727 | S | S | * | * | -159.7 | 156.5 | 106.2 | -93.6 | -79.7 | 138.9 | 0 | 0 | 109.1 | |||||
| 1892 | P | 36.3 | Very low | 28.7 | Very low | 100 Ų | 100 | 121.1 Ų | 121.1 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | trans | -146.2 | -134.7 | -132 | 40 | -15 | 0 | 0 | 0 | 111.9 | ||||
| 1893 | N | 25.9 | Very low | 28.3 | Very low | 133 Ų | 133 | 120.8 Ų | 120.8 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | trans | 86.6 | 160.6 | 146.7 | -158.6 | 16.7 | 0 | 0 | 0 | 117.1 | ||||
| 1894 | V | 28.2 | Very low | 27.9 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 67% | 0.673 | 73% | 0.727 | S | S | * | * | trans | 69.7 | 123.1 | 168.3 | -170.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1895 | Q | 26 | Very low | 27.6 | Very low | 142 Ų | 142 | 122 Ų | 122 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | cis | -169.7 | 166.9 | -21.2 | -124.1 | 165.9 | 11.7 | 0 | 0 | 108.7 | ||||
| 1896 | Q | 28.3 | Very low | 27.2 | Very low | 164 Ų | 164 | 121.1 Ų | 121.1 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | trans | 60.6 | 120.3 | 157.8 | -66.7 | 157.1 | 1 | 0 | 0 | 116.9 | ||||
| 1897 | A | 24.2 | Very low | 27.1 | Very low | 77 Ų | 77 | 121.3 Ų | 121.3 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | cis | 76.4 | 123.7 | 38.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1898 | Q | 23 | Very low | 26.7 | Very low | 189 Ų | 189 | 119.9 Ų | 119.9 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | trans | 67.1 | 149 | 163.4 | -55.8 | 158 | -31.4 | 0 | 0 | 113.1 | ||||
| 1899 | I | 27.8 | Very low | 26.3 | Very low | 149 Ų | 149 | 121.7 Ų | 121.7 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | cis | -143.2 | 126.7 | 31.4 | -76.9 | 177.8 | 0 | 0 | 0 | 106.3 | ||||
| 1900 | L | 24.4 | Very low | 25.9 | Very low | 146 Ų | 146 | 122.8 Ų | 122.8 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | 66.3 | 135.4 | 87.5 | -141.2 | 82.2 | 0 | 0 | 0 | 114.7 | |||||
| 1901 | L | 26.6 | Very low | 26 | Very low | 154 Ų | 154 | 122.9 Ų | 122.9 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | 67.2 | 141.6 | 171.1 | -51.9 | 166.4 | 0 | 0 | 0 | 116.2 | ||||
| 1902 | G | 24.6 | Very low | 26.2 | Very low | 65 Ų | 65 | 124.6 Ų | 124.6 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | cis | 140.3 | 165.3 | -11.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1903 | S | 24.4 | Very low | 26.1 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | 72.6 | 121.4 | 156 | -53.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1904 | T | 24.7 | Very low | 26.3 | Very low | 144 Ų | 144 | 123.4 Ų | 123.4 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | trans | 62.4 | 133.9 | 141.9 | 56.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1905 | G | 26.8 | Very low | 26.1 | Very low | 65 Ų | 65 | 125.9 Ų | 125.9 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | cis | 172.9 | -166.2 | -1.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1906 | S | 24.2 | Very low | 26.2 | Very low | 109 Ų | 109 | 123 Ų | 123 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 10.3 | 143.8 | 144.8 | 59.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1907 | V | 26.2 | Very low | 26 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | cis | -157.2 | 166.8 | 31.5 | -133.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1908 | S | 22.9 | Very low | 26.2 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | -45 | 155 | 163.5 | -37.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1909 | S | 24 | Very low | 26.3 | Very low | 102 Ų | 102 | 118.6 Ų | 118.6 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | 88.3 | 150 | 130.7 | 75.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1910 | T | 25.5 | Very low | 26.2 | Very low | 144 Ų | 144 | 119 Ų | 119 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | 75.9 | 136.9 | 166.5 | 70.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1911 | G | 26.4 | Very low | 26.2 | Very low | 82 Ų | 82 | 117.6 Ų | 117.6 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | 160.5 | 31.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1912 | F | 28.8 | Very low | 26.3 | Very low | 209 Ų | 209 | 116.2 Ų | 116.2 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | trans | -82.3 | 168 | 154.6 | -87.1 | -78.6 | 0 | 0 | 0 | 108.9 | ||||
| 1913 | P | 35.5 | Very low | 26.4 | Very low | 117 Ų | 117 | 118 Ų | 118 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | cis | -137.6 | -147.2 | 7.1 | 43.8 | -23.4 | 0 | 0 | 0 | 113.8 | ||||
| 1914 | A | 29 | Very low | 26.8 | Very low | 91 Ų | 91 | 120 Ų | 120 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | 85.9 | 122.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1915 | L | 24.4 | Very low | 27.1 | Very low | 164 Ų | 164 | 119.4 Ų | 119.4 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | cis | 87.2 | 131.1 | 18.8 | -153.2 | 160.9 | 0 | 0 | 0 | 114.6 | ||||
| 1916 | A | 27.4 | Very low | 27.9 | Very low | 80 Ų | 80 | 121.5 Ų | 121.5 | 66% | 0.661 | 78% | 0.779 | S | S | * | * | trans | 81.1 | 154.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1917 | Q | 24.8 | Very low | 28.4 | Very low | 191 Ų | 191 | 122.4 Ų | 122.4 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | cis | -166.5 | 162.3 | -22.1 | -110.5 | 174.4 | 9.7 | 0 | 0 | 109.1 | ||||
| 1918 | G | 29.1 | Very low | 28.9 | Very low | 75 Ų | 75 | 122.7 Ų | 122.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | 82.3 | 155.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1919 | G | 24.9 | Very low | 29.5 | Very low | 72 Ų | 72 | 124.2 Ų | 124.2 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | cis | 82.1 | 144.3 | 3.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1920 | L | 25.2 | Very low | 29.7 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | cis | -169.7 | 150.4 | -0.4 | -160.3 | 84.5 | 0 | 0 | 0 | 109.8 | ||||
| 1921 | V | 25.8 | Very low | 30.1 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | trans | 65 | 156.3 | 148.6 | 143.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1922 | T | 26.9 | Very low | 30.3 | Very low | 124 Ų | 124 | 129 Ų | 129 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | -136.4 | -94.3 | -67.2 | 13.8 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 1923 | T | 27 | Very low | 30.5 | Very low | 104 Ų | 104 | 124.9 Ų | 124.9 | 64% | 0.638 | 75% | 0.754 | S | S | * | * | cis | -164.7 | 131.1 | -22.9 | -32.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1924 | T | 33.3 | Very low | 30.3 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | trans | 179.7 | 142.9 | 137.8 | 21.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1925 | T | 30.2 | Very low | 31.1 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -145.1 | 176.2 | 172.3 | 61.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1926 | P | 44.5 | Very low | 31.8 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | -156.1 | -157.8 | 90.8 | 39.6 | -17.2 | 0 | 0 | 0 | 114.7 | |||||
| 1927 | T | 35.5 | Very low | 32.3 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 76.6 | 156.8 | 173.6 | 80.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 1928 | L | 35.9 | Very low | 32.7 | Very low | 141 Ų | 141 | 122.1 Ų | 122.1 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | cis | -139.5 | 145.5 | 0.9 | -169.1 | 63.4 | 0 | 0 | 0 | 111.3 | ||||
| 1929 | N | 35.8 | Very low | 32.5 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | 62.8 | 157.8 | -179.7 | -59.6 | -18.6 | 0 | 0 | 0 | 115 | ||||
| 1930 | Q | 28.3 | Very low | 32.7 | Very low | 172 Ų | 172 | 125.3 Ų | 125.3 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | cis | 86.3 | 150.7 | 9.3 | -55.1 | -169.9 | 21 | 0 | 0 | 117.3 | ||||
| 1931 | P | 32.9 | Very low | 32.5 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 69% | 0.688 | 75% | 0.75 | S | S | * | * | cis | -106.6 | 142.3 | -0.7 | 38.3 | -29.4 | 0 | 0 | 0 | 115.7 | ||||
| 1932 | M | 32.2 | Very low | 32.7 | Very low | 150 Ų | 150 | 124 Ų | 124 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | trans | 73.1 | 156.5 | 167.1 | -45.8 | -65.1 | 87.5 | 0 | 0 | 117.9 | ||||
| 1933 | L | 32.8 | Very low | 33 | Very low | 123 Ų | 123 | 121 Ų | 121 | 64% | 0.644 | 75% | 0.751 | S | S | * | * | cis | -163.8 | 144.7 | -34.2 | -106.9 | -179.6 | 0 | 0 | 0 | 109.9 | ||||
| 1934 | H | 31.3 | Very low | 33.7 | Very low | 149 Ų | 149 | 120.2 Ų | 120.2 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | trans | 59.5 | 144.5 | 163.5 | -70.7 | -57 | 0 | 0 | 0 | 119.5 | ||||
| 1935 | P | 45.8 | Very low | 33.9 | Very low | 131 Ų | 131 | 118.6 Ų | 118.6 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | cis | -127.7 | 174.8 | 31.6 | 41.3 | -26.7 | 0 | 0 | 0 | 116.9 | ||||
| 1936 | G | 38 | Very low | 34.1 | Very low | 66 Ų | 66 | 121.4 Ų | 121.4 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | trans | 119.7 | 134.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1937 | V | 38.2 | Very low | 33.8 | Very low | 144 Ų | 144 | 123.3 Ų | 123.3 | 87% | 0.873 | 75% | 0.754 | S | S | * | * | trans | -136 | 146.7 | -171.2 | -174 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1938 | A | 32.1 | Very low | 33.7 | Very low | 94 Ų | 94 | 123.6 Ų | 123.6 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | trans | -130.6 | 177.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1940 | A1938-A1940 PolarHBondContact O-N 2.95Å; A1938-A1940 VanDerWaalsContact O-N 3.15Å | ||
| 1939 | V | 26.7 | Very low | 33.8 | Very low | 146 Ų | 146 | 125.2 Ų | 125.2 | 89% | 0.885 | 76% | 0.759 | S | S | * | * | trans | -60.9 | 106.7 | -154.5 | -178.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1940 | A | 27.9 | Very low | 34.6 | Very low | 69 Ų | 69 | 124.6 Ų | 124.6 | 57% | 0.57 | 76% | 0.762 | S | S | * | * | trans | 34 | 129.4 | 133.1 | 0 | 0 | 0 | 0 | 0 | 122 | A1938 | A1938-A1940 PolarHBondContact O-N 2.95Å; A1938-A1940 VanDerWaalsContact O-N 3.15Å | ||
| 1941 | A | 22.3 | Very low | 34.7 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | S | Bend | -131.9 | 124.1 | 115.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||
| 1942 | V | 28.7 | Very low | 35 | Very low | 143 Ų | 143 | 120.3 Ų | 120.3 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | S | Bend | cis | -138.7 | 135.4 | 1.9 | 175.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1943 | G | 33 | Very low | 34.9 | Very low | 61 Ų | 61 | 118.7 Ų | 118.7 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | trans | 70.8 | 174.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1944 | A | 42.5 | Very low | 34.8 | Very low | 88 Ų | 88 | 118.4 Ų | 118.4 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -141.6 | 154.8 | -13.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1945 | P | 36.7 | Very low | 34.6 | Very low | 107 Ų | 107 | 119.7 Ų | 119.7 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -85.8 | -158.4 | -176.2 | 38.7 | -38.5 | 0 | 0 | 0 | 111.2 | I1947 | P1945-I1947 PolarHBondContact O-N 3.16Š|
| 1946 | H | 36 | Very low | 33.7 | Very low | 191 Ų | 191 | 117 Ų | 117 | 88% | 0.884 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -24.2 | 102.5 | 153.5 | -98.7 | -89.4 | 0 | 0 | 0 | 113.6 | ||
| 1947 | I | 36.8 | Very low | 33.3 | Very low | 148 Ų | 148 | 118.4 Ų | 118.4 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | 172.6 | 130.7 | 166.2 | -98.2 | 149.6 | 0 | 0 | 0 | 105.8 | P1945 | P1945-I1947 PolarHBondContact O-N 3.16Š| ||
| 1948 | V | 32.8 | Very low | 32.9 | Very low | 134 Ų | 134 | 117.4 Ų | 117.4 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | cis | -150.8 | -177.9 | -11.2 | 102.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1949 | Q | 38.2 | Very low | 32.7 | Very low | 175 Ų | 175 | 117.1 Ų | 117.1 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -61.6 | 173.4 | 172.4 | -98.7 | 175.3 | -9.4 | 0 | 0 | 114.1 | ||||
| 1950 | P | 52.9 | Low | 32.9 | Very low | 117 Ų | 117 | 117.7 Ų | 117.7 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | -78.4 | 166.8 | -151.1 | 35 | -39.1 | 0 | 0 | 0 | 114.8 | ||||
| 1951 | P | 31.8 | Very low | 32.9 | Very low | 123 Ų | 123 | 120.2 Ų | 120.2 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | -145.5 | 176.1 | 105.4 | 41.1 | -27.9 | 0 | 0 | 0 | 114.9 | |||||
| 1952 | G | 37.4 | Very low | 33.4 | Very low | 65 Ų | 65 | 126 Ų | 126 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | trans | -89.3 | -150.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1953 | P | 31.7 | Very low | 33.6 | Very low | 116 Ų | 116 | 123 Ų | 123 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | cis | -139 | 176.9 | -1.6 | 44.3 | -27.3 | 0 | 0 | 0 | 115.6 | ||||
| 1954 | T | 30.7 | Very low | 33.5 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | trans | 21.9 | 156.3 | 144.8 | 61.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1955 | L | 26 | Very low | 32.8 | Very low | 177 Ų | 177 | 128.8 Ų | 128.8 | 93% | 0.927 | 76% | 0.76 | S | S | * | * | trans | 82.1 | 140.3 | 169.6 | -49.5 | 171.2 | 0 | 0 | 0 | 113.6 | ||||
| 1956 | G | 27.3 | Very low | 32.8 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | cis | 164.7 | 171.1 | 1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1957 | A | 29.3 | Very low | 32.5 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | cis | -161.7 | -169.5 | -6.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1958 | C | 29.9 | Very low | 32.1 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | 67.9 | 139 | 178.7 | -63.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1959 | S | 28.2 | Very low | 32 | Very low | 88 Ų | 88 | 126.7 Ų | 126.7 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | cis | -158.3 | 162.1 | -11 | -90.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1960 | Q | 31.1 | Very low | 31.3 | Very low | 159 Ų | 159 | 126.7 Ų | 126.7 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | cis | -152 | 144.5 | 15.5 | -148.3 | 137.7 | -1.6 | 0 | 0 | 112.2 | ||||
| 1961 | D | 26.7 | Very low | 30.3 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 65% | 0.652 | 74% | 0.742 | S | S | * | * | trans | 20.8 | 127.9 | 142.8 | -42.7 | -29.4 | 0 | 0 | 0 | 118.3 | ||||
| 1962 | Y | 33.1 | Very low | 29.9 | Very low | 225 Ų | 225 | 127.1 Ų | 127.1 | 88% | 0.882 | 72% | 0.721 | S | S | * | * | cis | -121.3 | 121.2 | 47 | -86.8 | -110.5 | 0 | 0 | 0 | 116 | ||||
| 1963 | A | 33.6 | Very low | 29.4 | Very low | 78 Ų | 78 | 128.7 Ų | 128.7 | 65% | 0.645 | 72% | 0.717 | S | S | * | * | -86.6 | 176.9 | 123.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 1964 | P | 31.5 | Very low | 29.3 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 62% | 0.623 | 72% | 0.715 | S | S | * | * | cis | -139.4 | -149.6 | 22.6 | 41.4 | -18.8 | 0 | 0 | 0 | 112.7 | ||||
| 1965 | Q | 26.8 | Very low | 29.1 | Very low | 176 Ų | 176 | 132.1 Ų | 132.1 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | trans | 46.5 | 107 | 157.6 | -65.9 | 169.2 | -4.9 | 0 | 0 | 115.6 | ||||
| 1966 | V | 36.7 | Very low | 29.2 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | -153.2 | 121.6 | 65.2 | 163.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1967 | Q | 30.3 | Very low | 29.5 | Very low | 188 Ų | 188 | 130.8 Ų | 130.8 | 88% | 0.879 | 70% | 0.701 | S | S | * | * | -88.4 | 152.9 | 122.7 | -76.2 | -173.1 | -5.4 | 0 | 0 | 106.5 | |||||
| 1968 | P | 27.7 | Very low | 29.7 | Very low | 81 Ų | 81 | 134.5 Ų | 134.5 | 53% | 0.526 | 70% | 0.702 | S | S | . | * | cis | -138 | 179.3 | 22 | 44.5 | -28.9 | 0 | 0 | 0 | 116.2 | Y1970 | P1968-Y1970 HydrophobicContact CG-CD2 3.89Å; P1968-Y1970 HydrophobicContact CG-CE2 4.27Å | ||
| 1969 | Q | 31.9 | Very low | 29.7 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 65% | 0.645 | 70% | 0.696 | S | S | * | * | trans | -51.1 | 130.7 | 148.1 | -176.6 | -173.7 | 12.2 | 0 | 0 | 111.5 | L1972 | Q1969-L1972 HydrophobicContact CG-CB 4.14Å; Q1969-L1972 WeakPolarHBondContact O-CB 3.4Å | ||
| 1970 | Y | 22.7 | Very low | 29.7 | Very low | 176 Ų | 176 | 138 Ų | 138 | 69% | 0.69 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -148.6 | 131.3 | 154.5 | -103.5 | -75.6 | 0 | 0 | 0 | 108.5 | P1968 L1972 V1973 | P1968-Y1970 HydrophobicContact CG-CD2 3.89Å; P1968-Y1970 HydrophobicContact CG-CE2 4.27Å; Y1970-L1972 HydrophobicContact CD1-CB 3.89Å; Y1970-L1972 HydrophobicContact CD1-CD2 4.09Å; Y1970-L1972 WeakPolarHBondContact CD1-O 3.41Å; Y1970-L1972 HydrophobicContact CD2-CD2 4.05Å; Y1970-L1972 HydrophobicContact CE1-CB 4.27Å; Y1970-L1972 HydrophobicContact CE1-CD2 3.73Å; Y1970-L1972 HydrophobicContact CE1-CG 4.49Å; Y1970-L1972 HydrophobicContact CE2-CD2 3.67Å; Y1970-L1972 HydrophobicContact CG-CB 4.07Å; Y1970-L1972 HydrophobicContact CG-CD2 4.24Å; Y1970-V1973 HydrophobicContact CE1-CG2 4.22Å |
| 1971 | Q | 31.9 | Very low | 30.1 | Very low | 181 Ų | 181 | 135 Ų | 135 | 85% | 0.846 | 70% | 0.702 | S | S | * | * | S | Bend | cis | -83.1 | 135.7 | -8 | -68.4 | 155.7 | -76 | 0 | 0 | 109.9 | ||
| 1972 | L | 24 | Very low | 30.3 | Very low | 68 Ų | 68 | 135.9 Ų | 135.9 | 36% | 0.356 | 71% | 0.705 | S | S | . | * | cis | 48.3 | 95.6 | 4.7 | -150.3 | 93.2 | 0 | 0 | 0 | 116.1 | Q1969 Y1970 | Q1969-L1972 HydrophobicContact CG-CB 4.14Å; Q1969-L1972 WeakPolarHBondContact O-CB 3.4Å; Y1970-L1972 HydrophobicContact CD1-CB 3.89Å; Y1970-L1972 HydrophobicContact CD1-CD2 4.09Å; Y1970-L1972 WeakPolarHBondContact CD1-O 3.41Å; Y1970-L1972 HydrophobicContact CD2-CD2 4.05Å; Y1970-L1972 HydrophobicContact CE1-CB 4.27Å; Y1970-L1972 HydrophobicContact CE1-CD2 3.73Å; Y1970-L1972 HydrophobicContact CE1-CG 4.49Å; Y1970-L1972 HydrophobicContact CE2-CD2 3.67Å; Y1970-L1972 HydrophobicContact CG-CB 4.07Å; Y1970-L1972 HydrophobicContact CG-CD2 4.24Å | ||
| 1973 | V | 26.7 | Very low | 30 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | 179.4 | 113.3 | 126 | 144.3 | 0 | 0 | 0 | 0 | 103.7 | Y1970 | Y1970-V1973 HydrophobicContact CE1-CG2 4.22Š| |||
| 1974 | Q | 28.5 | Very low | 30.3 | Very low | 151 Ų | 151 | 126 Ų | 126 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | 68.1 | 121.5 | 102.5 | -136.5 | 169.2 | 36.5 | 0 | 0 | 110 | |||||
| 1975 | Q | 26.9 | Very low | 30.3 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 72% | 0.72 | 66% | 0.657 | S | S | * | * | cis | -174.9 | -173.2 | 12.6 | -138 | 170.6 | 12.1 | 0 | 0 | 110.1 | ||||
| 1976 | V | 29.1 | Very low | 30.6 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 70% | 0.703 | 66% | 0.658 | S | S | * | * | trans | 75.5 | 140.6 | 146.9 | 156.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1977 | P | 33.1 | Very low | 30.1 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 70% | 0.701 | 66% | 0.657 | S | S | * | * | trans | -103.4 | 168.9 | -175.9 | 41 | -37.4 | 0 | 0 | 0 | 113.9 | ||||
| 1978 | Q | 32.2 | Very low | 30.1 | Very low | 173 Ų | 173 | 119.9 Ų | 119.9 | 81% | 0.808 | 65% | 0.648 | S | S | * | * | trans | -169.3 | 121.4 | 147.1 | -101.3 | 148.2 | 60.8 | 0 | 0 | 107.4 | ||||
| 1979 | S | 30.6 | Very low | 30 | Very low | 98 Ų | 98 | 121.1 Ų | 121.1 | 69% | 0.685 | 66% | 0.658 | S | S | * | * | 71.8 | 138 | 76.4 | 79.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1980 | Q | 28.3 | Very low | 29.8 | Very low | 186 Ų | 186 | 120.5 Ų | 120.5 | 87% | 0.869 | 66% | 0.664 | S | S | * | * | cis | -159.3 | 174.2 | -4.2 | -118.5 | -172 | -19.3 | 0 | 0 | 109.2 | ||||
| 1981 | P | 39.2 | Very low | 29.9 | Very low | 94 Ų | 94 | 117.8 Ų | 117.8 | 61% | 0.61 | 67% | 0.67 | S | S | * | * | trans | -95.4 | -174.5 | -165.8 | 40.5 | -39.9 | 0 | 0 | 0 | 115 | ||||
| 1982 | I | 30.6 | Very low | 29.7 | Very low | 142 Ų | 142 | 115.1 Ų | 115.1 | 73% | 0.728 | 67% | 0.667 | S | S | * | * | trans | -168 | 114.5 | 149.5 | -104.6 | 155 | 0 | 0 | 0 | 115.4 | L596 | L596-I1982 HydrophobicContact CD2-CD1 4.44Å; L596-I1982 HydrophobicContact CD2-CG1 3.95Å; L596-I1982 HydrophobicContact CD2-CG2 4.25Å | ||
| 1983 | A | 28.6 | Very low | 30 | Very low | 42 Ų | 42 | 118.1 Ų | 118.1 | 35% | 0.347 | 69% | 0.687 | S | S | . | * | 72.4 | 162.4 | 129 | 0 | 0 | 0 | 0 | 0 | 126.2 | L596 E598 | L596-A1983 HydrophobicContact CD2-CB 3.5Å; L596-A1983 VanDerWaalsContact CD2-CB 3.5Å; E598-A1983 VanDerWaalsContact CD-N 3.31Å; E598-A1983 PolarHBondContact OE1-N 2.7Å | |||
| 1984 | P | 38.5 | Very low | 30.4 | Very low | 54 Ų | 54 | 119.5 Ų | 119.5 | 35% | 0.351 | 70% | 0.698 | S | S | . | * | trans | -151.4 | -154.1 | -150.4 | 56.7 | -43.5 | 0 | 0 | 0 | 120.9 | S597 | S597-P1984 WeakPolarHBondContact O-CD 3.33Å; S597-P1984 WeakPolarHBondContact O-CG 3.49Å | ||
| 1985 | N | 32.3 | Very low | 30.3 | Very low | 82 Ų | 82 | 116.1 Ų | 116.1 | 44% | 0.439 | 70% | 0.704 | S | S | . | * | trans | 33.6 | 145.5 | 134.2 | -74.5 | 6.7 | 0 | 0 | 0 | 124.5 | G599 I600 | G599-N1985 VanDerWaalsContact C-CG 3.43Å; G599-N1985 PolarHBondContact N-ND2 3.48Å; G599-N1985 PolarHBondContact O-ND2 2.82Å; I600-N1985 WeakPolarHBondContact CA-OD1 3.35Å; I600-N1985 PolarHBondContact N-OD1 3.39Å | ||
| 1986 | V | 32.1 | Very low | 30.4 | Very low | 140 Ų | 140 | 115 Ų | 115 | 85% | 0.848 | 71% | 0.707 | S | S | * | * | -174.7 | 163.8 | 116.8 | 142 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1987 | M | 26.8 | Very low | 30.2 | Very low | 154 Ų | 154 | 116.7 Ų | 116.7 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | trans | -113.1 | 170.2 | -178.8 | -58.4 | -176.9 | 178.4 | 0 | 0 | 114.9 | ||||
| 1988 | A | 30.1 | Very low | 29.9 | Very low | 83 Ų | 83 | 119.7 Ų | 119.7 | 69% | 0.686 | 71% | 0.71 | S | S | * | * | 105.6 | 128.7 | 125.4 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 1989 | S | 26.2 | Very low | 29.6 | Very low | 106 Ų | 106 | 117.5 Ų | 117.5 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | trans | 94.9 | 176.2 | 130.6 | 78.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1990 | V | 27 | Very low | 29.4 | Very low | 126 Ų | 126 | 120.8 Ų | 120.8 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | trans | -148.1 | 141 | -144.2 | 169.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1991 | S | 24.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 116.8 Ų | 116.8 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | trans | -172.8 | 175.9 | 160.1 | -84.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 1992 | V | 27.8 | Very low | 29 | Very low | 126 Ų | 126 | 119 Ų | 119 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | -164 | 150.4 | -66.1 | 99.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1993 | V | 30.6 | Very low | 29.1 | Very low | 131 Ų | 131 | 117.4 Ų | 117.4 | 79% | 0.794 | 70% | 0.701 | S | S | * | * | trans | 69.7 | 152.9 | 160.9 | 161.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1994 | P | 36 | Very low | 28.9 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -127.7 | 174.8 | -161.9 | 42.4 | -25.7 | 0 | 0 | 0 | 117.5 | ||||
| 1995 | G | 26.3 | Very low | 28.5 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | trans | -176.7 | 150.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1996 | T | 29.2 | Very low | 28.1 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -100.1 | 133.8 | -165.8 | 41.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1997 | Q | 25.1 | Very low | 28.1 | Very low | 153 Ų | 153 | 127 Ų | 127 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | trans | 81.2 | 135.4 | 131.9 | -75.9 | -174.6 | -3.3 | 0 | 0 | 125.7 | ||||
| 1998 | F | 25.4 | Very low | 28.3 | Very low | 171 Ų | 171 | 126 Ų | 126 | 75% | 0.75 | 75% | 0.746 | S | S | * | * | trans | 73.7 | 147.5 | 145.2 | -76.3 | -49.8 | 0 | 0 | 0 | 119 | ||||
| 1999 | I | 26.4 | Very low | 28.1 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 65% | 0.646 | 75% | 0.754 | S | S | * | * | cis | -166.8 | 154.7 | 24.8 | -131.1 | 160.1 | 0 | 0 | 0 | 113.2 | ||||
| 2000 | Q | 25.6 | Very low | 28.2 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | trans | 58.3 | 158.3 | 157.8 | -65.1 | 170.7 | 4.9 | 0 | 0 | 120.4 | ||||
| 2001 | S | 32.7 | Very low | 28.1 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | cis | -138.1 | 136.8 | 14.9 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2002 | Q | 26.7 | Very low | 28.3 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | 58.8 | 159.4 | 91.3 | -80.4 | -161.9 | 43.4 | 0 | 0 | 116.5 | |||||
| 2003 | P | 33.3 | Very low | 28.6 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | cis | -123.6 | 153.7 | 8.5 | 12.2 | 15.1 | 0 | 0 | 0 | 115.2 | ||||
| 2004 | Q | 25.2 | Very low | 28.5 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 67% | 0.673 | 76% | 0.756 | S | S | * | * | 89 | 157.8 | 78.8 | -61.9 | -175.8 | 27.7 | 0 | 0 | 118.3 | |||||
| 2005 | T | 29.5 | Very low | 28.2 | Very low | 117 Ų | 117 | 134 Ų | 134 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | trans | 76.7 | 124.5 | 168.1 | 60.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 2006 | I | 24 | Very low | 28.5 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | cis | 89 | 137.3 | 25.6 | -58.8 | 164.4 | 0 | 0 | 0 | 112.3 | ||||
| 2007 | P | 32.3 | Very low | 28.5 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | cis | -132.5 | -154.3 | 1.5 | 35.1 | -12.2 | 0 | 0 | 0 | 115.4 | ||||
| 2008 | T | 30.7 | Very low | 28.8 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 82% | 0.816 | 71% | 0.706 | S | S | * | * | trans | 95.7 | 121.9 | 145 | 25.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 2009 | Q | 26.3 | Very low | 29 | Very low | 183 Ų | 183 | 124.4 Ų | 124.4 | 86% | 0.855 | 70% | 0.699 | S | S | * | * | trans | -68.1 | 174.5 | 152.7 | -65 | -177.9 | -15.3 | 0 | 0 | 110.5 | ||||
| 2010 | P | 27.8 | Very low | 28.8 | Very low | 102 Ų | 102 | 127 Ų | 127 | 66% | 0.662 | 71% | 0.706 | S | S | * | * | cis | -147.6 | 177.1 | 19 | 44.7 | -25 | 0 | 0 | 0 | 119.5 | ||||
| 2011 | Q | 24.4 | Very low | 28.9 | Very low | 170 Ų | 170 | 124.8 Ų | 124.8 | 79% | 0.794 | 70% | 0.703 | S | S | * | * | trans | 67.2 | 159.9 | 142.4 | -83.7 | -179.7 | 23.2 | 0 | 0 | 123.3 | ||||
| 2012 | T | 29.4 | Very low | 28.7 | Very low | 143 Ų | 143 | 125 Ų | 125 | 88% | 0.877 | 71% | 0.705 | S | S | * | * | trans | 73.2 | 152.3 | 170.4 | 73.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2013 | G | 34.7 | Very low | 28.5 | Very low | 79 Ų | 79 | 124.4 Ų | 124.4 | 81% | 0.814 | 71% | 0.71 | S | S | * | * | trans | 128.3 | 14.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2014 | R | 26.8 | Very low | 29 | Very low | 208 Ų | 208 | 124.5 Ų | 124.5 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | -67.4 | 164.4 | 165.9 | -103.2 | -166.8 | 179.3 | -179.9 | 1.9 | 111 | ||||
| 2015 | P | 31.4 | Very low | 29.5 | Very low | 97 Ų | 97 | 123.3 Ų | 123.3 | 63% | 0.63 | 72% | 0.716 | S | S | * | * | cis | -127.9 | 173 | 14.9 | 47 | -33.4 | 0 | 0 | 0 | 113.5 | ||||
| 2016 | S | 32.1 | Very low | 29.4 | Very low | 44 Ų | 44 | 129.1 Ų | 129.1 | 31% | 0.308 | 72% | 0.724 | S | S | . | * | cis | -155.7 | -172.6 | 7.7 | -17.1 | 0 | 0 | 0 | 0 | 109 | S434 Y436 | S434-S2016 PolarHBondContact OG-O 2.87Å; Y436-S2016 WeakPolarHBondContact CE2-OG 3.37Å; Y436-S2016 WeakPolarHBondContact OH-CB 3.43Å; Y436-S2016 PolarHBondContact OH-OG 3.32Å | ||
| 2017 | S | 28.1 | Very low | 29.5 | Very low | 77 Ų | 77 | 128 Ų | 128 | 54% | 0.538 | 73% | 0.725 | S | S | . | * | cis | -154.8 | 153.2 | -6.3 | 46.5 | 0 | 0 | 0 | 0 | 110 | Y436 | Y436-S2017 PolarHBondContact OH-OG 3.43Š| ||
| 2018 | P | 32 | Very low | 29.5 | Very low | 97 Ų | 97 | 128.1 Ų | 128.1 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | trans | -117.4 | -143.5 | -174.4 | 30.1 | -5.1 | 0 | 0 | 0 | 111.5 | ||||
| 2019 | I | 28.7 | Very low | 29.6 | Very low | 115 Ų | 115 | 133 Ų | 133 | 59% | 0.59 | 73% | 0.732 | S | S | * | * | cis | -168.5 | 144.8 | 19.2 | -148.8 | -179.5 | 0 | 0 | 0 | 114.3 | ||||
| 2020 | F | 23.5 | Very low | 30.1 | Very low | 180 Ų | 180 | 128.3 Ų | 128.3 | 79% | 0.789 | 72% | 0.716 | S | S | * | * | trans | 50.4 | -172.5 | 155.1 | -65.2 | -35.6 | 0 | 0 | 0 | 121.6 | ||||
| 2021 | V | 28.1 | Very low | 30.4 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | -166.3 | 150 | -80 | 138.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 2022 | S | 28.4 | Very low | 30.8 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | trans | 60.1 | 177.1 | 175.7 | 57.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 2023 | V | 22.7 | Very low | 31 | Very low | 125 Ų | 125 | 116.3 Ų | 116.3 | 76% | 0.758 | 65% | 0.653 | S | S | * | * | cis | -148 | 150.4 | 13.3 | -164.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2024 | P | 43.7 | Very low | 30.9 | Very low | 112 Ų | 112 | 115.4 Ų | 115.4 | 73% | 0.727 | 63% | 0.627 | S | S | * | * | trans | -84.9 | 165.8 | 168.9 | 35.3 | -37.3 | 0 | 0 | 0 | 113.7 | ||||
| 2025 | P | 34.5 | Very low | 31.5 | Very low | 119 Ų | 119 | 105.9 Ų | 105.9 | 77% | 0.773 | 59% | 0.592 | S | S | * | * | cis | -136.2 | 169.8 | 1.7 | 41.4 | -23.9 | 0 | 0 | 0 | 118.3 | ||||
| 2026 | R | 28.1 | Very low | 31.7 | Very low | 238 Ų | 238 | 103.2 Ų | 103.2 | 90% | 0.898 | 57% | 0.57 | S | S | * | * | trans | 75.5 | 151.5 | 155.5 | -88.4 | -175.5 | 172.6 | 177.5 | -1.4 | 122.7 | ||||
| 2027 | T | 26.7 | Very low | 32.2 | Very low | 130 Ų | 130 | 105.8 Ų | 105.8 | 80% | 0.798 | 58% | 0.577 | S | S | * | * | trans | 77.5 | 110.1 | 165.4 | 47.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 2028 | S | 31.3 | Very low | 32.8 | Very low | 109 Ų | 109 | 110.1 Ų | 110.1 | 76% | 0.762 | 58% | 0.581 | S | S | * | * | trans | 64 | 113.7 | 136.5 | 58.7 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 2029 | R | 33.9 | Very low | 33 | Very low | 235 Ų | 235 | 111.5 Ų | 111.5 | 89% | 0.887 | 58% | 0.575 | S | S | * | * | trans | 65.2 | 115.1 | 130.4 | -92.6 | -168.3 | 172.9 | 178.1 | -2.1 | 122.6 | ||||
| 2030 | V | 35.4 | Very low | 33.4 | Very low | 86 Ų | 86 | 110.2 Ų | 110.2 | 52% | 0.521 | 57% | 0.568 | S | S | . | * | 90.4 | 105.5 | 117.4 | 134.6 | 0 | 0 | 0 | 0 | 122.1 | P1276 | P1276-V2030 HydrophobicContact CB-CB 3.77Å; P1276-V2030 HydrophobicContact CB-CG1 3.6Å; P1276-V2030 HydrophobicContact CB-CG2 3.32Å; P1276-V2030 HydrophobicContact CG-CB 4.16Å; P1276-V2030 HydrophobicContact CG-CG1 3.56Å; P1276-V2030 HydrophobicContact CG-CG2 3.73Å | |||
| 2031 | L | 35.6 | Very low | 34.5 | Very low | 58 Ų | 58 | 103.9 Ų | 103.9 | 30% | 0.304 | 55% | 0.546 | S | S | . | . | trans | 160.7 | 107.2 | 130 | -89.8 | 158.1 | 0 | 0 | 0 | 123 | E1273 A1274 P1276 | E1273-L2031 HydrophobicContact CG-CD1 4.29Å; E1273-L2031 WeakPolarHBondContact OE1-CD1 3.49Å; A1274-L2031 HydrophobicContact CB-CD2 3.89Å; A1274-L2031 WeakPolarHBondContact O-CD2 3.35Å; P1276-L2031 HydrophobicContact CB-CD2 4.03Å; P1276-L2031 HydrophobicContact CB-CG 4.07Å; P1276-L2031 HydrophobicContact CG-CD2 4.43Å | ||
| 2032 | H | 31.3 | Very low | 35.3 | Very low | 11 Ų | 11 | 99.8 Ų | 99.8 | 5% | 0.051 | 52% | 0.518 | C | S | . | . | 31.5 | 107.6 | 126.7 | -150.4 | 54.3 | 0 | 0 | 0 | 119.6 | R1231 A1274 R1275 I2035 Y2036 R2042 L2043 | R1231-H2032 PolarHBondContact O-NE2 2.91Å; A1274-H2032 HydrophobicContact CB-CB 3.77Å; A1274-H2032 VanDerWaalsContact CB-CD2 3.43Å; A1274-H2032 WeakPolarHBondContact CB-CD2 3.46Å; R1275-H2032 PolarHBondContact N-CD2 3.37Å; R1275-H2032 VanDerWaalsContact N-CD2 3.34Å; R1275-H2032 WeakPolarHBondContact O-CB 3.48Å; R1275-H2032 PolarHBondContact O-CD2 2.81Å; R1275-H2032 PolarHBondContact O-ND1 2.85Å; R1275-H2032 PolarHBondContact O-NE2 3.43Å; H2032-I2035 PolarHBondContact CE1-O 3.2Å; H2032-I2035 PolarHBondContact NE2-O 3.43Å; H2032-I2035 VanDerWaalsContact NE2-O 3.12Å; H2032-Y2036 AromaticContact CE1-CD2 3.32Å; H2032-Y2036 WeakPolarHBondContact CE1-CD2 3.33Å; H2032-Y2036 AromaticContact CE1-CE2 3.77Å; H2032-Y2036 AromaticContact CE1-CG 3.83Å; H2032-R2042 VanDerWaalsContact C-NE 3.31Å; H2032-R2042 HydrophobicContact CB-CG 3.73Å; H2032-R2042 WeakPolarHBondContact CD2-CD 3.37Å; H2032-R2042 VanDerWaalsContact CG-CD 3.41Å; H2032-R2042 VanDerWaalsContact ND1-CB 3.28Å; H2032-R2042 WeakPolarHBondContact ND1-CB 3.23Å; H2032-R2042 WeakPolarHBondContact ND1-CG 3.28Å; H2032-R2042 PolarHBondContact ND1-O 3.04Å; H2032-R2042 PolarHBondContact O-NE 3.08Å; H2032-R2042 PolarHBondContact O-NH2 2.62Å; H2032-L2043 WeakPolarHBondContact ND1-CD1 3.43Å | |||
| 2033 | S | 33.6 | Very low | 35.5 | Very low | 94 Ų | 94 | 98.2 Ų | 98.2 | 66% | 0.657 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -143.5 | 114.5 | 159.9 | 49.8 | 0 | 0 | 0 | 0 | 115.6 | S2041 R2042 | S2033-S2041 CarbonylContact O-C 3.54Å; S2033-R2042 WeakPolarHBondContact O-CA 3.49Å; S2033-R2042 PolarHBondContact O-N 2.81Å |
| 2034 | E | 33 | Very low | 36 | Very low | 60 Ų | 60 | 98.5 Ų | 98.5 | 28% | 0.28 | 49% | 0.488 | S | S | . | . | S | Bend | cis | -126.9 | 152 | 4.1 | -132 | -68.7 | 82.5 | 0 | 0 | 116.3 | Y2036 Q2037 R2038 R2042 | E2034-Y2036 CarbonylContact O-C 3.48Å; E2034-Y2036 VanDerWaalsContact O-C 3.3Å; E2034-Y2036 PolarHBondContact O-N 2.86Å; E2034-Q2037 CarbonylContact O-C 3.37Å; E2034-Q2037 WeakPolarHBondContact O-CA 3.41Å; E2034-Q2037 PolarHBondContact O-N 3.38Å; E2034-R2038 IonicContact OE2-CZ 3.81Å; E2034-R2038 IonicContact OE2-NE 3.19Å; E2034-R2038 PolarHBondContact OE2-NE 2.83Å; E2034-R2038 IonicContact OE2-NH2 2.77Å; E2034-R2038 PolarHBondContact OE2-NH2 3.37Å; E2034-R2042 VanDerWaalsContact C-CD 3.48Å; E2034-R2042 VanDerWaalsContact C-CG 3.43Å; E2034-R2042 VanDerWaalsContact CA-CD 3.47Å; E2034-R2042 VanDerWaalsContact N-CA 3.35Å; E2034-R2042 VanDerWaalsContact N-CG 3.32Å; E2034-R2042 WeakPolarHBondContact O-CB 3.38Å; E2034-R2042 PolarHBondContact O-N 2.78Å; E2034-R2042 IonicContact OE1-CZ 2.74Å; E2034-R2042 IonicContact OE1-NH1 2.68Å; E2034-R2042 PolarHBondContact OE1-NH1 2.86Å |
| 2035 | I | 38.9 | Very low | 35.7 | Very low | 8 Ų | 8 | 101.4 Ų | 101.4 | 4% | 0.041 | 49% | 0.489 | C | S | . | . | S | Bend | -29.5 | -26.4 | -120.3 | -121.2 | -166.5 | 0 | 0 | 0 | 125.4 | R1231 Y1232 H2032 R2038 R2042 | R1231-I2035 HydrophobicContact CB-CD1 3.59Å; R1231-I2035 HydrophobicContact CB-CG1 3.93Å; R1231-I2035 HydrophobicContact CG-CD1 4.3Å; R1231-I2035 HydrophobicContact CG-CG1 4.37Å; Y1232-I2035 HydrophobicContact CD1-CD1 4.28Å; Y1232-I2035 HydrophobicContact CD1-CG1 4.43Å; Y1232-I2035 HydrophobicContact CD2-CD1 3.59Å; Y1232-I2035 HydrophobicContact CE1-CD1 3.9Å; Y1232-I2035 HydrophobicContact CE1-CG1 3.97Å; Y1232-I2035 HydrophobicContact CE2-CD1 3.17Å; Y1232-I2035 HydrophobicContact CE2-CG1 4.15Å; Y1232-I2035 HydrophobicContact CG-CD1 4.15Å; H2032-I2035 PolarHBondContact CE1-O 3.2Å; H2032-I2035 PolarHBondContact NE2-O 3.43Å; H2032-I2035 VanDerWaalsContact NE2-O 3.12Å; I2035-R2038 HydrophobicContact CB-CB 4.24Å; I2035-R2038 HydrophobicContact CB-CG 3.85Å; I2035-R2038 HydrophobicContact CG2-CB 3.51Å; I2035-R2038 HydrophobicContact CG2-CG 3.66Å; I2035-R2038 VanDerWaalsContact CG2-O 3.28Å; I2035-R2038 WeakPolarHBondContact CG2-O 3.36Å; I2035-R2042 VanDerWaalsContact C-CB 3.42Å; I2035-R2042 VanDerWaalsContact N-CD 3.35Å | |
| 2036 | Y | 36.7 | Very low | 35.8 | Very low | 41 Ų | 41 | 103.2 Ų | 103.2 | 16% | 0.161 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -156 | -22.1 | 141.9 | -133.3 | -80.3 | 0 | 0 | 0 | 104.5 | P1278 H2032 E2034 R2038 Y2039 I2040 S2041 R2042 L2043 | P1278-Y2036 HydrophobicContact CB-CE2 4.08Å; P1278-Y2036 HydrophobicContact CG-CE2 3.77Å; H2032-Y2036 AromaticContact CE1-CD2 3.32Å; H2032-Y2036 WeakPolarHBondContact CE1-CD2 3.33Å; H2032-Y2036 AromaticContact CE1-CE2 3.77Å; H2032-Y2036 AromaticContact CE1-CG 3.83Å; E2034-Y2036 CarbonylContact O-C 3.48Å; E2034-Y2036 VanDerWaalsContact O-C 3.3Å; E2034-Y2036 PolarHBondContact O-N 2.86Å; Y2036-R2038 PolarHBondContact N-O 2.92Å; Y2036-Y2039 VanDerWaalsContact CB-CG 3.46Å; Y2036-Y2039 HydrophobicContact CD1-CD1 4.47Å; Y2036-Y2039 HydrophobicContact CD1-CE1 4.25Å; Y2036-Y2039 HydrophobicContact CD1-CE2 4.42Å; Y2036-Y2039 AromaticContact CD2-CD2 3.86Å; Y2036-Y2039 HydrophobicContact CD2-CD2 3.86Å; Y2036-Y2039 HydrophobicContact CD2-CE1 4.35Å; Y2036-Y2039 AromaticContact CD2-CE2 3.25Å; Y2036-Y2039 HydrophobicContact CD2-CE2 3.25Å; Y2036-Y2039 AromaticContact CD2-CZ 3.53Å; Y2036-Y2039 AromaticContact CE2-CE2 3.98Å; Y2036-Y2039 HydrophobicContact CE2-CE2 3.98Å; Y2036-Y2039 AromaticContact CE2-CZ 3.85Å; Y2036-Y2039 HydrophobicContact CG-CD1 4.32Å; Y2036-Y2039 AromaticContact CG-CD2 3.75Å; Y2036-Y2039 HydrophobicContact CG-CD2 3.75Å; Y2036-Y2039 HydrophobicContact CG-CE1 4.18Å; Y2036-Y2039 AromaticContact CG-CE2 3.58Å; Y2036-Y2039 HydrophobicContact CG-CE2 3.58Å; Y2036-Y2039 HydrophobicContact CG-CG 4.1Å; Y2036-Y2039 AromaticContact CG-CZ 3.8Å; Y2036-Y2039 CarbonylContact O-C 3.28Å; Y2036-I2040 VanDerWaalsContact C-CA 3.48Å; Y2036-I2040 CarbonylContact O-C 3.51Å; Y2036-I2040 WeakPolarHBondContact O-CA 3.37Å; Y2036-I2040 PolarHBondContact O-N 3.43Å; Y2036-S2041 CarbonylContact O-C 3.59Å; Y2036-S2041 WeakPolarHBondContact O-CA 3.42Å; Y2036-S2041 PolarHBondContact O-N 2.74Å; Y2036-R2042 CarbonylContact C-O 3.3Å; Y2036-R2042 VanDerWaalsContact CA-O 3.24Å; Y2036-R2042 WeakPolarHBondContact CA-O 3.3Å; Y2036-R2042 WeakPolarHBondContact CD1-O 3.34Å; Y2036-R2042 CarbonylContact O-C 3.48Å; Y2036-R2042 VanDerWaalsContact O-C 3.25Å; Y2036-R2042 WeakPolarHBondContact O-CA 3.34Å; Y2036-R2042 PolarHBondContact O-N 2.81Å; Y2036-L2043 HydrophobicContact CD1-CB 4.03Å; Y2036-L2043 HydrophobicContact CD1-CD1 4.43Å; Y2036-L2043 HydrophobicContact CD2-CD1 4.48Å; Y2036-L2043 HydrophobicContact CE1-CB 3.63Å; Y2036-L2043 HydrophobicContact CE1-CD1 3.83Å; Y2036-L2043 HydrophobicContact CE1-CG 4.36Å; Y2036-L2043 HydrophobicContact CE2-CD1 3.83Å; Y2036-L2043 VanDerWaalsContact CZ-CD1 3.47Å |
| 2037 | Q | 42.6 | Very low | 36.1 | Very low | 97 Ų | 97 | 96.2 Ų | 96.2 | 45% | 0.453 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144 | -55 | 146.7 | -176.2 | 144.4 | 60.9 | 0 | 0 | 112.5 | E2034 I2040 S2041 | E2034-Q2037 CarbonylContact O-C 3.37Å; E2034-Q2037 WeakPolarHBondContact O-CA 3.41Å; E2034-Q2037 PolarHBondContact O-N 3.38Å; Q2037-I2040 VanDerWaalsContact CA-N 3.31Å; Q2037-I2040 PolarHBondContact NE2-O 2.83Å; Q2037-S2041 WeakPolarHBondContact CG-OG 3.5Å; Q2037-S2041 PolarHBondContact NE2-OG 2.73Å |
| 2038 | R | 40.5 | Very low | 36.4 | Very low | 168 Ų | 168 | 96.2 Ų | 96.2 | 63% | 0.634 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | -98.3 | 4.4 | 74.3 | -66.9 | -177.3 | -178.2 | 160.3 | 3.6 | 119.3 | E2034 I2035 Y2036 | E2034-R2038 IonicContact OE2-CZ 3.81Å; E2034-R2038 IonicContact OE2-NE 3.19Å; E2034-R2038 PolarHBondContact OE2-NE 2.83Å; E2034-R2038 IonicContact OE2-NH2 2.77Å; E2034-R2038 PolarHBondContact OE2-NH2 3.37Å; I2035-R2038 HydrophobicContact CB-CB 4.24Å; I2035-R2038 HydrophobicContact CB-CG 3.85Å; I2035-R2038 HydrophobicContact CG2-CB 3.51Å; I2035-R2038 HydrophobicContact CG2-CG 3.66Å; I2035-R2038 VanDerWaalsContact CG2-O 3.28Å; I2035-R2038 WeakPolarHBondContact CG2-O 3.36Å; Y2036-R2038 PolarHBondContact N-O 2.92Å | |
| 2039 | Y | 35.8 | Very low | 36.2 | Very low | 127 Ų | 127 | 94.5 Ų | 94.5 | 50% | 0.498 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.8 | 10.9 | 138.3 | -145.4 | -96.1 | 0 | 0 | 0 | 122.1 | Y2036 | Y2036-Y2039 VanDerWaalsContact CB-CG 3.46Å; Y2036-Y2039 HydrophobicContact CD1-CD1 4.47Å; Y2036-Y2039 HydrophobicContact CD1-CE1 4.25Å; Y2036-Y2039 HydrophobicContact CD1-CE2 4.42Å; Y2036-Y2039 AromaticContact CD2-CD2 3.86Å; Y2036-Y2039 HydrophobicContact CD2-CD2 3.86Å; Y2036-Y2039 HydrophobicContact CD2-CE1 4.35Å; Y2036-Y2039 AromaticContact CD2-CE2 3.25Å; Y2036-Y2039 HydrophobicContact CD2-CE2 3.25Å; Y2036-Y2039 AromaticContact CD2-CZ 3.53Å; Y2036-Y2039 AromaticContact CE2-CE2 3.98Å; Y2036-Y2039 HydrophobicContact CE2-CE2 3.98Å; Y2036-Y2039 AromaticContact CE2-CZ 3.85Å; Y2036-Y2039 HydrophobicContact CG-CD1 4.32Å; Y2036-Y2039 AromaticContact CG-CD2 3.75Å; Y2036-Y2039 HydrophobicContact CG-CD2 3.75Å; Y2036-Y2039 HydrophobicContact CG-CE1 4.18Å; Y2036-Y2039 AromaticContact CG-CE2 3.58Å; Y2036-Y2039 HydrophobicContact CG-CE2 3.58Å; Y2036-Y2039 HydrophobicContact CG-CG 4.1Å; Y2036-Y2039 AromaticContact CG-CZ 3.8Å; Y2036-Y2039 CarbonylContact O-C 3.28Å |
| 2040 | I | 37.1 | Very low | 36 | Very low | 88 Ų | 88 | 86.6 Ų | 86.6 | 45% | 0.451 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -150.8 | 50.9 | 160.9 | -117.6 | 153.9 | 0 | 0 | 0 | 121.2 | Y2036 Q2037 R2044 | Y2036-I2040 VanDerWaalsContact C-CA 3.48Å; Y2036-I2040 CarbonylContact O-C 3.51Å; Y2036-I2040 WeakPolarHBondContact O-CA 3.37Å; Y2036-I2040 PolarHBondContact O-N 3.43Å; Q2037-I2040 VanDerWaalsContact CA-N 3.31Å; Q2037-I2040 PolarHBondContact NE2-O 2.83Å; I2040-R2044 HydrophobicContact CG2-CG 4.31Å; I2040-R2044 VanDerWaalsContact CG2-CZ 3.48Å; I2040-R2044 VanDerWaalsContact O-CB 3.29Å; I2040-R2044 WeakPolarHBondContact O-CB 3.44Å; I2040-R2044 WeakPolarHBondContact O-CD 3.3Å; I2040-R2044 WeakPolarHBondContact O-CG 3.18Å; I2040-R2044 PolarHBondContact O-NH1 3.41Å |
| 2041 | S | 46.8 | Very low | 35.8 | Very low | 46 Ų | 46 | 88.1 Ų | 88.1 | 32% | 0.322 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -122.4 | -53.1 | 155.7 | -65.9 | 0 | 0 | 0 | 0 | 114.4 | S2033 Y2036 Q2037 L2043 R2044 | S2033-S2041 CarbonylContact O-C 3.54Å; Y2036-S2041 CarbonylContact O-C 3.59Å; Y2036-S2041 WeakPolarHBondContact O-CA 3.42Å; Y2036-S2041 PolarHBondContact O-N 2.74Å; Q2037-S2041 WeakPolarHBondContact CG-OG 3.5Å; Q2037-S2041 PolarHBondContact NE2-OG 2.73Å; S2041-L2043 PolarHBondContact O-N 2.84Å; S2041-R2044 VanDerWaalsContact C-N 3.31Å; S2041-R2044 PolarHBondContact O-N 3.16Å |
| 2042 | R | 45.7 | Very low | 35.5 | Very low | 35 Ų | 35 | 88.2 Ų | 88.2 | 13% | 0.132 | 50% | 0.498 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 86 | 162.8 | -121.2 | 159.5 | -166.8 | 147.3 | 6.7 | 107.8 | H2032 S2033 E2034 I2035 Y2036 | H2032-R2042 VanDerWaalsContact C-NE 3.31Å; H2032-R2042 HydrophobicContact CB-CG 3.73Å; H2032-R2042 WeakPolarHBondContact CD2-CD 3.37Å; H2032-R2042 VanDerWaalsContact CG-CD 3.41Å; H2032-R2042 VanDerWaalsContact ND1-CB 3.28Å; H2032-R2042 WeakPolarHBondContact ND1-CB 3.23Å; H2032-R2042 WeakPolarHBondContact ND1-CG 3.28Å; H2032-R2042 PolarHBondContact ND1-O 3.04Å; H2032-R2042 PolarHBondContact O-NE 3.08Å; H2032-R2042 PolarHBondContact O-NH2 2.62Å; S2033-R2042 WeakPolarHBondContact O-CA 3.49Å; S2033-R2042 PolarHBondContact O-N 2.81Å; E2034-R2042 VanDerWaalsContact C-CD 3.48Å; E2034-R2042 VanDerWaalsContact C-CG 3.43Å; E2034-R2042 VanDerWaalsContact CA-CD 3.47Å; E2034-R2042 VanDerWaalsContact N-CA 3.35Å; E2034-R2042 VanDerWaalsContact N-CG 3.32Å; E2034-R2042 WeakPolarHBondContact O-CB 3.38Å; E2034-R2042 PolarHBondContact O-N 2.78Å; E2034-R2042 IonicContact OE1-CZ 2.74Å; E2034-R2042 IonicContact OE1-NH1 2.68Å; E2034-R2042 PolarHBondContact OE1-NH1 2.86Å; I2035-R2042 VanDerWaalsContact C-CB 3.42Å; I2035-R2042 VanDerWaalsContact N-CD 3.35Å; Y2036-R2042 CarbonylContact C-O 3.3Å; Y2036-R2042 VanDerWaalsContact CA-O 3.24Å; Y2036-R2042 WeakPolarHBondContact CA-O 3.3Å; Y2036-R2042 WeakPolarHBondContact CD1-O 3.34Å; Y2036-R2042 CarbonylContact O-C 3.48Å; Y2036-R2042 VanDerWaalsContact O-C 3.25Å; Y2036-R2042 WeakPolarHBondContact O-CA 3.34Å; Y2036-R2042 PolarHBondContact O-N 2.81Å |
| 2043 | L | 32.1 | Very low | 35.5 | Very low | 75 Ų | 75 | 93.1 Ų | 93.1 | 39% | 0.393 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 40.1 | -167.4 | -39.8 | 149.1 | 0 | 0 | 0 | 113.4 | P1276 H2032 Y2036 S2041 | P1276-L2043 WeakPolarHBondContact O-CD1 3.43Å; H2032-L2043 WeakPolarHBondContact ND1-CD1 3.43Å; Y2036-L2043 HydrophobicContact CD1-CB 4.03Å; Y2036-L2043 HydrophobicContact CD1-CD1 4.43Å; Y2036-L2043 HydrophobicContact CD2-CD1 4.48Å; Y2036-L2043 HydrophobicContact CE1-CB 3.63Å; Y2036-L2043 HydrophobicContact CE1-CD1 3.83Å; Y2036-L2043 HydrophobicContact CE1-CG 4.36Å; Y2036-L2043 HydrophobicContact CE2-CD1 3.83Å; Y2036-L2043 VanDerWaalsContact CZ-CD1 3.47Å; S2041-L2043 PolarHBondContact O-N 2.84Å |
| 2044 | R | 33.1 | Very low | 35.4 | Very low | 132 Ų | 132 | 96.9 Ų | 96.9 | 50% | 0.498 | 52% | 0.524 | S | S | . | . | S | Bend | -83.9 | 155.3 | 115.5 | -113.6 | -173.9 | -166.8 | 121.8 | -10.6 | 106.9 | I2040 S2041 | I2040-R2044 HydrophobicContact CG2-CG 4.31Å; I2040-R2044 VanDerWaalsContact CG2-CZ 3.48Å; I2040-R2044 VanDerWaalsContact O-CB 3.29Å; I2040-R2044 WeakPolarHBondContact O-CB 3.44Å; I2040-R2044 WeakPolarHBondContact O-CD 3.3Å; I2040-R2044 WeakPolarHBondContact O-CG 3.18Å; I2040-R2044 PolarHBondContact O-NH1 3.41Å; S2041-R2044 VanDerWaalsContact C-N 3.31Å; S2041-R2044 PolarHBondContact O-N 3.16Å | |
| 2045 | K | 37 | Very low | 35.3 | Very low | 173 Ų | 173 | 102.3 Ų | 102.3 | 75% | 0.752 | 55% | 0.549 | S | S | * | . | S | Bend | trans | 66.7 | 104 | 167 | -65.2 | -178.6 | 176.2 | -177.7 | 0 | 117.6 | ||
| 2046 | N | 36.9 | Very low | 34.9 | Very low | 157 Ų | 157 | 107.7 Ų | 107.7 | 84% | 0.84 | 58% | 0.578 | S | S | * | * | trans | 74.6 | 139.5 | 135.4 | -48.7 | -2.9 | 0 | 0 | 0 | 117.8 | ||||
| 2047 | A | 34 | Very low | 34.8 | Very low | 90 Ų | 90 | 114 Ų | 114 | 74% | 0.744 | 61% | 0.609 | S | S | * | * | cis | -172.9 | 179.5 | -16.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 2048 | P | 33.1 | Very low | 34.3 | Very low | 131 Ų | 131 | 117.2 Ų | 117.2 | 85% | 0.851 | 63% | 0.629 | S | S | * | * | S | Bend | cis | -121.8 | 149.3 | -15.6 | 37.1 | -22.8 | 0 | 0 | 0 | 113.4 | ||
| 2049 | G | 27.4 | Very low | 33.8 | Very low | 73 Ų | 73 | 113.7 Ų | 113.7 | 75% | 0.753 | 63% | 0.63 | S | S | * | * | trans | -174.9 | 23.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2050 | G | 29.8 | Very low | 33.6 | Very low | 69 Ų | 69 | 112.9 Ų | 112.9 | 71% | 0.711 | 65% | 0.649 | S | S | * | * | trans | -112.1 | 60.6 | -152.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G2052 | G2050-G2052 PolarHBondContact O-N 3.12Š| ||
| 2051 | L | 31.8 | Very low | 33.3 | Very low | 117 Ų | 117 | 114.2 Ų | 114.2 | 61% | 0.613 | 67% | 0.666 | S | S | * | * | trans | 53.9 | 64.9 | 135 | -49 | 165.5 | 0 | 0 | 0 | 115.1 | W2054 | L2051-W2054 HydrophobicContact CB-CH2 4.09Å; L2051-W2054 HydrophobicContact CB-CZ2 3.62Å; L2051-W2054 HydrophobicContact CD1-CH2 4.15Å; L2051-W2054 HydrophobicContact CD1-CZ2 3.64Å; L2051-W2054 HydrophobicContact CD2-CZ2 3.68Å; L2051-W2054 HydrophobicContact CG-CZ2 3.79Å | ||
| 2052 | G | 28.6 | Very low | 32.5 | Very low | 60 Ų | 60 | 117.7 Ų | 117.7 | 62% | 0.619 | 69% | 0.685 | S | S | * | * | trans | -79 | 137.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111 | G2050 W2054 | G2050-G2052 PolarHBondContact O-N 3.12Å; G2052-W2054 PolarHBondContact O-N 3.44Å | ||
| 2053 | D | 31.3 | Very low | 31.7 | Very low | 114 Ų | 114 | 123 Ų | 123 | 61% | 0.61 | 72% | 0.716 | S | S | * | * | trans | 37.9 | 58.9 | 156.5 | -60.5 | -5.1 | 0 | 0 | 0 | 118.7 | H2055 N2056 | D2053-H2055 PolarHBondContact O-N 2.81Å; D2053-N2056 HydrophobicContact CB-CB 4.22Å; D2053-N2056 PolarHBondContact O-N 3.37Å | ||
| 2054 | W | 30.3 | Very low | 31.7 | Very low | 174 Ų | 174 | 126.6 Ų | 126.6 | 66% | 0.659 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -18.6 | 168.1 | -57.7 | -70.3 | 0 | 0 | 0 | 115.1 | L2051 G2052 | L2051-W2054 HydrophobicContact CB-CH2 4.09Å; L2051-W2054 HydrophobicContact CB-CZ2 3.62Å; L2051-W2054 HydrophobicContact CD1-CH2 4.15Å; L2051-W2054 HydrophobicContact CD1-CZ2 3.64Å; L2051-W2054 HydrophobicContact CD2-CZ2 3.68Å; L2051-W2054 HydrophobicContact CG-CZ2 3.79Å; G2052-W2054 PolarHBondContact O-N 3.44Å |
| 2055 | H | 31.6 | Very low | 31.4 | Very low | 174 Ų | 174 | 125.1 Ų | 125.1 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -11.7 | 178 | -84.1 | 21.7 | 0 | 0 | 0 | 114.3 | D2053 | D2053-H2055 PolarHBondContact O-N 2.81Š|
| 2056 | N | 30.6 | Very low | 31 | Very low | 121 Ų | 121 | 121.4 Ų | 121.4 | 65% | 0.647 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -106.4 | 12.5 | 177.8 | -69.6 | -30 | 0 | 0 | 0 | 113.4 | D2053 | D2053-N2056 HydrophobicContact CB-CB 4.22Å; D2053-N2056 PolarHBondContact O-N 3.37Å |
| 2057 | Q | 35.5 | Very low | 30.9 | Very low | 173 Ų | 173 | 119.2 Ų | 119.2 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -126.6 | 15.3 | 175.4 | -66.6 | -165.4 | -10.9 | 0 | 0 | 114.3 | ||
| 2058 | L | 31.2 | Very low | 30.6 | Very low | 165 Ų | 165 | 121.1 Ų | 121.1 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -121 | 17.6 | 173.4 | -81.4 | 170.5 | 0 | 0 | 0 | 114 | ||
| 2059 | S | 30 | Very low | 30.4 | Very low | 94 Ų | 94 | 123.6 Ų | 123.6 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | trans | -124.6 | 105.7 | 164 | 45.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2060 | A | 30.9 | Very low | 30.5 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 90% | 0.901 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 116.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 2061 | S | 31 | Very low | 30.5 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 150.8 | 164.4 | -173.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 2062 | V | 30 | Very low | 30.6 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -67.6 | 163.4 | 164.3 | -171.1 | 0 | 0 | 0 | 0 | 109 | ||
| 2063 | D | 28.7 | Very low | 30.4 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 92.4 | 39.8 | 174.8 | -55.8 | -27.9 | 0 | 0 | 0 | 119.6 | ||
| 2064 | T | 33.5 | Very low | 30.4 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | trans | -160.4 | 109.2 | 134.3 | -1.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2065 | A | 27.3 | Very low | 30.5 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -146.2 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2066 | A | 27.4 | Very low | 30.4 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | trans | 81.5 | 153.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2067 | P | 35.5 | Very low | 30.5 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 72% | 0.721 | 83% | 0.826 | S | S | * | * | cis | -127.6 | 138.9 | 10.1 | 38 | -21.3 | 0 | 0 | 0 | 117.5 | ||||
| 2068 | V | 27.3 | Very low | 30.3 | Very low | 130 Ų | 130 | 135 Ų | 135 | 79% | 0.788 | 82% | 0.817 | S | S | * | * | 67.1 | 125.4 | 126.9 | 177.4 | 0 | 0 | 0 | 0 | 117 | |||||
| 2069 | Q | 29.8 | Very low | 30.8 | Very low | 184 Ų | 184 | 134.2 Ų | 134.2 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | cis | -136.5 | 164.6 | 43.8 | -78.4 | -166.1 | -2.3 | 0 | 0 | 115.5 | ||||
| 2070 | P | 28.9 | Very low | 31.3 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -93.9 | 114.4 | -176.4 | 34.9 | -31.8 | 0 | 0 | 0 | 114.2 | ||||
| 2071 | N | 28.7 | Very low | 31.9 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -177.5 | 97.2 | 147.9 | -101.4 | -35.6 | 0 | 0 | 0 | 110.7 | ||||
| 2072 | I | 33.9 | Very low | 32.4 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 91% | 0.908 | 80% | 0.795 | S | S | * | * | trans | 173.8 | 86.3 | 151.8 | -87.9 | 148.3 | 0 | 0 | 0 | 105.2 | ||||
| 2073 | A | 25.6 | Very low | 33.2 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -153.6 | 55.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2074 | N | 30.4 | Very low | 33.5 | Very low | 165 Ų | 165 | 133.7 Ų | 133.7 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -164 | 28.2 | 177.7 | -111.5 | -22.2 | 0 | 0 | 0 | 115.3 | ||
| 2075 | Q | 32.3 | Very low | 33.9 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -138.7 | 146.5 | 169.1 | -67.8 | -170.3 | -7.8 | 0 | 0 | 110.1 | ||
| 2076 | L | 30.4 | Very low | 34.8 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 93% | 0.927 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 80.6 | 17.7 | 177.5 | -57 | 176 | 0 | 0 | 0 | 119.8 | ||
| 2077 | I | 31.8 | Very low | 35.6 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 92% | 0.918 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -136.4 | 71.9 | 153.9 | -46.5 | 178.2 | 0 | 0 | 0 | 109.7 | ||
| 2078 | G | 32.1 | Very low | 35.8 | Very low | 61 Ų | 61 | 141.9 Ų | 141.9 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -154 | -6.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 2079 | N | 42.3 | Very low | 36.5 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -109.1 | 4.3 | -166.6 | -68.2 | 25.6 | 0 | 0 | 0 | 115.2 | ||
| 2080 | F | 40.4 | Very low | 37.1 | Very low | 121 Ų | 121 | 135 Ų | 135 | 53% | 0.531 | 74% | 0.74 | S | S | . | * | S | Bend | trans | -128 | 10 | -171.7 | -65.7 | -71.4 | 0 | 0 | 0 | 115.3 | L2099 Y2102 | F2080-L2099 HydrophobicContact CG-CD1 4.32Å; F2080-Y2102 HydrophobicContact CD1-CD1 4.25Å; F2080-Y2102 AromaticContact CD1-CE1 3.89Å; F2080-Y2102 HydrophobicContact CD1-CE1 3.89Å; F2080-Y2102 HydrophobicContact CE1-CE1 4.04Å |
| 2081 | F | 42.5 | Very low | 38.6 | Very low | 112 Ų | 112 | 132 Ų | 132 | 49% | 0.491 | 72% | 0.721 | S | S | . | * | trans | -134 | 133.2 | 172 | -68.6 | -78.3 | 0 | 0 | 0 | 110.3 | A2095 N2098 | F2081-A2095 HydrophobicContact CZ-CB 4.38Å; F2081-N2098 HydrophobicContact CE1-CB 3.76Å; F2081-N2098 HydrophobicContact CZ-CB 3.9Å | ||
| 2082 | T | 41.2 | Very low | 40 | Very low | 156 Ų | 156 | 130 Ų | 130 | 96% | 0.957 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -91.8 | -6.7 | -167.3 | 44.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 2083 | D | 47.4 | Very low | 41.1 | Very low | 79 Ų | 79 | 125.7 Ų | 125.7 | 42% | 0.422 | 70% | 0.696 | S | S | . | * | trans | -139.2 | 112.2 | 173.5 | -176.8 | -9 | 0 | 0 | 0 | 110.3 | K2085 | D2083-K2085 PolarHBondContact O-N 2.9Å; D2083-K2085 VanDerWaalsContact O-N 3.16Å; D2083-K2085 PolarHBondContact OD1-N 3.21Å | ||
| 2084 | P | 34.9 | Very low | 42.7 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 70% | 0.695 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -69.5 | -10.2 | -175.1 | 28.7 | -35.3 | 0 | 0 | 0 | 114.1 | ||
| 2085 | K | 41.3 | Very low | 43.8 | Very low | 186 Ų | 186 | 119.2 Ų | 119.2 | 81% | 0.809 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -79.4 | -16.6 | -176.8 | -68.7 | -176.4 | 178.8 | 178.1 | 0 | 114.7 | D2083 | D2083-K2085 PolarHBondContact O-N 2.9Å; D2083-K2085 VanDerWaalsContact O-N 3.16Å; D2083-K2085 PolarHBondContact OD1-N 3.21Å |
| 2086 | K | 46.8 | Very low | 45.2 | Very low | 151 Ų | 151 | 115.3 Ų | 115.3 | 66% | 0.657 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -85.3 | -6.8 | 175.4 | -69.8 | -174.7 | 177.1 | -179.6 | 0 | 114.1 | Q2088 | K2086-Q2088 VanDerWaalsContact C-N 3.26Å; K2086-Q2088 PolarHBondContact O-N 3.45Å |
| 2087 | V | 43.3 | Very low | 46.5 | Very low | 96 Ų | 96 | 111 Ų | 111 | 58% | 0.582 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -14.2 | -170.5 | -176.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 2088 | Q | 41.4 | Very low | 48.1 | Very low | 196 Ų | 196 | 106.7 Ų | 106.7 | 92% | 0.916 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -1.9 | -179.6 | -70.1 | -173.1 | -20.2 | 0 | 0 | 115.2 | K2086 | K2086-Q2088 VanDerWaalsContact C-N 3.26Å; K2086-Q2088 PolarHBondContact O-N 3.45Å |
| 2089 | S | 40.2 | Very low | 49.7 | Very low | 103 Ų | 103 | 106.7 Ų | 106.7 | 72% | 0.72 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.1 | -4.3 | -175 | 62.5 | 0 | 0 | 0 | 0 | 116.1 | ||
| 2090 | C | 44 | Very low | 51.3 | Low | 67 Ų | 67 | 103.8 Ų | 103.8 | 45% | 0.453 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -97.1 | 142.1 | 175.1 | -67.3 | 0 | 0 | 0 | 0 | 111.2 | E2094 | C2090-E2094 HydrophobicContact CB-CB 4.22Š|
| 2091 | S | 59.3 | Low | 52.7 | Low | 49 Ų | 49 | 101.3 Ų | 101.3 | 34% | 0.343 | 54% | 0.541 | S | S | . | . | trans | -69 | 157.2 | 173.7 | 62.6 | 0 | 0 | 0 | 0 | 112.5 | T2093 E2094 A2095 | S2091-T2093 PolarHBondContact O-N 3.34Å; S2091-E2094 VanDerWaalsContact CB-OE2 3.32Å; S2091-E2094 WeakPolarHBondContact CB-OE2 3.36Å; S2091-E2094 PolarHBondContact N-OE2 2.83Å; S2091-E2094 PolarHBondContact O-N 2.83Å; S2091-E2094 VanDerWaalsContact O-N 3.08Å; S2091-E2094 WeakPolarHBondContact OG-CG 3.29Å; S2091-E2094 PolarHBondContact OG-N 3.34Å; S2091-E2094 VanDerWaalsContact OG-N 3.07Å; S2091-E2094 PolarHBondContact OG-OE2 2.98Å; S2091-A2095 PolarHBondContact O-N 2.82Å | ||
| 2092 | V | 58.3 | Low | 53.9 | Low | 117 Ų | 117 | 101.2 Ų | 101.2 | 71% | 0.709 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -55.8 | -34.2 | 169.8 | 178 | 0 | 0 | 0 | 0 | 110.8 | A2095 L2096 | V2092-A2095 PolarHBondContact O-N 3.41Å; V2092-L2096 HydrophobicContact CG1-CD1 4.22Å; V2092-L2096 WeakPolarHBondContact O-CG 3.33Å; V2092-L2096 PolarHBondContact O-N 2.82Å |
| 2093 | T | 58.1 | Low | 55.1 | Low | 86 Ų | 86 | 98.4 Ų | 98.4 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57 | -56.7 | 172.2 | -46.2 | 0 | 0 | 0 | 0 | 110.8 | S2091 A2095 L2096 W2097 | S2091-T2093 PolarHBondContact O-N 3.34Å; T2093-A2095 VanDerWaalsContact C-N 3.3Å; T2093-A2095 PolarHBondContact O-N 2.88Å; T2093-L2096 WeakPolarHBondContact O-CB 3.33Å; T2093-L2096 PolarHBondContact O-N 3.38Å; T2093-W2097 PolarHBondContact O-N 3.38Å |
| 2094 | E | 57.5 | Low | 55.9 | Low | 88 Ų | 88 | 99.5 Ų | 99.5 | 41% | 0.411 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -35.8 | 177.7 | -72.9 | 158.4 | 110.9 | 0 | 0 | 112.9 | C2090 S2091 L2096 W2097 N2098 | C2090-E2094 HydrophobicContact CB-CB 4.22Å; S2091-E2094 VanDerWaalsContact CB-OE2 3.32Å; S2091-E2094 WeakPolarHBondContact CB-OE2 3.36Å; S2091-E2094 PolarHBondContact N-OE2 2.83Å; S2091-E2094 PolarHBondContact O-N 2.83Å; S2091-E2094 VanDerWaalsContact O-N 3.08Å; S2091-E2094 WeakPolarHBondContact OG-CG 3.29Å; S2091-E2094 PolarHBondContact OG-N 3.34Å; S2091-E2094 VanDerWaalsContact OG-N 3.07Å; S2091-E2094 PolarHBondContact OG-OE2 2.98Å; E2094-L2096 VanDerWaalsContact C-N 3.3Å; E2094-L2096 PolarHBondContact O-N 3.21Å; E2094-W2097 PolarHBondContact O-N 2.98Å; E2094-N2098 WeakPolarHBondContact O-CB 3.5Å; E2094-N2098 PolarHBondContact O-N 2.99Å; E2094-N2098 PolarHBondContact O-ND2 3.39Å |
| 2095 | A | 54.1 | Low | 57.3 | Low | 36 Ų | 36 | 99 Ų | 99 | 30% | 0.298 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | F2081 S2091 V2092 T2093 L2099 | F2081-A2095 HydrophobicContact CZ-CB 4.38Å; S2091-A2095 PolarHBondContact O-N 2.82Å; V2092-A2095 PolarHBondContact O-N 3.41Å; T2093-A2095 VanDerWaalsContact C-N 3.3Å; T2093-A2095 PolarHBondContact O-N 2.88Å; A2095-L2099 WeakPolarHBondContact O-CB 3.36Å; A2095-L2099 PolarHBondContact O-N 3.33Å |
| 2096 | L | 62.7 | Low | 58.8 | Low | 106 Ų | 106 | 93 Ų | 93 | 56% | 0.555 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -72.1 | -36.8 | 175 | -71.6 | 167.7 | 0 | 0 | 0 | 113 | V2092 T2093 E2094 L2099 R2100 | V2092-L2096 HydrophobicContact CG1-CD1 4.22Å; V2092-L2096 WeakPolarHBondContact O-CG 3.33Å; V2092-L2096 PolarHBondContact O-N 2.82Å; T2093-L2096 WeakPolarHBondContact O-CB 3.33Å; T2093-L2096 PolarHBondContact O-N 3.38Å; E2094-L2096 VanDerWaalsContact C-N 3.3Å; E2094-L2096 PolarHBondContact O-N 3.21Å; L2096-L2099 PolarHBondContact O-N 3.31Å; L2096-R2100 WeakPolarHBondContact O-CB 3.45Å; L2096-R2100 PolarHBondContact O-N 2.98Å |
| 2097 | W | 57.9 | Low | 59.7 | Low | 87 Ų | 87 | 88.3 Ų | 88.3 | 33% | 0.33 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 172.6 | -76.4 | 99.5 | 0 | 0 | 0 | 111.5 | N1040 T2093 E2094 L2099 R2100 D2101 | N1040-W2097 HydrophobicContact CB-CH2 3.69Å; N1040-W2097 HydrophobicContact CB-CZ2 3.64Å; T2093-W2097 PolarHBondContact O-N 3.38Å; E2094-W2097 PolarHBondContact O-N 2.98Å; W2097-L2099 VanDerWaalsContact C-N 3.32Å; W2097-L2099 PolarHBondContact O-N 3.47Å; W2097-R2100 VanDerWaalsContact CZ3-CZ 3.46Å; W2097-R2100 WeakPolarHBondContact O-CB 3.44Å; W2097-R2100 PolarHBondContact O-N 2.95Å; W2097-D2101 PolarHBondContact O-N 3.25Å |
| 2098 | N | 65.3 | Low | 60.4 | Low | 89 Ų | 89 | 88.3 Ų | 88.3 | 48% | 0.476 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 176.4 | -75.3 | -70.8 | 0 | 0 | 0 | 112.2 | F2081 E2094 Y2102 | F2081-N2098 HydrophobicContact CE1-CB 3.76Å; F2081-N2098 HydrophobicContact CZ-CB 3.9Å; E2094-N2098 WeakPolarHBondContact O-CB 3.5Å; E2094-N2098 PolarHBondContact O-N 2.99Å; E2094-N2098 PolarHBondContact O-ND2 3.39Å; N2098-Y2102 VanDerWaalsContact O-CB 3.28Å; N2098-Y2102 WeakPolarHBondContact O-CB 3.3Å; N2098-Y2102 PolarHBondContact O-N 2.88Å |
| 2099 | L | 66 | Low | 61.7 | Low | 60 Ų | 60 | 82.5 Ų | 82.5 | 31% | 0.314 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 175.1 | -178.3 | 62.2 | 0 | 0 | 0 | 112.2 | F2080 A2095 L2096 W2097 L2103 | F2080-L2099 HydrophobicContact CG-CD1 4.32Å; A2095-L2099 WeakPolarHBondContact O-CB 3.36Å; A2095-L2099 PolarHBondContact O-N 3.33Å; L2096-L2099 PolarHBondContact O-N 3.31Å; W2097-L2099 VanDerWaalsContact C-N 3.32Å; W2097-L2099 PolarHBondContact O-N 3.47Å; L2099-L2103 HydrophobicContact CD1-CD1 4.26Å; L2099-L2103 HydrophobicContact CD1-CG 4.36Å; L2099-L2103 HydrophobicContact CG-CD1 4.11Å; L2099-L2103 WeakPolarHBondContact O-CB 3.5Å; L2099-L2103 VanDerWaalsContact O-CG 3.29Å; L2099-L2103 WeakPolarHBondContact O-CG 3.4Å; L2099-L2103 PolarHBondContact O-N 2.94Å |
| 2100 | R | 74 | Confident | 62.8 | Low | 87 Ų | 87 | 82 Ų | 82 | 33% | 0.328 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 175.9 | -172 | -159.7 | 75.5 | 162.9 | 8.5 | 110.9 | S1042 L2096 W2097 L2103 L2104 | S1042-R2100 PolarHBondContact OG-NH1 3.15Å; L2096-R2100 WeakPolarHBondContact O-CB 3.45Å; L2096-R2100 PolarHBondContact O-N 2.98Å; W2097-R2100 VanDerWaalsContact CZ3-CZ 3.46Å; W2097-R2100 WeakPolarHBondContact O-CB 3.44Å; W2097-R2100 PolarHBondContact O-N 2.95Å; R2100-L2103 PolarHBondContact O-N 3.43Å; R2100-L2104 WeakPolarHBondContact O-CB 3.47Å; R2100-L2104 PolarHBondContact O-N 2.87Å |
| 2101 | D | 70 | Confident | 62.9 | Low | 70 Ų | 70 | 87.4 Ų | 87.4 | 37% | 0.374 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -72.8 | -33.5 | -176 | -64.8 | -15.4 | 0 | 0 | 0 | 111.1 | W2097 L2104 E2105 | W2097-D2101 PolarHBondContact O-N 3.25Å; D2101-L2104 PolarHBondContact O-N 2.97Å; D2101-E2105 WeakPolarHBondContact O-CB 3.43Å; D2101-E2105 PolarHBondContact O-N 3.2Å |
| 2102 | Y | 68.1 | Low | 62.2 | Low | 109 Ų | 109 | 90 Ų | 90 | 43% | 0.427 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 168.5 | -177.1 | -93.8 | 0 | 0 | 0 | 112.6 | F2080 N2098 L2104 E2105 D2106 | F2080-Y2102 HydrophobicContact CD1-CD1 4.25Å; F2080-Y2102 AromaticContact CD1-CE1 3.89Å; F2080-Y2102 HydrophobicContact CD1-CE1 3.89Å; F2080-Y2102 HydrophobicContact CE1-CE1 4.04Å; N2098-Y2102 VanDerWaalsContact O-CB 3.28Å; N2098-Y2102 WeakPolarHBondContact O-CB 3.3Å; N2098-Y2102 PolarHBondContact O-N 2.88Å; Y2102-L2104 VanDerWaalsContact C-N 3.32Å; Y2102-L2104 PolarHBondContact O-N 3.33Å; Y2102-E2105 PolarHBondContact O-N 3.14Å; Y2102-D2106 PolarHBondContact O-N 3.04Å |
| 2103 | L | 66.1 | Low | 61.8 | Low | 98 Ų | 98 | 92.8 Ų | 92.8 | 51% | 0.513 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.4 | -33.6 | 176.7 | -72.6 | 170.3 | 0 | 0 | 0 | 112.3 | L2099 R2100 A2107 | L2099-L2103 HydrophobicContact CD1-CD1 4.26Å; L2099-L2103 HydrophobicContact CD1-CG 4.36Å; L2099-L2103 HydrophobicContact CG-CD1 4.11Å; L2099-L2103 WeakPolarHBondContact O-CB 3.5Å; L2099-L2103 VanDerWaalsContact O-CG 3.29Å; L2099-L2103 WeakPolarHBondContact O-CG 3.4Å; L2099-L2103 PolarHBondContact O-N 2.94Å; R2100-L2103 PolarHBondContact O-N 3.43Å; L2103-A2107 VanDerWaalsContact O-CB 3.3Å; L2103-A2107 WeakPolarHBondContact O-CB 3.4Å; L2103-A2107 PolarHBondContact O-N 3.33Å |
| 2104 | L | 65.2 | Low | 61.2 | Low | 101 Ų | 101 | 93 Ų | 93 | 53% | 0.529 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 173.4 | -169.7 | 69.7 | 0 | 0 | 0 | 111.1 | R2100 D2101 Y2102 A2107 L2108 | R2100-L2104 WeakPolarHBondContact O-CB 3.47Å; R2100-L2104 PolarHBondContact O-N 2.87Å; D2101-L2104 PolarHBondContact O-N 2.97Å; Y2102-L2104 VanDerWaalsContact C-N 3.32Å; Y2102-L2104 PolarHBondContact O-N 3.33Å; L2104-A2107 PolarHBondContact O-N 3.43Å; L2104-L2108 HydrophobicContact CG-CD1 4.48Å; L2104-L2108 WeakPolarHBondContact O-CB 3.46Å; L2104-L2108 VanDerWaalsContact O-CG 3.26Å; L2104-L2108 WeakPolarHBondContact O-CG 3.33Å; L2104-L2108 PolarHBondContact O-N 3.1Å |
| 2105 | E | 64.1 | Low | 60.4 | Low | 97 Ų | 97 | 94.2 Ų | 94.2 | 45% | 0.453 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 176 | -152.4 | -157.9 | 161.2 | 0 | 0 | 111.8 | D2101 Y2102 L2108 K2109 | D2101-E2105 WeakPolarHBondContact O-CB 3.43Å; D2101-E2105 PolarHBondContact O-N 3.2Å; Y2102-E2105 PolarHBondContact O-N 3.14Å; E2105-L2108 PolarHBondContact O-N 2.92Å; E2105-K2109 VanDerWaalsContact CD-CE 3.48Å; E2105-K2109 WeakPolarHBondContact O-CB 3.25Å; E2105-K2109 WeakPolarHBondContact O-CD 3.31Å; E2105-K2109 VanDerWaalsContact O-CG 3.24Å; E2105-K2109 WeakPolarHBondContact O-CG 3.34Å; E2105-K2109 PolarHBondContact O-N 3.07Å; E2105-K2109 WeakPolarHBondContact OE1-CE 3.45Å; E2105-K2109 IonicContact OE1-NZ 2.78Å; E2105-K2109 PolarHBondContact OE1-NZ 3.42Å; E2105-K2109 IonicContact OE2-NZ 3.21Å; E2105-K2109 PolarHBondContact OE2-NZ 2.89Å |
| 2106 | D | 73 | Confident | 59.6 | Low | 59 Ų | 59 | 99.1 Ų | 99.1 | 32% | 0.316 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.8 | -38 | 176.6 | -157.9 | 51 | 0 | 0 | 0 | 112 | Y2102 L2108 K2109 I2110 | Y2102-D2106 PolarHBondContact O-N 3.04Å; D2106-L2108 VanDerWaalsContact C-N 3.31Å; D2106-L2108 PolarHBondContact O-N 3.35Å; D2106-K2109 CarbonylContact O-C 3.11Å; D2106-K2109 PolarHBondContact O-N 3.5Å; D2106-I2110 WeakPolarHBondContact O-CG1 3.07Å; D2106-I2110 PolarHBondContact O-N 3.18Å |
| 2107 | A | 65.1 | Low | 58.3 | Low | 54 Ų | 54 | 97.5 Ų | 97.5 | 45% | 0.446 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 170 | 0 | 0 | 0 | 0 | 0 | 112.5 | L2103 L2104 I2110 R2111 | L2103-A2107 VanDerWaalsContact O-CB 3.3Å; L2103-A2107 WeakPolarHBondContact O-CB 3.4Å; L2103-A2107 PolarHBondContact O-N 3.33Å; L2104-A2107 PolarHBondContact O-N 3.43Å; A2107-I2110 PolarHBondContact O-N 2.82Å; A2107-R2111 PolarHBondContact O-N 3.35Å |
| 2108 | L | 58 | Low | 57.1 | Low | 95 Ų | 95 | 97.3 Ų | 97.3 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.9 | -38.5 | 172.3 | -72.9 | 168.3 | 0 | 0 | 0 | 111.9 | L2104 E2105 D2106 R2111 L2112 | L2104-L2108 HydrophobicContact CG-CD1 4.48Å; L2104-L2108 WeakPolarHBondContact O-CB 3.46Å; L2104-L2108 VanDerWaalsContact O-CG 3.26Å; L2104-L2108 WeakPolarHBondContact O-CG 3.33Å; L2104-L2108 PolarHBondContact O-N 3.1Å; E2105-L2108 PolarHBondContact O-N 2.92Å; D2106-L2108 VanDerWaalsContact C-N 3.31Å; D2106-L2108 PolarHBondContact O-N 3.35Å; L2108-R2111 PolarHBondContact O-N 2.67Å; L2108-L2112 WeakPolarHBondContact O-CB 3.33Å; L2108-L2112 WeakPolarHBondContact O-CG 3.44Å; L2108-L2112 PolarHBondContact O-N 2.82Å |
| 2109 | K | 68.8 | Low | 55.3 | Low | 75 Ų | 75 | 102.1 Ų | 102.1 | 33% | 0.326 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -37 | 173.1 | -73.8 | 160.8 | -174.8 | 164.9 | 0 | 112.2 | E2105 D2106 L2112 R2113 | E2105-K2109 VanDerWaalsContact CD-CE 3.48Å; E2105-K2109 WeakPolarHBondContact O-CB 3.25Å; E2105-K2109 WeakPolarHBondContact O-CD 3.31Å; E2105-K2109 VanDerWaalsContact O-CG 3.24Å; E2105-K2109 WeakPolarHBondContact O-CG 3.34Å; E2105-K2109 PolarHBondContact O-N 3.07Å; E2105-K2109 WeakPolarHBondContact OE1-CE 3.45Å; E2105-K2109 IonicContact OE1-NZ 2.78Å; E2105-K2109 PolarHBondContact OE1-NZ 3.42Å; E2105-K2109 IonicContact OE2-NZ 3.21Å; E2105-K2109 PolarHBondContact OE2-NZ 2.89Å; D2106-K2109 CarbonylContact O-C 3.11Å; D2106-K2109 PolarHBondContact O-N 3.5Å; K2109-L2112 PolarHBondContact O-N 3.01Å; K2109-R2113 WeakPolarHBondContact O-CB 3.4Å; K2109-R2113 VanDerWaalsContact O-CG 3.3Å; K2109-R2113 WeakPolarHBondContact O-CG 3.45Å; K2109-R2113 PolarHBondContact O-N 2.92Å |
| 2110 | I | 63.5 | Low | 53.6 | Low | 91 Ų | 91 | 108.3 Ų | 108.3 | 47% | 0.467 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.4 | -48.3 | 170.9 | -70 | 164.5 | 0 | 0 | 0 | 109.8 | D2106 A2107 L2112 R2113 C2114 | D2106-I2110 WeakPolarHBondContact O-CG1 3.07Å; D2106-I2110 PolarHBondContact O-N 3.18Å; A2107-I2110 PolarHBondContact O-N 2.82Å; I2110-L2112 VanDerWaalsContact C-N 3.33Å; I2110-L2112 PolarHBondContact O-N 2.83Å; I2110-R2113 PolarHBondContact O-N 3.07Å; I2110-C2114 PolarHBondContact O-N 2.9Å; I2110-C2114 PolarHBondContact O-SG 2.98Å; I2110-C2114 VanDerWaalsContact O-SG 3.34Å |
| 2111 | R | 45.5 | Very low | 52.6 | Low | 181 Ų | 181 | 109.4 Ų | 109.4 | 68% | 0.683 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.1 | -37.8 | 177.8 | -170.2 | 170.4 | -177.9 | 146.7 | 2.5 | 112.9 | A2107 L2108 C2114 L2115 | A2107-R2111 PolarHBondContact O-N 3.35Å; L2108-R2111 PolarHBondContact O-N 2.67Å; R2111-C2114 PolarHBondContact O-N 2.96Å; R2111-L2115 HydrophobicContact CG-CD1 4.38Å; R2111-L2115 WeakPolarHBondContact O-CG 3.37Å; R2111-L2115 PolarHBondContact O-N 2.84Å; R2111-L2115 VanDerWaalsContact O-N 3.11Å |
| 2112 | L | 44.7 | Very low | 51.7 | Low | 103 Ų | 103 | 111.5 Ų | 111.5 | 54% | 0.539 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.1 | -39 | 173.9 | -77.8 | 162.1 | 0 | 0 | 0 | 112.3 | L2108 K2109 I2110 L2115 N2116 | L2108-L2112 WeakPolarHBondContact O-CB 3.33Å; L2108-L2112 WeakPolarHBondContact O-CG 3.44Å; L2108-L2112 PolarHBondContact O-N 2.82Å; K2109-L2112 PolarHBondContact O-N 3.01Å; I2110-L2112 VanDerWaalsContact C-N 3.33Å; I2110-L2112 PolarHBondContact O-N 2.83Å; L2112-L2115 PolarHBondContact O-N 3.23Å; L2112-N2116 WeakPolarHBondContact O-CB 3.21Å; L2112-N2116 PolarHBondContact O-N 3.31Å; L2112-N2116 PolarHBondContact O-OD1 3.23Å |
| 2113 | R | 51.4 | Low | 50.8 | Low | 176 Ų | 176 | 111.6 Ų | 111.6 | 66% | 0.664 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.2 | -37.5 | 172.7 | -74.2 | 176.2 | -171.5 | 172 | 7 | 112.3 | K2109 I2110 L2115 N2116 A2117 | K2109-R2113 WeakPolarHBondContact O-CB 3.4Å; K2109-R2113 VanDerWaalsContact O-CG 3.3Å; K2109-R2113 WeakPolarHBondContact O-CG 3.45Å; K2109-R2113 PolarHBondContact O-N 2.92Å; I2110-R2113 PolarHBondContact O-N 3.07Å; R2113-L2115 VanDerWaalsContact C-N 3.3Å; R2113-L2115 PolarHBondContact O-N 3.3Å; R2113-N2116 PolarHBondContact O-N 3.02Å; R2113-A2117 WeakPolarHBondContact O-CB 3.4Å; R2113-A2117 PolarHBondContact O-N 3.32Å; R2113-A2117 VanDerWaalsContact O-N 3.15Å |
| 2114 | C | 44 | Very low | 49.9 | Very low | 90 Ų | 90 | 112.4 Ų | 112.4 | 61% | 0.608 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.4 | -23.1 | 174.8 | -66.6 | 0 | 0 | 0 | 0 | 113.6 | I2110 R2111 | I2110-C2114 PolarHBondContact O-N 2.9Å; I2110-C2114 PolarHBondContact O-SG 2.98Å; I2110-C2114 VanDerWaalsContact O-SG 3.34Å; R2111-C2114 PolarHBondContact O-N 2.96Å |
| 2115 | L | 40.8 | Very low | 48.9 | Very low | 114 Ų | 114 | 113.1 Ų | 113.1 | 60% | 0.597 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -84 | -36.2 | 173.4 | -74.2 | 164.8 | 0 | 0 | 0 | 112 | R2111 L2112 R2113 A2117 | R2111-L2115 HydrophobicContact CG-CD1 4.38Å; R2111-L2115 WeakPolarHBondContact O-CG 3.37Å; R2111-L2115 PolarHBondContact O-N 2.84Å; R2111-L2115 VanDerWaalsContact O-N 3.11Å; L2112-L2115 PolarHBondContact O-N 3.23Å; R2113-L2115 VanDerWaalsContact C-N 3.3Å; R2113-L2115 PolarHBondContact O-N 3.3Å; L2115-A2117 PolarHBondContact O-N 3.25Å |
| 2116 | N | 37.9 | Very low | 47.9 | Very low | 139 Ų | 139 | 114.2 Ų | 114.2 | 74% | 0.743 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 10.3 | 175.6 | -68.4 | 23.6 | 0 | 0 | 0 | 113.6 | L2112 R2113 | L2112-N2116 WeakPolarHBondContact O-CB 3.21Å; L2112-N2116 PolarHBondContact O-N 3.31Å; L2112-N2116 PolarHBondContact O-OD1 3.23Å; R2113-N2116 PolarHBondContact O-N 3.02Å |
| 2117 | A | 35.1 | Very low | 46.1 | Very low | 72 Ų | 72 | 118.1 Ų | 118.1 | 60% | 0.595 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 15.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R2113 L2115 | R2113-A2117 WeakPolarHBondContact O-CB 3.4Å; R2113-A2117 PolarHBondContact O-N 3.32Å; R2113-A2117 VanDerWaalsContact O-N 3.15Å; L2115-A2117 PolarHBondContact O-N 3.25Å |
| 2118 | A | 32.8 | Very low | 44.6 | Very low | 84 Ų | 84 | 123.1 Ų | 123.1 | 69% | 0.694 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -98.4 | 15.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 2119 | E | 27.7 | Very low | 43.5 | Very low | 189 Ų | 189 | 125.4 Ų | 125.4 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | trans | -122.5 | 56.5 | 171.1 | -67.8 | -170.3 | 144.6 | 0 | 0 | 110.5 | ||||
| 2120 | C | 30.2 | Very low | 41.2 | Very low | 191 Ų | 191 | 130 Ų | 130 | 100% | 1.291 | 71% | 0.706 | S | S | * | * | trans | -153.9 | 0 | 168.6 | -89 | 0 | 0 | 0 | 0 | 110 |
Retrieved 2,120 of 2,120 residues in 542.2 ms
(Link to these results)