| 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 | 39.7 | Very low | 35.6 | Very low | 247 Ų | 247 | 160.1 Ų | 160.1 | 100% | 1.217 | 83% | 0.832 | S | S | * | * | 0 | 106.5 | 0 | -151.9 | 157.8 | -178.4 | 0 | 0 | 105.2 | |||||
| 2 | F | 35.6 | Very low | 35.6 | Very low | 194 Ų | 194 | 156.5 Ų | 156.5 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | trans | -65.7 | 136.5 | 174.5 | -81.8 | -99.5 | 0 | 0 | 0 | 107.9 | ||||
| 3 | D | 38.4 | Very low | 35.4 | Very low | 157 Ų | 157 | 158.3 Ų | 158.3 | 84% | 0.84 | 83% | 0.831 | S | S | * | * | trans | -141.5 | 124.8 | 137 | -128.9 | -22.5 | 0 | 0 | 0 | 109.1 | ||||
| 4 | S | 33.8 | Very low | 34.8 | Very low | 84 Ų | 84 | 162.5 Ų | 162.5 | 59% | 0.587 | 83% | 0.833 | S | S | * | * | trans | -131.6 | 113.3 | -176.6 | -57.7 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 5 | N | 35.4 | Very low | 34.9 | Very low | 140 Ų | 140 | 164.2 Ų | 164.2 | 75% | 0.749 | 84% | 0.839 | S | S | * | * | trans | 175.1 | 140 | 171.3 | -96 | -20.5 | 0 | 0 | 0 | 105.8 | ||||
| 6 | Q | 35.6 | Very low | 34.7 | Very low | 157 Ų | 157 | 158 Ų | 158 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | cis | -162 | 133.7 | 8.3 | -151.3 | 158.5 | 36.1 | 0 | 0 | 106.8 | ||||
| 7 | T | 35.4 | Very low | 34.8 | Very low | 112 Ų | 112 | 155.8 Ų | 155.8 | 69% | 0.687 | 83% | 0.829 | S | S | * | * | trans | -5.7 | 118.9 | 143.6 | 5.2 | 0 | 0 | 0 | 0 | 117.2 | E9 | T7-E9 HydrophobicContact CG2-CG 4.33Š| ||
| 8 | E | 37.2 | Very low | 34.7 | Very low | 199 Ų | 199 | 158.3 Ų | 158.3 | 93% | 0.93 | 84% | 0.835 | S | S | * | * | trans | -126.4 | 104.3 | 142.6 | -88.8 | -173.5 | 141.3 | 0 | 0 | 108.6 | ||||
| 9 | E | 31.7 | Very low | 34.7 | Very low | 177 Ų | 177 | 155.3 Ų | 155.3 | 83% | 0.827 | 83% | 0.828 | S | S | * | * | trans | -75.4 | 118.2 | 167.3 | -66.9 | 177.1 | 147.5 | 0 | 0 | 108.6 | T7 | T7-E9 HydrophobicContact CG2-CG 4.33Š| ||
| 10 | A | 39.3 | Very low | 34.7 | Very low | 98 Ų | 98 | 153.3 Ų | 153.3 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | trans | -124 | 89.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | S12 | A10-S12 PolarHBondContact O-N 3.36Š| ||
| 11 | Q | 29.4 | Very low | 34.8 | Very low | 196 Ų | 196 | 152.8 Ų | 152.8 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -64.6 | 115.8 | 164.1 | -78.4 | 176.5 | -26.2 | 0 | 0 | 109 | ||||
| 12 | S | 36.5 | Very low | 34.8 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -137.7 | 82.3 | 161.5 | -156.6 | 0 | 0 | 0 | 0 | 110.4 | A10 | A10-S12 PolarHBondContact O-N 3.36Š| ||
| 13 | Q | 32.7 | Very low | 34.8 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | 17.3 | 105.6 | 136 | -151.9 | 166.2 | -0.7 | 0 | 0 | 119.2 | ||||
| 14 | Y | 26.3 | Very low | 34.9 | Very low | 217 Ų | 217 | 142.7 Ų | 142.7 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | 38.4 | 102.4 | 125.4 | -111.1 | -93.8 | 0 | 0 | 0 | 119.9 | |||||
| 15 | M | 37.3 | Very low | 35.3 | Very low | 188 Ų | 188 | 147.3 Ų | 147.3 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | trans | -150.8 | 109.9 | 138.7 | -79.6 | -73.4 | 177.2 | 0 | 0 | 103.9 | ||||
| 16 | G | 31.7 | Very low | 35.6 | Very low | 65 Ų | 65 | 144.7 Ų | 144.7 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | 84.8 | 61.4 | 57 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 17 | S | 36.4 | Very low | 36.3 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -149.9 | 95.6 | 165 | -72.5 | 0 | 0 | 0 | 0 | 109.4 | S19 | S17-S19 PolarHBondContact O-N 3.41Š| ||
| 18 | Q | 32.6 | Very low | 37.1 | Very low | 202 Ų | 202 | 140.6 Ų | 140.6 | 94% | 0.944 | 78% | 0.778 | S | S | * | * | trans | -64.4 | 112.7 | 160.3 | -77.3 | 168.1 | -24.3 | 0 | 0 | 107.6 | ||||
| 19 | S | 35.1 | Very low | 38.1 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | -133.6 | 107.8 | 152.9 | -161.8 | 0 | 0 | 0 | 0 | 106.9 | S17 D21 | S17-S19 PolarHBondContact O-N 3.41Å; S19-D21 PolarHBondContact O-N 2.99Å; S19-D21 VanDerWaalsContact O-N 3.13Å | ||
| 20 | S | 35.2 | Very low | 40 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -58.3 | 106.2 | 167.4 | -67.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 21 | D | 36 | Very low | 42.1 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | trans | -127.5 | 98.4 | 155.3 | -78.2 | -48.4 | 0 | 0 | 0 | 107.6 | S19 D23 | S19-D21 PolarHBondContact O-N 2.99Å; S19-D21 VanDerWaalsContact O-N 3.13Å; D21-D23 PolarHBondContact O-N 3.34Å | ||
| 22 | N | 39.5 | Very low | 44.7 | Very low | 159 Ų | 159 | 124.9 Ų | 124.9 | 85% | 0.85 | 70% | 0.7 | S | S | * | * | trans | -68.5 | 67.6 | 176.6 | -159.2 | 23.9 | 0 | 0 | 0 | 107.8 | S24 | N22-S24 PolarHBondContact O-N 3.25Š| ||
| 23 | D | 35.9 | Very low | 47 | Very low | 145 Ų | 145 | 122.1 Ų | 122.1 | 78% | 0.775 | 67% | 0.674 | S | S | * | * | trans | -83.7 | 79.7 | 176.4 | -141.5 | 1.8 | 0 | 0 | 0 | 107.7 | D21 H25 | D21-D23 PolarHBondContact O-N 3.34Å; D23-H25 PolarHBondContact O-N 3.47Å | ||
| 24 | S | 40.3 | Very low | 49.6 | Very low | 81 Ų | 81 | 118.1 Ų | 118.1 | 57% | 0.566 | 66% | 0.655 | S | S | * | * | trans | -49.8 | 105.3 | 169.5 | 52.5 | 0 | 0 | 0 | 0 | 108 | N22 A26 | N22-S24 PolarHBondContact O-N 3.25Å; S24-A26 PolarHBondContact O-N 2.95Å | ||
| 25 | H | 41.9 | Very low | 52.6 | Low | 181 Ų | 181 | 115.8 Ų | 115.8 | 84% | 0.838 | 65% | 0.645 | S | S | * | * | trans | -53.2 | 86.2 | 166 | -84.1 | -79.7 | 0 | 0 | 0 | 109 | D23 V27 | D23-H25 PolarHBondContact O-N 3.47Å; H25-V27 HydrophobicContact CB-CG2 4.39Å; H25-V27 PolarHBondContact O-N 3.46Å | ||
| 26 | A | 42.5 | Very low | 55.1 | Low | 86 Ų | 86 | 108 Ų | 108 | 71% | 0.711 | 61% | 0.607 | S | S | * | * | trans | -74.2 | 65.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107 | S24 E28 | S24-A26 PolarHBondContact O-N 2.95Å; A26-E28 PolarHBondContact O-N 2.92Å; A26-E28 VanDerWaalsContact O-N 3.1Å | ||
| 27 | V | 49.4 | Very low | 57.9 | Low | 70 Ų | 70 | 109.1 Ų | 109.1 | 42% | 0.424 | 60% | 0.597 | S | S | . | * | trans | -59.6 | 112.3 | 154.7 | 178 | 0 | 0 | 0 | 0 | 103.5 | H25 E32 | H25-V27 HydrophobicContact CB-CG2 4.39Å; H25-V27 PolarHBondContact O-N 3.46Å; V27-E32 HydrophobicContact CG1-CG 3.88Å | ||
| 28 | E | 51.9 | Low | 60.5 | Low | 113 Ų | 113 | 110.5 Ų | 110.5 | 53% | 0.528 | 58% | 0.584 | S | S | . | * | trans | -56.3 | 129.6 | -173.7 | -77.2 | -150.8 | 156.4 | 0 | 0 | 109.1 | A26 N30 D31 | A26-E28 PolarHBondContact O-N 2.92Å; A26-E28 VanDerWaalsContact O-N 3.1Å; E28-N30 PolarHBondContact O-N 2.95Å; E28-D31 PolarHBondContact O-N 3.44Å | ||
| 29 | P | 59.6 | Low | 63.4 | Low | 74 Ų | 74 | 104.2 Ų | 104.2 | 48% | 0.481 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -56.6 | -21.5 | -177.4 | 22 | -33.5 | 0 | 0 | 0 | 112.4 | E32 Q33 | P29-E32 PolarHBondContact O-N 2.9Å; P29-Q33 WeakPolarHBondContact O-CB 3.27Å; P29-Q33 PolarHBondContact O-N 3.33Å |
| 30 | N | 71.2 | Confident | 66.1 | Low | 107 Ų | 107 | 101 Ų | 101 | 57% | 0.572 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.2 | -40.8 | 177.1 | -134.7 | 20.9 | 0 | 0 | 0 | 112.8 | E28 E32 Q33 E34 | E28-N30 PolarHBondContact O-N 2.95Å; N30-E32 VanDerWaalsContact C-N 3.31Å; N30-E32 PolarHBondContact O-N 3.45Å; N30-Q33 PolarHBondContact O-N 2.89Å; N30-E34 WeakPolarHBondContact O-CB 3.17Å; N30-E34 PolarHBondContact O-N 3.24Å |
| 31 | D | 82.8 | Confident | 68.9 | Low | 73 Ų | 73 | 101.8 Ų | 101.8 | 39% | 0.39 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 178.3 | -71.3 | -20.1 | 0 | 0 | 0 | 110.2 | E28 R35 R381 | E28-D31 PolarHBondContact O-N 3.44Å; D31-R35 WeakPolarHBondContact O-CB 3.4Å; D31-R35 PolarHBondContact O-N 2.89Å; D31-R35 VanDerWaalsContact O-N 3.1Å; D31-R381 IonicContact OD2-CZ 3.34Å; D31-R381 IonicContact OD2-NH2 3.96Å; D31-R381 PolarHBondContact OD2-NH2 3.49Å |
| 32 | E | 84.7 | Confident | 71.7 | Confident | 85 Ų | 85 | 99.2 Ų | 99.2 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.1 | -41.3 | 178.4 | -65.9 | -168.3 | 166.1 | 0 | 0 | 112.6 | V27 P29 N30 R35 L36 L113 | V27-E32 HydrophobicContact CG1-CG 3.88Å; P29-E32 PolarHBondContact O-N 2.9Å; N30-E32 VanDerWaalsContact C-N 3.31Å; N30-E32 PolarHBondContact O-N 3.45Å; E32-R35 WeakPolarHBondContact O-CB 3.27Å; E32-R35 PolarHBondContact O-N 3.44Å; E32-L36 PolarHBondContact O-N 3.22Å; E32-L113 HydrophobicContact CB-CD2 3.67Å |
| 33 | Q | 84.6 | Confident | 74.4 | Confident | 59 Ų | 59 | 92.1 Ų | 92.1 | 28% | 0.276 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 175.4 | -171.2 | 179.2 | 4.2 | 0 | 0 | 110.7 | P29 N30 R35 L36 L37 L110 L113 E114 | P29-Q33 WeakPolarHBondContact O-CB 3.27Å; P29-Q33 PolarHBondContact O-N 3.33Å; N30-Q33 PolarHBondContact O-N 2.89Å; Q33-R35 VanDerWaalsContact C-N 3.29Å; Q33-R35 PolarHBondContact O-N 3.29Å; Q33-L36 PolarHBondContact O-N 3.47Å; Q33-L37 HydrophobicContact CG-CD1 4.44Å; Q33-L37 WeakPolarHBondContact O-CG 3.36Å; Q33-L37 PolarHBondContact O-N 2.89Å; Q33-L110 HydrophobicContact CG-CD1 4.39Å; Q33-L113 HydrophobicContact CB-CD2 4.07Å; Q33-E114 PolarHBondContact NE2-OE1 3.5Å |
| 34 | E | 86.3 | Confident | 77.2 | Confident | 96 Ų | 96 | 86 Ų | 86 | 45% | 0.449 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 176.2 | -163.8 | -164.9 | 135.3 | 0 | 0 | 111.1 | N30 L36 L37 R38 | N30-E34 WeakPolarHBondContact O-CB 3.17Å; N30-E34 PolarHBondContact O-N 3.24Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 3.5Å; E34-L37 PolarHBondContact O-N 2.92Å; E34-R38 WeakPolarHBondContact O-CG 3.35Å; E34-R38 PolarHBondContact O-N 2.7Å; E34-R38 IonicContact OE1-CZ 2.79Å; E34-R38 IonicContact OE1-NE 3.47Å; E34-R38 PolarHBondContact OE1-NE 3.23Å; E34-R38 IonicContact OE1-NH2 2.74Å; E34-R38 PolarHBondContact OE1-NH2 3.19Å |
| 35 | R | 89.4 | Confident | 79.9 | Confident | 168 Ų | 168 | 86.9 Ų | 86.9 | 63% | 0.634 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.5 | -38.3 | 176.9 | -171.3 | -178.9 | -176.5 | -166.2 | 3.6 | 112.4 | D31 E32 Q33 K39 | D31-R35 WeakPolarHBondContact O-CB 3.4Å; D31-R35 PolarHBondContact O-N 2.89Å; D31-R35 VanDerWaalsContact O-N 3.1Å; E32-R35 WeakPolarHBondContact O-CB 3.27Å; E32-R35 PolarHBondContact O-N 3.44Å; Q33-R35 VanDerWaalsContact C-N 3.29Å; Q33-R35 PolarHBondContact O-N 3.29Å; R35-K39 VanDerWaalsContact O-CG 3.32Å; R35-K39 WeakPolarHBondContact O-CG 3.38Å; R35-K39 PolarHBondContact O-N 2.95Å; R35-K39 VanDerWaalsContact O-N 3.17Å |
| 36 | L | 90.8 | Very high | 82.4 | Confident | 24 Ų | 24 | 84 Ų | 84 | 13% | 0.126 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.8 | -44.6 | 175.2 | -82 | 167 | 0 | 0 | 0 | 111.5 | E32 Q33 E34 R38 K39 I40 Y106 L110 L113 | E32-L36 PolarHBondContact O-N 3.22Å; Q33-L36 PolarHBondContact O-N 3.47Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 3.5Å; L36-R38 VanDerWaalsContact C-N 3.35Å; L36-R38 PolarHBondContact O-N 2.93Å; L36-K39 WeakPolarHBondContact O-CB 3.5Å; L36-K39 PolarHBondContact O-N 3.09Å; L36-I40 WeakPolarHBondContact O-CG1 3.47Å; L36-I40 PolarHBondContact O-N 3.43Å; L36-Y106 HydrophobicContact CD2-CD1 4.1Å; L36-L110 HydrophobicContact CB-CD1 3.95Å; L36-L110 HydrophobicContact CD1-CB 4.32Å; L36-L113 HydrophobicContact CD1-CD2 4.18Å |
| 37 | L | 89.3 | Confident | 85 | Confident | 90 Ų | 90 | 81 Ų | 81 | 47% | 0.471 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56.9 | -47 | 176.1 | -72.5 | 173.1 | 0 | 0 | 0 | 111.7 | Q33 E34 K39 I40 E41 L110 | Q33-L37 HydrophobicContact CG-CD1 4.44Å; Q33-L37 WeakPolarHBondContact O-CG 3.36Å; Q33-L37 PolarHBondContact O-N 2.89Å; E34-L37 PolarHBondContact O-N 2.92Å; L37-K39 VanDerWaalsContact C-N 3.32Å; L37-K39 PolarHBondContact O-N 3.46Å; L37-I40 PolarHBondContact O-N 2.79Å; L37-E41 PolarHBondContact O-N 3.11Å; L37-L110 HydrophobicContact CD2-CD1 3.54Å; L37-L110 HydrophobicContact CG-CD1 3.72Å |
| 38 | R | 92.1 | Very high | 87.2 | Confident | 149 Ų | 149 | 84 Ų | 84 | 56% | 0.562 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.1 | -38.8 | 174.5 | -69.1 | -151.4 | -138.2 | -167.7 | 5.1 | 112.9 | E34 L36 E41 I42 | E34-R38 WeakPolarHBondContact O-CG 3.35Å; E34-R38 PolarHBondContact O-N 2.7Å; E34-R38 IonicContact OE1-CZ 2.79Å; E34-R38 IonicContact OE1-NE 3.47Å; E34-R38 PolarHBondContact OE1-NE 3.23Å; E34-R38 IonicContact OE1-NH2 2.74Å; E34-R38 PolarHBondContact OE1-NH2 3.19Å; L36-R38 VanDerWaalsContact C-N 3.35Å; L36-R38 PolarHBondContact O-N 2.93Å; R38-E41 PolarHBondContact O-N 3.41Å; R38-I42 WeakPolarHBondContact O-CB 3.37Å; R38-I42 WeakPolarHBondContact O-CD1 3.42Å; R38-I42 WeakPolarHBondContact O-CG1 3.49Å; R38-I42 PolarHBondContact O-N 2.94Å |
| 39 | K | 93.3 | Very high | 89.3 | Confident | 70 Ų | 70 | 81.6 Ų | 81.6 | 30% | 0.304 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 176.6 | -76.5 | 172.8 | -179.2 | 177.5 | 0 | 111.8 | R35 L36 L37 I42 V43 Y106 | R35-K39 VanDerWaalsContact O-CG 3.32Å; R35-K39 WeakPolarHBondContact O-CG 3.38Å; R35-K39 PolarHBondContact O-N 2.95Å; R35-K39 VanDerWaalsContact O-N 3.17Å; L36-K39 WeakPolarHBondContact O-CB 3.5Å; L36-K39 PolarHBondContact O-N 3.09Å; L37-K39 VanDerWaalsContact C-N 3.32Å; L37-K39 PolarHBondContact O-N 3.46Å; K39-I42 PolarHBondContact O-N 2.95Å; K39-V43 WeakPolarHBondContact O-CG2 3.49Å; K39-V43 PolarHBondContact O-N 2.9Å; K39-Y106 HydrophobicContact CB-CD2 4.03Å; K39-Y106 HydrophobicContact CB-CE2 3.95Å; K39-Y106 HydrophobicContact CB-CG 4.46Å; K39-Y106 HydrophobicContact CD-CE1 4.14Å |
| 40 | I | 92.2 | Very high | 91 | Very high | 31 Ų | 31 | 78.5 Ų | 78.5 | 16% | 0.159 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 176.6 | -69.2 | 168 | 0 | 0 | 0 | 109.8 | L36 L37 I42 V43 G44 Q107 L110 | L36-I40 WeakPolarHBondContact O-CG1 3.47Å; L36-I40 PolarHBondContact O-N 3.43Å; L37-I40 PolarHBondContact O-N 2.79Å; I40-I42 PolarHBondContact O-N 3.02Å; I40-V43 PolarHBondContact O-N 3.09Å; I40-G44 PolarHBondContact O-N 2.79Å; I40-Q107 HydrophobicContact CD1-CG 4.07Å; I40-L110 HydrophobicContact CD1-CD1 4.09Å |
| 41 | E | 93.3 | Very high | 92.1 | Very high | 132 Ų | 132 | 76 Ų | 76 | 62% | 0.617 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -57.5 | -50 | 176.7 | -175.3 | 179.1 | -159.1 | 0 | 0 | 111.5 | L37 R38 V43 G44 E45 | L37-E41 PolarHBondContact O-N 3.11Å; R38-E41 PolarHBondContact O-N 3.41Å; E41-V43 VanDerWaalsContact C-N 3.32Å; E41-V43 PolarHBondContact O-N 3.32Å; E41-G44 PolarHBondContact O-N 3.23Å; E41-G44 VanDerWaalsContact O-N 3.13Å; E41-E45 PolarHBondContact O-N 3.31Å |
| 42 | I | 94.7 | Very high | 92.7 | Very high | 90 Ų | 90 | 79.8 Ų | 79.8 | 46% | 0.462 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 178.5 | -68.7 | 164.7 | 0 | 0 | 0 | 111.7 | R38 K39 I40 K46 | R38-I42 WeakPolarHBondContact O-CB 3.37Å; R38-I42 WeakPolarHBondContact O-CD1 3.42Å; R38-I42 WeakPolarHBondContact O-CG1 3.49Å; R38-I42 PolarHBondContact O-N 2.94Å; K39-I42 PolarHBondContact O-N 2.95Å; I40-I42 PolarHBondContact O-N 3.02Å; I42-K46 HydrophobicContact CG2-CD 4.31Å; I42-K46 VanDerWaalsContact O-CG 3.29Å; I42-K46 WeakPolarHBondContact O-CG 3.47Å; I42-K46 PolarHBondContact O-N 2.8Å; I42-K46 VanDerWaalsContact O-N 3.1Å |
| 43 | V | 96.4 | Very high | 93.1 | Very high | 10 Ų | 10 | 78.3 Ų | 78.3 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.3 | -38.8 | 176.7 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | K39 I40 E41 E45 K46 I47 L99 L103 Y106 | K39-V43 WeakPolarHBondContact O-CG2 3.49Å; K39-V43 PolarHBondContact O-N 2.9Å; I40-V43 PolarHBondContact O-N 3.09Å; E41-V43 VanDerWaalsContact C-N 3.32Å; E41-V43 PolarHBondContact O-N 3.32Å; V43-E45 PolarHBondContact O-N 3.42Å; V43-K46 WeakPolarHBondContact O-CB 3.49Å; V43-K46 PolarHBondContact O-N 3.38Å; V43-I47 HydrophobicContact CG1-CD1 4.03Å; V43-I47 HydrophobicContact CG1-CG1 4.42Å; V43-I47 WeakPolarHBondContact O-CG1 3.26Å; V43-I47 PolarHBondContact O-N 3.43Å; V43-L99 HydrophobicContact CG1-CB 4.39Å; V43-L99 WeakPolarHBondContact CG1-O 3.42Å; V43-L103 HydrophobicContact CG1-CB 3.87Å; V43-L103 HydrophobicContact CG1-CD1 4.31Å; V43-Y106 HydrophobicContact CG2-CD2 4.15Å; V43-Y106 HydrophobicContact CG2-CE2 3.71Å |
| 44 | G | 95.1 | Very high | 93.5 | Very high | 18 Ų | 18 | 78.7 Ų | 78.7 | 19% | 0.186 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.6 | -47.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I40 E41 K46 I47 K48 | I40-G44 PolarHBondContact O-N 2.79Å; E41-G44 PolarHBondContact O-N 3.23Å; E41-G44 VanDerWaalsContact O-N 3.13Å; G44-K46 VanDerWaalsContact C-N 3.35Å; G44-K46 PolarHBondContact O-N 2.82Å; G44-I47 PolarHBondContact O-N 2.93Å; G44-K48 WeakPolarHBondContact O-CG 3.3Å; G44-K48 PolarHBondContact O-N 2.98Å |
| 45 | E | 95.7 | Very high | 93.9 | Very high | 99 Ų | 99 | 79.4 Ų | 79.4 | 46% | 0.463 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 174.9 | -71 | -56.6 | 122.3 | 0 | 0 | 112.3 | E41 V43 I47 K48 A49 | E41-E45 PolarHBondContact O-N 3.31Å; V43-E45 PolarHBondContact O-N 3.42Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 3.05Å; E45-K48 PolarHBondContact O-N 3.01Å; E45-K48 IonicContact OE1-NZ 3.26Å; E45-K48 PolarHBondContact OE1-NZ 2.89Å; E45-A49 WeakPolarHBondContact O-CB 3.44Å; E45-A49 PolarHBondContact O-N 3.4Å |
| 46 | K | 95.9 | Very high | 94.1 | Very high | 119 Ų | 119 | 74.1 Ų | 74.1 | 52% | 0.517 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 174 | -74.5 | 173.7 | -177.8 | -179.3 | 0 | 112.9 | I42 V43 G44 A50 L99 | I42-K46 HydrophobicContact CG2-CD 4.31Å; I42-K46 VanDerWaalsContact O-CG 3.29Å; I42-K46 WeakPolarHBondContact O-CG 3.47Å; I42-K46 PolarHBondContact O-N 2.8Å; I42-K46 VanDerWaalsContact O-N 3.1Å; V43-K46 WeakPolarHBondContact O-CB 3.49Å; V43-K46 PolarHBondContact O-N 3.38Å; G44-K46 VanDerWaalsContact C-N 3.35Å; G44-K46 PolarHBondContact O-N 2.82Å; K46-A50 WeakPolarHBondContact O-CB 3.41Å; K46-A50 PolarHBondContact O-N 2.91Å; K46-L99 HydrophobicContact CB-CD1 4.08Å; K46-L99 HydrophobicContact CB-CD2 4.33Å |
| 47 | I | 95.7 | Very high | 94.2 | Very high | 25 Ų | 25 | 74.8 Ų | 74.8 | 13% | 0.128 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.2 | -48 | 175.9 | -68.6 | 167.6 | 0 | 0 | 0 | 109.9 | V43 G44 E45 A49 A50 V51 L99 Q100 L103 | V43-I47 HydrophobicContact CG1-CD1 4.03Å; V43-I47 HydrophobicContact CG1-CG1 4.42Å; V43-I47 WeakPolarHBondContact O-CG1 3.26Å; V43-I47 PolarHBondContact O-N 3.43Å; G44-I47 PolarHBondContact O-N 2.93Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 3.05Å; I47-A49 VanDerWaalsContact C-N 3.31Å; I47-A49 PolarHBondContact O-N 3.47Å; I47-A50 PolarHBondContact O-N 2.99Å; I47-A50 VanDerWaalsContact O-N 3.12Å; I47-V51 HydrophobicContact CG2-CG2 4.28Å; I47-V51 WeakPolarHBondContact O-CG2 3.37Å; I47-V51 PolarHBondContact O-N 3.2Å; I47-L99 HydrophobicContact CD1-CB 4.04Å; I47-L99 HydrophobicContact CG1-CB 3.51Å; I47-L99 HydrophobicContact CG1-CD1 4.12Å; I47-L99 HydrophobicContact CG1-CG 4.44Å; I47-Q100 HydrophobicContact CD1-CG 4.13Å; I47-L103 HydrophobicContact CD1-CB 4.31Å; I47-L103 HydrophobicContact CD1-CD1 3.87Å |
| 48 | K | 95.6 | Very high | 94.4 | Very high | 133 Ų | 133 | 72.8 Ų | 72.8 | 58% | 0.578 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -56.1 | -46.7 | 176.8 | -69.2 | 176.5 | -170.3 | 167.6 | 0 | 111.4 | G44 E45 A50 V51 K52 | G44-K48 WeakPolarHBondContact O-CG 3.3Å; G44-K48 PolarHBondContact O-N 2.98Å; E45-K48 PolarHBondContact O-N 3.01Å; E45-K48 IonicContact OE1-NZ 3.26Å; E45-K48 PolarHBondContact OE1-NZ 2.89Å; K48-A50 VanDerWaalsContact C-N 3.35Å; K48-A50 PolarHBondContact O-N 2.86Å; K48-V51 PolarHBondContact O-N 3.46Å; K48-K52 WeakPolarHBondContact O-CB 3.26Å; K48-K52 PolarHBondContact O-N 3.48Å |
| 49 | A | 96.2 | Very high | 94.5 | Very high | 61 Ų | 61 | 70.7 Ų | 70.7 | 50% | 0.504 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E45 I47 K52 A53 | E45-A49 WeakPolarHBondContact O-CB 3.44Å; E45-A49 PolarHBondContact O-N 3.4Å; I47-A49 VanDerWaalsContact C-N 3.31Å; I47-A49 PolarHBondContact O-N 3.47Å; A49-K52 PolarHBondContact O-N 2.89Å; A49-A53 WeakPolarHBondContact O-CB 3.45Å; A49-A53 PolarHBondContact O-N 2.96Å |
| 50 | A | 94.9 | Very high | 94.3 | Very high | 10 Ų | 10 | 71 Ų | 71 | 8% | 0.083 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.9 | -38.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | K46 I47 K48 A53 K54 L95 I96 L99 | K46-A50 WeakPolarHBondContact O-CB 3.41Å; K46-A50 PolarHBondContact O-N 2.91Å; I47-A50 PolarHBondContact O-N 2.99Å; I47-A50 VanDerWaalsContact O-N 3.12Å; K48-A50 VanDerWaalsContact C-N 3.35Å; K48-A50 PolarHBondContact O-N 2.86Å; A50-A53 PolarHBondContact O-N 3.25Å; A50-K54 PolarHBondContact O-N 2.88Å; A50-L95 HydrophobicContact CB-CD2 4.32Å; A50-I96 HydrophobicContact CB-CG1 3.9Å; A50-L99 HydrophobicContact CB-CD1 4.44Å |
| 51 | V | 95.1 | Very high | 94.4 | Very high | 53 Ų | 53 | 71.2 Ų | 71.2 | 32% | 0.321 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 174.1 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | I47 K48 A53 K54 E55 I96 | I47-V51 HydrophobicContact CG2-CG2 4.28Å; I47-V51 WeakPolarHBondContact O-CG2 3.37Å; I47-V51 PolarHBondContact O-N 3.2Å; K48-V51 PolarHBondContact O-N 3.46Å; V51-A53 VanDerWaalsContact C-N 3.3Å; V51-A53 PolarHBondContact O-N 3.13Å; V51-K54 WeakPolarHBondContact O-CA 3.33Å; V51-K54 VanDerWaalsContact O-CB 3.25Å; V51-K54 WeakPolarHBondContact O-CB 3.49Å; V51-K54 PolarHBondContact O-N 3.31Å; V51-E55 WeakPolarHBondContact O-CG 3.35Å; V51-E55 PolarHBondContact O-N 2.8Å; V51-I96 HydrophobicContact CG2-CD1 4.04Å |
| 52 | K | 94.9 | Very high | 94.2 | Very high | 154 Ų | 154 | 69.6 Ų | 69.6 | 67% | 0.67 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.9 | -39.3 | 175.9 | -172.4 | 175.2 | -178.1 | 176.4 | 0 | 112.6 | K48 A49 K54 E55 A56 | K48-K52 WeakPolarHBondContact O-CB 3.26Å; K48-K52 PolarHBondContact O-N 3.48Å; A49-K52 PolarHBondContact O-N 2.89Å; K52-K54 VanDerWaalsContact C-N 3.32Å; K52-E55 PolarHBondContact O-N 2.68Å; K52-A56 PolarHBondContact O-N 3.39Å |
| 53 | A | 94.4 | Very high | 94 | Very high | 54 Ų | 54 | 72.9 Ų | 72.9 | 45% | 0.446 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A49 A50 V51 A56 D57 | A49-A53 WeakPolarHBondContact O-CB 3.45Å; A49-A53 PolarHBondContact O-N 2.96Å; A50-A53 PolarHBondContact O-N 3.25Å; V51-A53 VanDerWaalsContact C-N 3.3Å; V51-A53 PolarHBondContact O-N 3.13Å; A53-A56 PolarHBondContact O-N 3.24Å; A53-D57 PolarHBondContact O-N 3.38Å |
| 54 | K | 92 | Very high | 93.5 | Very high | 66 Ų | 66 | 74.8 Ų | 74.8 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 175 | -168.8 | -173 | 174.9 | -174.2 | 0 | 111.7 | A50 V51 K52 A56 D57 V58 N89 S92 I96 | A50-K54 PolarHBondContact O-N 2.88Å; V51-K54 WeakPolarHBondContact O-CA 3.33Å; V51-K54 VanDerWaalsContact O-CB 3.25Å; V51-K54 WeakPolarHBondContact O-CB 3.49Å; V51-K54 PolarHBondContact O-N 3.31Å; K52-K54 VanDerWaalsContact C-N 3.32Å; K54-A56 VanDerWaalsContact C-N 3.35Å; K54-D57 WeakPolarHBondContact O-CB 3.42Å; K54-D57 PolarHBondContact O-N 2.87Å; K54-V58 WeakPolarHBondContact O-CG2 3.29Å; K54-V58 PolarHBondContact O-N 3.38Å; K54-N89 WeakPolarHBondContact CE-OD1 3.33Å; K54-S92 WeakPolarHBondContact CB-OG 3.35Å; K54-I96 HydrophobicContact CD-CD1 4.09Å |
| 55 | E | 94.2 | Very high | 93.1 | Very high | 111 Ų | 111 | 75.9 Ų | 75.9 | 52% | 0.519 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 176.5 | -70.6 | 166.8 | 175.6 | 0 | 0 | 110.7 | V51 K52 D57 V58 D59 | V51-E55 WeakPolarHBondContact O-CG 3.35Å; V51-E55 PolarHBondContact O-N 2.8Å; K52-E55 PolarHBondContact O-N 2.68Å; E55-D57 VanDerWaalsContact C-N 3.31Å; E55-D57 PolarHBondContact O-N 3.49Å; E55-V58 WeakPolarHBondContact O-CA 3.29Å; E55-V58 WeakPolarHBondContact O-CB 3.31Å; E55-V58 PolarHBondContact O-N 2.88Å; E55-D59 PolarHBondContact O-N 2.7Å |
| 56 | A | 94.8 | Very high | 92.5 | Very high | 57 Ų | 57 | 74.5 Ų | 74.5 | 47% | 0.471 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.6 | -38.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | K52 A53 K54 V58 D59 E60 | K52-A56 PolarHBondContact O-N 3.39Å; A53-A56 PolarHBondContact O-N 3.24Å; K54-A56 VanDerWaalsContact C-N 3.35Å; A56-V58 VanDerWaalsContact C-N 3.33Å; A56-D59 PolarHBondContact O-N 3.32Å; A56-E60 WeakPolarHBondContact O-CB 3.41Å; A56-E60 PolarHBondContact O-N 3.13Å |
| 57 | D | 92 | Very high | 91.9 | Very high | 39 Ų | 39 | 74.2 Ų | 74.2 | 21% | 0.209 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.5 | -34.2 | 174.3 | -81.4 | -29.1 | 0 | 0 | 0 | 112.4 | A53 K54 E55 F61 K88 | A53-D57 PolarHBondContact O-N 3.38Å; K54-D57 WeakPolarHBondContact O-CB 3.42Å; K54-D57 PolarHBondContact O-N 2.87Å; E55-D57 VanDerWaalsContact C-N 3.31Å; E55-D57 PolarHBondContact O-N 3.49Å; D57-F61 WeakPolarHBondContact O-CB 3.24Å; D57-F61 PolarHBondContact O-N 2.92Å; D57-F61 VanDerWaalsContact O-N 3.08Å; D57-K88 WeakPolarHBondContact OD1-CD 3.06Å; D57-K88 IonicContact OD1-NZ 2.85Å; D57-K88 PolarHBondContact OD1-NZ 3.3Å |
| 58 | V | 94.5 | Very high | 91.1 | Very high | 47 Ų | 47 | 74 Ų | 74 | 29% | 0.285 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.2 | -45.7 | 174.7 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | K54 E55 A56 E60 F61 L62 F85 | K54-V58 WeakPolarHBondContact O-CG2 3.29Å; K54-V58 PolarHBondContact O-N 3.38Å; E55-V58 WeakPolarHBondContact O-CA 3.29Å; E55-V58 WeakPolarHBondContact O-CB 3.31Å; E55-V58 PolarHBondContact O-N 2.88Å; A56-V58 VanDerWaalsContact C-N 3.33Å; V58-E60 VanDerWaalsContact C-N 3.33Å; V58-E60 PolarHBondContact O-N 2.98Å; V58-F61 WeakPolarHBondContact O-CB 3.44Å; V58-F61 PolarHBondContact O-N 2.86Å; V58-F61 VanDerWaalsContact O-N 3.15Å; V58-L62 HydrophobicContact CG1-CD1 4.1Å; V58-L62 HydrophobicContact CG1-CG 4.36Å; V58-L62 WeakPolarHBondContact O-CG 3.39Å; V58-L62 PolarHBondContact O-N 3.43Å; V58-F85 HydrophobicContact CB-CE2 4.36Å; V58-F85 HydrophobicContact CG2-CE2 3.76Å; V58-F85 HydrophobicContact CG2-CZ 3.94Å |
| 59 | D | 92.7 | Very high | 89.9 | Confident | 106 Ų | 106 | 72.6 Ų | 72.6 | 57% | 0.567 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.8 | -41.7 | 177.2 | -70.1 | -21.2 | 0 | 0 | 0 | 111.7 | E55 A56 F61 L62 R63 | E55-D59 PolarHBondContact O-N 2.7Å; A56-D59 PolarHBondContact O-N 3.32Å; D59-F61 VanDerWaalsContact C-N 3.32Å; D59-F61 PolarHBondContact O-N 3.35Å; D59-L62 PolarHBondContact O-N 2.89Å; D59-R63 WeakPolarHBondContact O-CB 3.4Å; D59-R63 PolarHBondContact O-N 3.44Å |
| 60 | E | 90.9 | Very high | 88.8 | Confident | 75 Ų | 75 | 73.5 Ų | 73.5 | 35% | 0.35 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 174.3 | -162.7 | -165.9 | 179.1 | 0 | 0 | 111 | A56 V58 R63 M64 K88 | A56-E60 WeakPolarHBondContact O-CB 3.41Å; A56-E60 PolarHBondContact O-N 3.13Å; V58-E60 VanDerWaalsContact C-N 3.33Å; V58-E60 PolarHBondContact O-N 2.98Å; E60-R63 PolarHBondContact O-N 3.34Å; E60-M64 HydrophobicContact CB-CE 4.41Å; E60-M64 HydrophobicContact CG-CE 3.77Å; E60-M64 WeakPolarHBondContact O-CB 3.31Å; E60-M64 WeakPolarHBondContact O-CG 3.49Å; E60-M64 PolarHBondContact O-N 3.19Å; E60-K88 IonicContact OE2-NZ 2.88Å; E60-K88 PolarHBondContact OE2-NZ 3.43Å |
| 61 | F | 92.5 | Very high | 87.8 | Confident | 36 Ų | 36 | 79.3 Ų | 79.3 | 16% | 0.158 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 176.5 | 173.9 | -101.5 | 0 | 0 | 0 | 112.6 | D57 V58 D59 M64 S65 I81 R82 F85 | D57-F61 WeakPolarHBondContact O-CB 3.24Å; D57-F61 PolarHBondContact O-N 2.92Å; D57-F61 VanDerWaalsContact O-N 3.08Å; V58-F61 WeakPolarHBondContact O-CB 3.44Å; V58-F61 PolarHBondContact O-N 2.86Å; V58-F61 VanDerWaalsContact O-N 3.15Å; D59-F61 VanDerWaalsContact C-N 3.32Å; D59-F61 PolarHBondContact O-N 3.35Å; F61-M64 PolarHBondContact O-N 2.92Å; F61-S65 WeakPolarHBondContact CZ-OG 3.29Å; F61-S65 VanDerWaalsContact O-CB 3.25Å; F61-S65 WeakPolarHBondContact O-CB 3.34Å; F61-S65 PolarHBondContact O-N 3.39Å; F61-S65 PolarHBondContact O-OG 2.86Å; F61-I81 HydrophobicContact CD2-CG2 3.8Å; F61-I81 HydrophobicContact CE2-CG2 3.97Å; F61-R82 HydrophobicContact CE2-CG 3.89Å; F61-R82 HydrophobicContact CZ-CG 3.97Å; F61-F85 HydrophobicContact CB-CB 4.21Å; F61-F85 HydrophobicContact CB-CD2 3.49Å; F61-F85 VanDerWaalsContact CB-CD2 3.49Å; F61-F85 HydrophobicContact CB-CE2 4.03Å; F61-F85 HydrophobicContact CB-CG 3.9Å; F61-F85 HydrophobicContact CD1-CD1 4.27Å; F61-F85 HydrophobicContact CD1-CD2 4.37Å; F61-F85 HydrophobicContact CD1-CE1 4.45Å; F61-F85 HydrophobicContact CD1-CG 4.23Å; F61-F85 HydrophobicContact CD2-CB 3.41Å; F61-F85 VanDerWaalsContact CD2-CB 3.41Å; F61-F85 HydrophobicContact CD2-CD1 4.16Å; F61-F85 HydrophobicContact CD2-CD2 4.18Å; F61-F85 AromaticContact CD2-CG 3.65Å; F61-F85 HydrophobicContact CD2-CG 3.65Å; F61-F85 HydrophobicContact CE1-CD1 4.46Å; F61-F85 HydrophobicContact CE2-CB 3.96Å; F61-F85 HydrophobicContact CE2-CD1 4.35Å; F61-F85 HydrophobicContact CE2-CG 4.24Å; F61-F85 HydrophobicContact CG-CB 3.91Å; F61-F85 HydrophobicContact CG-CD1 4.11Å; F61-F85 AromaticContact CG-CD2 3.76Å; F61-F85 HydrophobicContact CG-CD2 3.76Å; F61-F85 HydrophobicContact CG-CE2 4.32Å; F61-F85 AromaticContact CG-CG 3.64Å; F61-F85 HydrophobicContact CG-CG 3.64Å; F61-F85 HydrophobicContact CZ-CD1 4.49Å |
| 62 | L | 89.9 | Confident | 86.7 | Confident | 99 Ų | 99 | 81.2 Ų | 81.2 | 52% | 0.518 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 177.4 | -70.1 | 176.3 | 0 | 0 | 0 | 111.1 | V58 D59 S65 A66 | V58-L62 HydrophobicContact CG1-CD1 4.1Å; V58-L62 HydrophobicContact CG1-CG 4.36Å; V58-L62 WeakPolarHBondContact O-CG 3.39Å; V58-L62 PolarHBondContact O-N 3.43Å; D59-L62 PolarHBondContact O-N 2.89Å; L62-S65 PolarHBondContact O-N 3.39Å; L62-A66 WeakPolarHBondContact O-CB 3.48Å; L62-A66 PolarHBondContact O-N 3.19Å |
| 63 | R | 89.8 | Confident | 85.4 | Confident | 158 Ų | 158 | 79.2 Ų | 79.2 | 60% | 0.596 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.3 | -45.7 | 175.8 | -170.3 | -176.1 | 72.3 | 106.3 | 0.4 | 111.9 | D59 E60 N67 | D59-R63 WeakPolarHBondContact O-CB 3.4Å; D59-R63 PolarHBondContact O-N 3.44Å; E60-R63 PolarHBondContact O-N 3.34Å; R63-N67 VanDerWaalsContact O-CG 3.31Å; R63-N67 PolarHBondContact O-N 3.3Å; R63-N67 PolarHBondContact O-ND2 2.97Å |
| 64 | M | 86.7 | Confident | 83.9 | Confident | 51 Ų | 51 | 84.3 Ų | 84.3 | 25% | 0.251 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 174.4 | -74.8 | -170.9 | -82.3 | 0 | 0 | 111 | E60 F61 A66 N67 L68 I81 | E60-M64 HydrophobicContact CB-CE 4.41Å; E60-M64 HydrophobicContact CG-CE 3.77Å; E60-M64 WeakPolarHBondContact O-CB 3.31Å; E60-M64 WeakPolarHBondContact O-CG 3.49Å; E60-M64 PolarHBondContact O-N 3.19Å; F61-M64 PolarHBondContact O-N 2.92Å; M64-A66 PolarHBondContact O-N 3.38Å; M64-N67 PolarHBondContact O-N 3.44Å; M64-L68 WeakPolarHBondContact O-CD1 3.33Å; M64-L68 PolarHBondContact O-N 3.39Å; M64-I81 HydrophobicContact CB-CD1 4.28Å; M64-I81 HydrophobicContact CB-CG2 4Å; M64-I81 HydrophobicContact CE-CG2 4.17Å; M64-I81 HydrophobicContact SD-CD1 4.42Å; M64-I81 HydrophobicContact SD-CG1 4.2Å; M64-I81 HydrophobicContact SD-CG2 4.08Å |
| 65 | S | 86.3 | Confident | 83.3 | Confident | 41 Ų | 41 | 82 Ų | 82 | 29% | 0.287 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | -178.6 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | F61 L62 N67 L68 S69 | F61-S65 WeakPolarHBondContact CZ-OG 3.29Å; F61-S65 VanDerWaalsContact O-CB 3.25Å; F61-S65 WeakPolarHBondContact O-CB 3.34Å; F61-S65 PolarHBondContact O-N 3.39Å; F61-S65 PolarHBondContact O-OG 2.86Å; L62-S65 PolarHBondContact O-N 3.39Å; S65-N67 VanDerWaalsContact C-N 3.34Å; S65-N67 PolarHBondContact O-N 3.2Å; S65-L68 CarbonylContact O-C 3.58Å; S65-L68 PolarHBondContact O-N 2.92Å; S65-L68 VanDerWaalsContact O-N 3.08Å; S65-S69 PolarHBondContact O-N 3.02Å |
| 66 | A | 83.3 | Confident | 82.7 | Confident | 69 Ų | 69 | 81.6 Ų | 81.6 | 57% | 0.57 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.6 | -43.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L62 M64 L68 S69 | L62-A66 WeakPolarHBondContact O-CB 3.48Å; L62-A66 PolarHBondContact O-N 3.19Å; M64-A66 PolarHBondContact O-N 3.38Å; A66-L68 PolarHBondContact O-N 3.04Å; A66-S69 WeakPolarHBondContact O-CB 3.5Å; A66-S69 PolarHBondContact O-N 3.18Å |
| 67 | N | 82.6 | Confident | 82.2 | Confident | 113 Ų | 113 | 84.1 Ų | 84.1 | 60% | 0.604 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.5 | -22.8 | 176 | -67.4 | -17 | 0 | 0 | 0 | 113.1 | R63 M64 S65 | R63-N67 VanDerWaalsContact O-CG 3.31Å; R63-N67 PolarHBondContact O-N 3.3Å; R63-N67 PolarHBondContact O-ND2 2.97Å; M64-N67 PolarHBondContact O-N 3.44Å; S65-N67 VanDerWaalsContact C-N 3.34Å; S65-N67 PolarHBondContact O-N 3.2Å |
| 68 | L | 80.6 | Confident | 81.8 | Confident | 22 Ų | 22 | 83.4 Ų | 83.4 | 12% | 0.115 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 3.1 | 177.3 | -77.9 | 97.6 | 0 | 0 | 0 | 114.3 | M64 S65 A66 G70 Y71 Q77 V78 I81 | M64-L68 WeakPolarHBondContact O-CD1 3.33Å; M64-L68 PolarHBondContact O-N 3.39Å; S65-L68 CarbonylContact O-C 3.58Å; S65-L68 PolarHBondContact O-N 2.92Å; S65-L68 VanDerWaalsContact O-N 3.08Å; A66-L68 PolarHBondContact O-N 3.04Å; L68-G70 PolarHBondContact O-N 3.03Å; L68-G70 VanDerWaalsContact O-N 3.1Å; L68-Y71 HydrophobicContact CB-CD2 4.4Å; L68-Y71 HydrophobicContact CG-CD2 4.39Å; L68-Y71 WeakPolarHBondContact O-CB 3.47Å; L68-Y71 PolarHBondContact O-N 2.77Å; L68-Q77 HydrophobicContact CD2-CB 3.65Å; L68-V78 HydrophobicContact CB-CG2 3.92Å; L68-V78 HydrophobicContact CD2-CB 4.39Å; L68-V78 HydrophobicContact CD2-CG2 3.46Å; L68-V78 VanDerWaalsContact CD2-CG2 3.46Å; L68-V78 HydrophobicContact CG-CG2 4.33Å; L68-I81 HydrophobicContact CD1-CD1 3.47Å; L68-I81 VanDerWaalsContact CD1-CD1 3.47Å; L68-I81 HydrophobicContact CD2-CD1 3.95Å; L68-I81 HydrophobicContact CG-CD1 4.37Å |
| 69 | S | 70.4 | Confident | 81.4 | Confident | 102 Ų | 102 | 87 Ų | 87 | 71% | 0.713 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -30.9 | -175.2 | -177.3 | 0 | 0 | 0 | 0 | 113.7 | S65 A66 Y71 | S65-S69 PolarHBondContact O-N 3.02Å; A66-S69 WeakPolarHBondContact O-CB 3.5Å; A66-S69 PolarHBondContact O-N 3.18Å; S69-Y71 VanDerWaalsContact C-N 3.35Å |
| 70 | G | 73.1 | Confident | 81.2 | Confident | 80 Ų | 80 | 90.7 Ų | 90.7 | 83% | 0.825 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L68 | L68-G70 PolarHBondContact O-N 3.03Å; L68-G70 VanDerWaalsContact O-N 3.1Å |
| 71 | Y | 73.6 | Confident | 81.1 | Confident | 133 Ų | 133 | 88.4 Ų | 88.4 | 52% | 0.522 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -86.9 | 147.6 | 179.5 | -75.8 | -99.3 | 0 | 0 | 0 | 110.9 | L68 S69 L73 | L68-Y71 HydrophobicContact CB-CD2 4.4Å; L68-Y71 HydrophobicContact CG-CD2 4.39Å; L68-Y71 WeakPolarHBondContact O-CB 3.47Å; L68-Y71 PolarHBondContact O-N 2.77Å; S69-Y71 VanDerWaalsContact C-N 3.35Å; Y71-L73 PolarHBondContact O-N 3.04Å |
| 72 | P | 72.3 | Confident | 80.8 | Confident | 92 Ų | 92 | 91.5 Ų | 91.5 | 60% | 0.597 | 49% | 0.485 | S | S | * | . | trans | -52 | 140.1 | 174.5 | -24 | 32.3 | 0 | 0 | 0 | 111.1 | H74 S75 | P72-H74 PolarHBondContact O-N 2.88Å; P72-S75 WeakPolarHBondContact O-CA 3.42Å; P72-S75 WeakPolarHBondContact O-CB 3.34Å; P72-S75 PolarHBondContact O-N 2.93Å | ||
| 73 | L | 66.5 | Low | 80.9 | Confident | 113 Ų | 113 | 92.8 Ų | 92.8 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -30.1 | -180 | -174.6 | 66.5 | 0 | 0 | 0 | 112.9 | Y71 S75 R82 | Y71-L73 PolarHBondContact O-N 3.04Å; L73-S75 VanDerWaalsContact C-N 3.33Å; L73-R82 PolarHBondContact O-NH2 3.01Å |
| 74 | H | 64.1 | Low | 80.9 | Confident | 161 Ų | 161 | 90.7 Ų | 90.7 | 75% | 0.745 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 10 | 177 | -59.6 | -70.8 | 0 | 0 | 0 | 114 | P72 | P72-H74 PolarHBondContact O-N 2.88Š|
| 75 | S | 78.2 | Confident | 81.3 | Confident | 16 Ų | 16 | 90.3 Ų | 90.3 | 11% | 0.112 | 49% | 0.488 | C | S | . | . | trans | -59.9 | 128 | 172.5 | 173.8 | 0 | 0 | 0 | 0 | 109 | P72 L73 Q77 V78 M79 | P72-S75 WeakPolarHBondContact O-CA 3.42Å; P72-S75 WeakPolarHBondContact O-CB 3.34Å; P72-S75 PolarHBondContact O-N 2.93Å; L73-S75 VanDerWaalsContact C-N 3.33Å; S75-Q77 PolarHBondContact O-N 3.27Å; S75-V78 PolarHBondContact O-N 3.43Å; S75-M79 PolarHBondContact O-N 3.18Å | ||
| 76 | P | 83.1 | Confident | 81.5 | Confident | 103 Ų | 103 | 93.2 Ų | 93.2 | 67% | 0.669 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.6 | -25.2 | -177.3 | 22.9 | -33.5 | 0 | 0 | 0 | 112.2 | R80 | P76-R80 WeakPolarHBondContact O-CB 3.33Å; P76-R80 PolarHBondContact O-N 3.08Å |
| 77 | Q | 83.5 | Confident | 82.1 | Confident | 110 Ų | 110 | 96.1 Ų | 96.1 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.8 | -47.5 | 175.5 | -59.8 | -174.8 | 9.7 | 0 | 0 | 112.1 | L68 S75 M79 R80 I81 | L68-Q77 HydrophobicContact CD2-CB 3.65Å; S75-Q77 PolarHBondContact O-N 3.27Å; Q77-M79 VanDerWaalsContact C-N 3.3Å; Q77-M79 PolarHBondContact O-N 2.99Å; Q77-R80 PolarHBondContact O-N 2.92Å; Q77-I81 VanDerWaalsContact O-CG1 3.31Å; Q77-I81 WeakPolarHBondContact O-CG1 3.49Å; Q77-I81 PolarHBondContact O-N 2.85Å |
| 78 | V | 83.7 | Confident | 82.6 | Confident | 25 Ų | 25 | 94.7 Ų | 94.7 | 15% | 0.152 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 178.1 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | L68 S75 I81 R82 | L68-V78 HydrophobicContact CB-CG2 3.92Å; L68-V78 HydrophobicContact CD2-CB 4.39Å; L68-V78 HydrophobicContact CD2-CG2 3.46Å; L68-V78 VanDerWaalsContact CD2-CG2 3.46Å; L68-V78 HydrophobicContact CG-CG2 4.33Å; S75-V78 PolarHBondContact O-N 3.43Å; V78-I81 PolarHBondContact O-N 3.1Å; V78-R82 PolarHBondContact O-N 2.68Å |
| 79 | M | 85.2 | Confident | 83.2 | Confident | 122 Ų | 122 | 95.8 Ų | 95.8 | 60% | 0.601 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.9 | -43.1 | 177.4 | -173.8 | 175.2 | -93.6 | 0 | 0 | 111.6 | S75 Q77 R82 L83 | S75-M79 PolarHBondContact O-N 3.18Å; Q77-M79 VanDerWaalsContact C-N 3.3Å; Q77-M79 PolarHBondContact O-N 2.99Å; M79-R82 PolarHBondContact O-N 3.5Å; M79-L83 WeakPolarHBondContact O-CB 3.31Å; M79-L83 PolarHBondContact O-N 3.23Å |
| 80 | R | 88.5 | Confident | 84.4 | Confident | 184 Ų | 184 | 97.2 Ų | 97.2 | 69% | 0.694 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.4 | -42.9 | 176.3 | -175.7 | -178.2 | -76 | 173.5 | -4.3 | 112.1 | P76 Q77 L83 M84 | P76-R80 WeakPolarHBondContact O-CB 3.33Å; P76-R80 PolarHBondContact O-N 3.08Å; Q77-R80 PolarHBondContact O-N 2.92Å; R80-L83 PolarHBondContact O-N 3.17Å; R80-M84 WeakPolarHBondContact O-CG 3.38Å; R80-M84 PolarHBondContact O-N 3.44Å |
| 81 | I | 88.6 | Confident | 85.4 | Confident | 27 Ų | 27 | 99.9 Ų | 99.9 | 14% | 0.138 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 178.2 | -69 | 162.6 | 0 | 0 | 0 | 110.6 | F61 M64 L68 Q77 V78 L83 M84 F85 | F61-I81 HydrophobicContact CD2-CG2 3.8Å; F61-I81 HydrophobicContact CE2-CG2 3.97Å; M64-I81 HydrophobicContact CB-CD1 4.28Å; M64-I81 HydrophobicContact CB-CG2 4Å; M64-I81 HydrophobicContact CE-CG2 4.17Å; M64-I81 HydrophobicContact SD-CD1 4.42Å; M64-I81 HydrophobicContact SD-CG1 4.2Å; M64-I81 HydrophobicContact SD-CG2 4.08Å; L68-I81 HydrophobicContact CD1-CD1 3.47Å; L68-I81 VanDerWaalsContact CD1-CD1 3.47Å; L68-I81 HydrophobicContact CD2-CD1 3.95Å; L68-I81 HydrophobicContact CG-CD1 4.37Å; Q77-I81 VanDerWaalsContact O-CG1 3.31Å; Q77-I81 WeakPolarHBondContact O-CG1 3.49Å; Q77-I81 PolarHBondContact O-N 2.85Å; V78-I81 PolarHBondContact O-N 3.1Å; I81-L83 PolarHBondContact O-N 2.96Å; I81-M84 PolarHBondContact O-N 3.41Å; I81-F85 PolarHBondContact O-N 3.46Å |
| 82 | R | 88.1 | Confident | 86.3 | Confident | 100 Ų | 100 | 94.3 Ų | 94.3 | 38% | 0.377 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 173.5 | -89.7 | -174.1 | -77.1 | -171.3 | -4.9 | 112.4 | F61 L73 V78 M79 M84 F85 N86 | F61-R82 HydrophobicContact CE2-CG 3.89Å; F61-R82 HydrophobicContact CZ-CG 3.97Å; L73-R82 PolarHBondContact O-NH2 3.01Å; V78-R82 PolarHBondContact O-N 2.68Å; M79-R82 PolarHBondContact O-N 3.5Å; R82-M84 PolarHBondContact O-N 3Å; R82-F85 PolarHBondContact O-N 2.94Å; R82-N86 WeakPolarHBondContact O-CB 3.23Å; R82-N86 PolarHBondContact O-N 3.49Å |
| 83 | L | 90.7 | Very high | 87.3 | Confident | 127 Ų | 127 | 92.2 Ų | 92.2 | 67% | 0.665 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.6 | -42.8 | 179.2 | -171.8 | 70.7 | 0 | 0 | 0 | 111.7 | M79 R80 I81 K87 | M79-L83 WeakPolarHBondContact O-CB 3.31Å; M79-L83 PolarHBondContact O-N 3.23Å; R80-L83 PolarHBondContact O-N 3.17Å; I81-L83 PolarHBondContact O-N 2.96Å; L83-K87 VanDerWaalsContact O-CB 3.32Å; L83-K87 WeakPolarHBondContact O-CB 3.38Å; L83-K87 PolarHBondContact O-N 3.33Å |
| 84 | M | 90.9 | Very high | 88.7 | Confident | 114 Ų | 114 | 92.3 Ų | 92.3 | 56% | 0.562 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.5 | -48.3 | 176.1 | -76.5 | -73.3 | -152.1 | 0 | 0 | 111.8 | R80 I81 R82 N86 K87 K88 | R80-M84 WeakPolarHBondContact O-CG 3.38Å; R80-M84 PolarHBondContact O-N 3.44Å; I81-M84 PolarHBondContact O-N 3.41Å; R82-M84 PolarHBondContact O-N 3Å; M84-N86 PolarHBondContact O-N 3.23Å; M84-K87 PolarHBondContact O-N 2.94Å; M84-K88 WeakPolarHBondContact O-CG 3.09Å; M84-K88 PolarHBondContact O-N 3.41Å |
| 85 | F | 93.7 | Very high | 90.2 | Very high | 43 Ų | 43 | 88.9 Ų | 88.9 | 19% | 0.189 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 177.2 | 172.1 | -104.6 | 0 | 0 | 0 | 111.4 | V58 F61 I81 R82 K87 K88 N89 | V58-F85 HydrophobicContact CB-CE2 4.36Å; V58-F85 HydrophobicContact CG2-CE2 3.76Å; V58-F85 HydrophobicContact CG2-CZ 3.94Å; F61-F85 HydrophobicContact CB-CB 4.21Å; F61-F85 HydrophobicContact CB-CD2 3.49Å; F61-F85 VanDerWaalsContact CB-CD2 3.49Å; F61-F85 HydrophobicContact CB-CE2 4.03Å; F61-F85 HydrophobicContact CB-CG 3.9Å; F61-F85 HydrophobicContact CD1-CD1 4.27Å; F61-F85 HydrophobicContact CD1-CD2 4.37Å; F61-F85 HydrophobicContact CD1-CE1 4.45Å; F61-F85 HydrophobicContact CD1-CG 4.23Å; F61-F85 HydrophobicContact CD2-CB 3.41Å; F61-F85 VanDerWaalsContact CD2-CB 3.41Å; F61-F85 HydrophobicContact CD2-CD1 4.16Å; F61-F85 HydrophobicContact CD2-CD2 4.18Å; F61-F85 AromaticContact CD2-CG 3.65Å; F61-F85 HydrophobicContact CD2-CG 3.65Å; F61-F85 HydrophobicContact CE1-CD1 4.46Å; F61-F85 HydrophobicContact CE2-CB 3.96Å; F61-F85 HydrophobicContact CE2-CD1 4.35Å; F61-F85 HydrophobicContact CE2-CG 4.24Å; F61-F85 HydrophobicContact CG-CB 3.91Å; F61-F85 HydrophobicContact CG-CD1 4.11Å; F61-F85 AromaticContact CG-CD2 3.76Å; F61-F85 HydrophobicContact CG-CD2 3.76Å; F61-F85 HydrophobicContact CG-CE2 4.32Å; F61-F85 AromaticContact CG-CG 3.64Å; F61-F85 HydrophobicContact CG-CG 3.64Å; F61-F85 HydrophobicContact CZ-CD1 4.49Å; I81-F85 PolarHBondContact O-N 3.46Å; R82-F85 PolarHBondContact O-N 2.94Å; F85-K87 VanDerWaalsContact C-N 3.31Å; F85-K87 PolarHBondContact O-N 2.9Å; F85-K88 PolarHBondContact O-N 3.48Å; F85-N89 HydrophobicContact CE1-CB 4.45Å; F85-N89 HydrophobicContact CE2-CB 4.5Å; F85-N89 HydrophobicContact CZ-CB 4.3Å; F85-N89 VanDerWaalsContact O-CB 3.22Å; F85-N89 WeakPolarHBondContact O-CB 2.96Å; F85-N89 PolarHBondContact O-N 2.93Å |
| 86 | N | 92 | Very high | 90.9 | Very high | 102 Ų | 102 | 88.8 Ų | 88.8 | 55% | 0.545 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 179.9 | -157.3 | -28.9 | 0 | 0 | 0 | 111.2 | R82 M84 N89 K90 | R82-N86 WeakPolarHBondContact O-CB 3.23Å; R82-N86 PolarHBondContact O-N 3.49Å; M84-N86 PolarHBondContact O-N 3.23Å; N86-N89 PolarHBondContact O-N 3.46Å; N86-K90 VanDerWaalsContact O-CB 3.31Å; N86-K90 WeakPolarHBondContact O-CB 3.45Å; N86-K90 PolarHBondContact O-N 3.41Å |
| 87 | K | 94.8 | Very high | 91.5 | Very high | 129 Ų | 129 | 87.6 Ų | 87.6 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.8 | -45.5 | 173.8 | -173.6 | 177.1 | -177.4 | 177.9 | 0 | 112.5 | L83 M84 F85 K91 | L83-K87 VanDerWaalsContact O-CB 3.32Å; L83-K87 WeakPolarHBondContact O-CB 3.38Å; L83-K87 PolarHBondContact O-N 3.33Å; M84-K87 PolarHBondContact O-N 2.94Å; F85-K87 VanDerWaalsContact C-N 3.31Å; F85-K87 PolarHBondContact O-N 2.9Å; K87-K91 WeakPolarHBondContact O-CG 3.37Å; K87-K91 PolarHBondContact O-N 2.85Å |
| 88 | K | 93.4 | Very high | 92.1 | Very high | 83 Ų | 83 | 84.8 Ų | 84.8 | 36% | 0.361 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64 | -48.6 | 176.3 | -76.1 | -173.9 | 169.7 | -166.4 | 0 | 111.3 | D57 E60 M84 F85 K90 K91 S92 | D57-K88 WeakPolarHBondContact OD1-CD 3.06Å; D57-K88 IonicContact OD1-NZ 2.85Å; D57-K88 PolarHBondContact OD1-NZ 3.3Å; E60-K88 IonicContact OE2-NZ 2.88Å; E60-K88 PolarHBondContact OE2-NZ 3.43Å; M84-K88 WeakPolarHBondContact O-CG 3.09Å; M84-K88 PolarHBondContact O-N 3.41Å; F85-K88 PolarHBondContact O-N 3.48Å; K88-K90 VanDerWaalsContact C-N 3.34Å; K88-K90 PolarHBondContact O-N 2.82Å; K88-K91 PolarHBondContact O-N 2.81Å; K88-K91 VanDerWaalsContact O-N 3.15Å; K88-S92 WeakPolarHBondContact O-CB 3.44Å; K88-S92 PolarHBondContact O-N 3.27Å |
| 89 | N | 93.5 | Very high | 92.7 | Very high | 45 Ų | 45 | 84.5 Ų | 84.5 | 24% | 0.241 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | -179.9 | -173.3 | 40.7 | 0 | 0 | 0 | 112.1 | K54 F85 N86 S92 T93 | K54-N89 WeakPolarHBondContact CE-OD1 3.33Å; F85-N89 HydrophobicContact CE1-CB 4.45Å; F85-N89 HydrophobicContact CE2-CB 4.5Å; F85-N89 HydrophobicContact CZ-CB 4.3Å; F85-N89 VanDerWaalsContact O-CB 3.22Å; F85-N89 WeakPolarHBondContact O-CB 2.96Å; F85-N89 PolarHBondContact O-N 2.93Å; N86-N89 PolarHBondContact O-N 3.46Å; N89-S92 PolarHBondContact O-N 3.47Å; N89-T93 VanDerWaalsContact O-CB 3.28Å; N89-T93 WeakPolarHBondContact O-CB 3.2Å; N89-T93 PolarHBondContact O-N 3.21Å; N89-T93 PolarHBondContact O-OG1 2.91Å |
| 90 | K | 94.2 | Very high | 93.2 | Very high | 133 Ų | 133 | 82.9 Ų | 82.9 | 58% | 0.578 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.1 | -46.7 | 174.1 | -174.2 | 172.3 | -177.4 | 172.8 | 0 | 111.9 | N86 K88 Q94 | N86-K90 VanDerWaalsContact O-CB 3.31Å; N86-K90 WeakPolarHBondContact O-CB 3.45Å; N86-K90 PolarHBondContact O-N 3.41Å; K88-K90 VanDerWaalsContact C-N 3.34Å; K88-K90 PolarHBondContact O-N 2.82Å; K90-Q94 WeakPolarHBondContact O-CB 3.43Å; K90-Q94 VanDerWaalsContact O-CG 3.27Å; K90-Q94 WeakPolarHBondContact O-CG 3.32Å; K90-Q94 PolarHBondContact O-N 3.39Å |
| 91 | K | 94 | Very high | 93.5 | Very high | 136 Ų | 136 | 81.7 Ų | 81.7 | 59% | 0.591 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.8 | -46.3 | 177.5 | -73.5 | -177.3 | 175 | -167.6 | 0 | 112.1 | K87 K88 Q94 L95 | K87-K91 WeakPolarHBondContact O-CG 3.37Å; K87-K91 PolarHBondContact O-N 2.85Å; K88-K91 PolarHBondContact O-N 2.81Å; K88-K91 VanDerWaalsContact O-N 3.15Å; K91-Q94 PolarHBondContact O-N 3.24Å; K91-L95 WeakPolarHBondContact O-CB 3.25Å; K91-L95 PolarHBondContact O-N 3.44Å |
| 92 | S | 92.7 | Very high | 93.8 | Very high | 16 Ų | 16 | 85.9 Ų | 85.9 | 11% | 0.112 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 177.5 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | K54 K88 N89 Q94 L95 I96 | K54-S92 WeakPolarHBondContact CB-OG 3.35Å; K88-S92 WeakPolarHBondContact O-CB 3.44Å; K88-S92 PolarHBondContact O-N 3.27Å; N89-S92 PolarHBondContact O-N 3.47Å; S92-Q94 PolarHBondContact O-N 3.31Å; S92-L95 WeakPolarHBondContact O-CB 3.47Å; S92-L95 PolarHBondContact O-N 3.45Å; S92-I96 WeakPolarHBondContact O-CG1 3.4Å; S92-I96 PolarHBondContact O-N 2.9Å |
| 93 | T | 94.5 | Very high | 94 | Very high | 47 Ų | 47 | 82.8 Ų | 82.8 | 29% | 0.288 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 176.7 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | N89 L95 I96 N97 | N89-T93 VanDerWaalsContact O-CB 3.28Å; N89-T93 WeakPolarHBondContact O-CB 3.2Å; N89-T93 PolarHBondContact O-N 3.21Å; N89-T93 PolarHBondContact O-OG1 2.91Å; T93-L95 PolarHBondContact O-N 2.91Å; T93-I96 PolarHBondContact O-N 2.96Å; T93-N97 WeakPolarHBondContact O-CB 3.32Å; T93-N97 PolarHBondContact O-N 3.31Å; T93-N97 PolarHBondContact O-ND2 3.5Å |
| 94 | Q | 95.7 | Very high | 94.1 | Very high | 115 Ų | 115 | 82 Ų | 82 | 54% | 0.537 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 174.9 | -74.8 | 176 | -19.6 | 0 | 0 | 112.3 | K90 K91 S92 N97 S98 | K90-Q94 WeakPolarHBondContact O-CB 3.43Å; K90-Q94 VanDerWaalsContact O-CG 3.27Å; K90-Q94 WeakPolarHBondContact O-CG 3.32Å; K90-Q94 PolarHBondContact O-N 3.39Å; K91-Q94 PolarHBondContact O-N 3.24Å; S92-Q94 PolarHBondContact O-N 3.31Å; Q94-N97 PolarHBondContact O-N 3.48Å; Q94-S98 WeakPolarHBondContact O-CB 3.49Å; Q94-S98 PolarHBondContact O-N 2.97Å |
| 95 | L | 94.6 | Very high | 94.2 | Very high | 89 Ų | 89 | 79 Ų | 79 | 47% | 0.466 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -50.7 | 176.7 | 178.8 | 64.2 | 0 | 0 | 0 | 111 | A50 K91 S92 T93 N97 S98 L99 | A50-L95 HydrophobicContact CB-CD2 4.32Å; K91-L95 WeakPolarHBondContact O-CB 3.25Å; K91-L95 PolarHBondContact O-N 3.44Å; S92-L95 WeakPolarHBondContact O-CB 3.47Å; S92-L95 PolarHBondContact O-N 3.45Å; T93-L95 PolarHBondContact O-N 2.91Å; L95-N97 VanDerWaalsContact C-N 3.33Å; L95-N97 PolarHBondContact O-N 3.4Å; L95-S98 PolarHBondContact O-N 2.91Å; L95-S98 VanDerWaalsContact O-N 3.12Å; L95-S98 PolarHBondContact O-OG 3.47Å; L95-L99 HydrophobicContact CD1-CD1 4.28Å; L95-L99 HydrophobicContact CD1-CG 4.38Å; L95-L99 HydrophobicContact CG-CD1 4.13Å; L95-L99 WeakPolarHBondContact O-CG 3.26Å; L95-L99 PolarHBondContact O-N 2.87Å |
| 96 | I | 94.3 | Very high | 94.2 | Very high | 15 Ų | 15 | 80 Ų | 80 | 8% | 0.077 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -56.8 | -47.6 | 177.9 | -67.8 | 165.9 | 0 | 0 | 0 | 110.4 | A50 V51 K54 S92 T93 S98 L99 Q100 | A50-I96 HydrophobicContact CB-CG1 3.9Å; V51-I96 HydrophobicContact CG2-CD1 4.04Å; K54-I96 HydrophobicContact CD-CD1 4.09Å; S92-I96 WeakPolarHBondContact O-CG1 3.4Å; S92-I96 PolarHBondContact O-N 2.9Å; T93-I96 PolarHBondContact O-N 2.96Å; I96-S98 VanDerWaalsContact C-N 3.33Å; I96-S98 PolarHBondContact O-N 3.4Å; I96-L99 PolarHBondContact O-N 2.88Å; I96-Q100 HydrophobicContact CG2-CG 4.31Å; I96-Q100 WeakPolarHBondContact O-CB 3.43Å; I96-Q100 WeakPolarHBondContact O-CG 3.44Å; I96-Q100 PolarHBondContact O-N 2.94Å |
| 97 | N | 95.2 | Very high | 94.1 | Very high | 78 Ų | 78 | 79.5 Ų | 79.5 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 177.5 | -71.9 | -19.5 | 0 | 0 | 0 | 112.4 | T93 Q94 L95 K101 | T93-N97 WeakPolarHBondContact O-CB 3.32Å; T93-N97 PolarHBondContact O-N 3.31Å; T93-N97 PolarHBondContact O-ND2 3.5Å; Q94-N97 PolarHBondContact O-N 3.48Å; L95-N97 VanDerWaalsContact C-N 3.33Å; L95-N97 PolarHBondContact O-N 3.4Å; N97-K101 WeakPolarHBondContact O-CG 3.31Å; N97-K101 PolarHBondContact O-N 3.2Å |
| 98 | S | 96.1 | Very high | 93.9 | Very high | 51 Ų | 51 | 76 Ų | 76 | 36% | 0.357 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.6 | -35.8 | 177.9 | 76.4 | 0 | 0 | 0 | 0 | 112.5 | Q94 L95 I96 K102 | Q94-S98 WeakPolarHBondContact O-CB 3.49Å; Q94-S98 PolarHBondContact O-N 2.97Å; L95-S98 PolarHBondContact O-N 2.91Å; L95-S98 VanDerWaalsContact O-N 3.12Å; L95-S98 PolarHBondContact O-OG 3.47Å; I96-S98 VanDerWaalsContact C-N 3.33Å; I96-S98 PolarHBondContact O-N 3.4Å; S98-K102 WeakPolarHBondContact O-CG 3.43Å; S98-K102 PolarHBondContact O-N 2.85Å |
| 99 | L | 96.6 | Very high | 93.6 | Very high | 19 Ų | 19 | 74.3 Ų | 74.3 | 10% | 0.099 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -72 | -41.7 | 176.1 | -69.5 | 172.3 | 0 | 0 | 0 | 111.4 | V43 K46 I47 A50 L95 I96 K101 K102 L103 | V43-L99 HydrophobicContact CG1-CB 4.39Å; V43-L99 WeakPolarHBondContact CG1-O 3.42Å; K46-L99 HydrophobicContact CB-CD1 4.08Å; K46-L99 HydrophobicContact CB-CD2 4.33Å; I47-L99 HydrophobicContact CD1-CB 4.04Å; I47-L99 HydrophobicContact CG1-CB 3.51Å; I47-L99 HydrophobicContact CG1-CD1 4.12Å; I47-L99 HydrophobicContact CG1-CG 4.44Å; A50-L99 HydrophobicContact CB-CD1 4.44Å; L95-L99 HydrophobicContact CD1-CD1 4.28Å; L95-L99 HydrophobicContact CD1-CG 4.38Å; L95-L99 HydrophobicContact CG-CD1 4.13Å; L95-L99 WeakPolarHBondContact O-CG 3.26Å; L95-L99 PolarHBondContact O-N 2.87Å; I96-L99 PolarHBondContact O-N 2.88Å; L99-K101 VanDerWaalsContact C-N 3.33Å; L99-K101 PolarHBondContact O-N 3.08Å; L99-K102 WeakPolarHBondContact O-CB 3.22Å; L99-K102 PolarHBondContact O-N 3.45Å; L99-K102 VanDerWaalsContact O-N 3.14Å; L99-L103 PolarHBondContact O-N 2.88Å |
| 100 | Q | 95.1 | Very high | 93.1 | Very high | 88 Ų | 88 | 73.3 Ų | 73.3 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 174 | -75.1 | 175.2 | -25.2 | 0 | 0 | 111.7 | I47 I96 K102 L103 L104 | I47-Q100 HydrophobicContact CD1-CG 4.13Å; I96-Q100 HydrophobicContact CG2-CG 4.31Å; I96-Q100 WeakPolarHBondContact O-CB 3.43Å; I96-Q100 WeakPolarHBondContact O-CG 3.44Å; I96-Q100 PolarHBondContact O-N 2.94Å; Q100-K102 VanDerWaalsContact C-N 3.33Å; Q100-K102 PolarHBondContact O-N 2.73Å; Q100-L103 WeakPolarHBondContact O-CB 3.34Å; Q100-L103 PolarHBondContact O-N 3.05Å; Q100-L104 WeakPolarHBondContact O-CG 3.35Å; Q100-L104 PolarHBondContact O-N 3.04Å |
| 101 | K | 95.3 | Very high | 92.5 | Very high | 158 Ų | 158 | 72.1 Ų | 72.1 | 69% | 0.687 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.8 | -41.4 | 173.5 | -75.3 | 178.9 | -178.9 | -173.5 | 0 | 112.5 | N97 L99 L104 A105 | N97-K101 WeakPolarHBondContact O-CG 3.31Å; N97-K101 PolarHBondContact O-N 3.2Å; L99-K101 VanDerWaalsContact C-N 3.33Å; L99-K101 PolarHBondContact O-N 3.08Å; K101-L104 PolarHBondContact O-N 3.46Å; K101-A105 WeakPolarHBondContact O-CB 3.41Å; K101-A105 PolarHBondContact O-N 3.15Å |
| 102 | K | 94.1 | Very high | 92.1 | Very high | 116 Ų | 116 | 70.9 Ų | 70.9 | 50% | 0.504 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 175.7 | -74.5 | -178.8 | -179.7 | -176.2 | 0 | 112.2 | S98 L99 Q100 A105 Y106 | S98-K102 WeakPolarHBondContact O-CG 3.43Å; S98-K102 PolarHBondContact O-N 2.85Å; L99-K102 WeakPolarHBondContact O-CB 3.22Å; L99-K102 PolarHBondContact O-N 3.45Å; L99-K102 VanDerWaalsContact O-N 3.14Å; Q100-K102 VanDerWaalsContact C-N 3.33Å; Q100-K102 PolarHBondContact O-N 2.73Å; K102-A105 PolarHBondContact O-N 2.85Å; K102-Y106 VanDerWaalsContact O-CD2 3.31Å; K102-Y106 WeakPolarHBondContact O-CD2 3.39Å; K102-Y106 PolarHBondContact O-N 3.34Å |
| 103 | L | 93.6 | Very high | 91.4 | Very high | 34 Ų | 34 | 71.6 Ų | 71.6 | 18% | 0.178 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 176.5 | -174.6 | 141.2 | 0 | 0 | 0 | 110.8 | V43 I47 L99 Q100 A105 Y106 Q107 | V43-L103 HydrophobicContact CG1-CB 3.87Å; V43-L103 HydrophobicContact CG1-CD1 4.31Å; I47-L103 HydrophobicContact CD1-CB 4.31Å; I47-L103 HydrophobicContact CD1-CD1 3.87Å; L99-L103 PolarHBondContact O-N 2.88Å; Q100-L103 WeakPolarHBondContact O-CB 3.34Å; Q100-L103 PolarHBondContact O-N 3.05Å; L103-A105 VanDerWaalsContact C-N 3.34Å; L103-A105 PolarHBondContact O-N 2.99Å; L103-Y106 PolarHBondContact O-N 3.19Å; L103-Q107 HydrophobicContact CD2-CG 4.37Å; L103-Q107 WeakPolarHBondContact O-CG 3.44Å; L103-Q107 PolarHBondContact O-N 3.23Å |
| 104 | L | 92.3 | Very high | 90.4 | Very high | 110 Ų | 110 | 74 Ų | 74 | 58% | 0.576 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.7 | -40.5 | 175.2 | -69.6 | 172.8 | 0 | 0 | 0 | 112.2 | Q100 K101 Q107 S108 | Q100-L104 WeakPolarHBondContact O-CG 3.35Å; Q100-L104 PolarHBondContact O-N 3.04Å; K101-L104 PolarHBondContact O-N 3.46Å; L104-Q107 PolarHBondContact O-N 3.44Å; L104-S108 WeakPolarHBondContact O-CB 3.4Å; L104-S108 PolarHBondContact O-N 2.73Å |
| 105 | A | 93.4 | Very high | 89.3 | Confident | 52 Ų | 52 | 73.9 Ų | 73.9 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K101 K102 L103 S108 S109 | K101-A105 WeakPolarHBondContact O-CB 3.41Å; K101-A105 PolarHBondContact O-N 3.15Å; K102-A105 PolarHBondContact O-N 2.85Å; L103-A105 VanDerWaalsContact C-N 3.34Å; L103-A105 PolarHBondContact O-N 2.99Å; A105-S108 PolarHBondContact O-N 2.85Å; A105-S109 PolarHBondContact O-N 3.15Å; A105-S109 PolarHBondContact O-OG 3.37Å; A105-S109 VanDerWaalsContact O-OG 3.12Å |
| 106 | Y | 93.1 | Very high | 87.8 | Confident | 65 Ų | 65 | 73 Ų | 73 | 26% | 0.255 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.7 | -35.6 | 176.5 | -63.8 | -35.5 | 0 | 0 | 0 | 113 | L36 K39 V43 K102 L103 S109 L110 | L36-Y106 HydrophobicContact CD2-CD1 4.1Å; K39-Y106 HydrophobicContact CB-CD2 4.03Å; K39-Y106 HydrophobicContact CB-CE2 3.95Å; K39-Y106 HydrophobicContact CB-CG 4.46Å; K39-Y106 HydrophobicContact CD-CE1 4.14Å; V43-Y106 HydrophobicContact CG2-CD2 4.15Å; V43-Y106 HydrophobicContact CG2-CE2 3.71Å; K102-Y106 VanDerWaalsContact O-CD2 3.31Å; K102-Y106 WeakPolarHBondContact O-CD2 3.39Å; K102-Y106 PolarHBondContact O-N 3.34Å; L103-Y106 PolarHBondContact O-N 3.19Å; Y106-S109 PolarHBondContact O-N 2.95Å; Y106-L110 WeakPolarHBondContact O-CB 3.49Å; Y106-L110 PolarHBondContact O-N 3.48Å |
| 107 | Q | 90.6 | Very high | 85.9 | Confident | 90 Ų | 90 | 73.8 Ų | 73.8 | 42% | 0.421 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 173.2 | -74.3 | 177.8 | -32.3 | 0 | 0 | 111.8 | I40 L103 L104 L110 Q111 | I40-Q107 HydrophobicContact CD1-CG 4.07Å; L103-Q107 HydrophobicContact CD2-CG 4.37Å; L103-Q107 WeakPolarHBondContact O-CG 3.44Å; L103-Q107 PolarHBondContact O-N 3.23Å; L104-Q107 PolarHBondContact O-N 3.44Å; Q107-L110 PolarHBondContact O-N 3.41Å; Q107-Q111 PolarHBondContact O-N 3.48Å |
| 108 | S | 88.7 | Confident | 83.5 | Confident | 55 Ų | 55 | 73 Ų | 73 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 173.9 | -165.1 | 0 | 0 | 0 | 0 | 111.4 | L104 A105 L110 Q111 E112 | L104-S108 WeakPolarHBondContact O-CB 3.4Å; L104-S108 PolarHBondContact O-N 2.73Å; A105-S108 PolarHBondContact O-N 2.85Å; S108-L110 VanDerWaalsContact C-N 3.26Å; S108-L110 PolarHBondContact O-N 2.77Å; S108-Q111 PolarHBondContact O-N 3.36Å; S108-E112 WeakPolarHBondContact O-CG 3.39Å; S108-E112 PolarHBondContact O-N 2.91Å; S108-E112 PolarHBondContact OG-OE1 2.96Å |
| 109 | S | 87.6 | Confident | 80.9 | Confident | 49 Ų | 49 | 78.1 Ų | 78.1 | 34% | 0.343 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.5 | -31.3 | 177 | -60.9 | 0 | 0 | 0 | 0 | 113 | A105 Y106 L113 | A105-S109 PolarHBondContact O-N 3.15Å; A105-S109 PolarHBondContact O-OG 3.37Å; A105-S109 VanDerWaalsContact O-OG 3.12Å; Y106-S109 PolarHBondContact O-N 2.95Å; S109-L113 WeakPolarHBondContact O-CB 3.44Å; S109-L113 PolarHBondContact O-N 3.48Å; S109-L113 VanDerWaalsContact O-N 3.08Å |
| 110 | L | 84.3 | Confident | 78.3 | Confident | 23 Ų | 23 | 88.3 Ų | 88.3 | 12% | 0.12 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -70.4 | -41.5 | 175.3 | -172.1 | 132.4 | 0 | 0 | 0 | 111.1 | Q33 L36 L37 I40 Y106 Q107 S108 L113 E114 | Q33-L110 HydrophobicContact CG-CD1 4.39Å; L36-L110 HydrophobicContact CB-CD1 3.95Å; L36-L110 HydrophobicContact CD1-CB 4.32Å; L37-L110 HydrophobicContact CD2-CD1 3.54Å; L37-L110 HydrophobicContact CG-CD1 3.72Å; I40-L110 HydrophobicContact CD1-CD1 4.09Å; Y106-L110 WeakPolarHBondContact O-CB 3.49Å; Y106-L110 PolarHBondContact O-N 3.48Å; Q107-L110 PolarHBondContact O-N 3.41Å; S108-L110 VanDerWaalsContact C-N 3.26Å; S108-L110 PolarHBondContact O-N 2.77Å; L110-L113 PolarHBondContact O-N 3.43Å; L110-E114 WeakPolarHBondContact CD2-OE1 3.47Å; L110-E114 WeakPolarHBondContact O-CG 3.47Å; L110-E114 PolarHBondContact O-N 3.03Å |
| 111 | Q | 81.4 | Confident | 75.9 | Confident | 109 Ų | 109 | 92.1 Ų | 92.1 | 51% | 0.509 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 173.8 | -172.9 | -176 | -19.5 | 0 | 0 | 111.9 | Q107 S108 L113 E114 E115 | Q107-Q111 PolarHBondContact O-N 3.48Å; S108-Q111 PolarHBondContact O-N 3.36Å; Q111-L113 VanDerWaalsContact C-N 3.29Å; Q111-L113 PolarHBondContact O-N 2.91Å; Q111-E114 PolarHBondContact O-N 2.89Å; Q111-E115 PolarHBondContact NE2-OE1 2.99Å; Q111-E115 WeakPolarHBondContact O-CG 3.41Å; Q111-E115 PolarHBondContact O-N 3.22Å |
| 112 | E | 84.2 | Confident | 73.2 | Confident | 109 Ų | 109 | 87.4 Ų | 87.4 | 51% | 0.509 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.4 | -35.4 | 176.3 | -72.6 | 165.5 | -150.7 | 0 | 0 | 112.2 | S108 S116 | S108-E112 WeakPolarHBondContact O-CG 3.39Å; S108-E112 PolarHBondContact O-N 2.91Å; S108-E112 PolarHBondContact OG-OE1 2.96Å; E112-S116 VanDerWaalsContact O-CB 3.3Å; E112-S116 WeakPolarHBondContact O-CB 3.38Å; E112-S116 PolarHBondContact O-N 3.46Å; E112-S116 PolarHBondContact O-OG 3.5Å |
| 113 | L | 79 | Confident | 70.7 | Confident | 31 Ų | 31 | 91.3 Ų | 91.3 | 16% | 0.162 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -70.8 | -36.3 | 176.5 | -162.4 | 68.3 | 0 | 0 | 0 | 111.9 | E32 Q33 L36 S109 L110 Q111 S116 G117 | E32-L113 HydrophobicContact CB-CD2 3.67Å; Q33-L113 HydrophobicContact CB-CD2 4.07Å; L36-L113 HydrophobicContact CD1-CD2 4.18Å; S109-L113 WeakPolarHBondContact O-CB 3.44Å; S109-L113 PolarHBondContact O-N 3.48Å; S109-L113 VanDerWaalsContact O-N 3.08Å; L110-L113 PolarHBondContact O-N 3.43Å; Q111-L113 VanDerWaalsContact C-N 3.29Å; Q111-L113 PolarHBondContact O-N 2.91Å; L113-S116 WeakPolarHBondContact CA-OG 3.38Å; L113-S116 PolarHBondContact O-OG 2.93Å; L113-G117 PolarHBondContact O-N 3.45Å |
| 114 | E | 73.3 | Confident | 68.2 | Low | 98 Ų | 98 | 94.7 Ų | 94.7 | 46% | 0.458 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 172.8 | -71.9 | 174 | 178.4 | 0 | 0 | 111.7 | Q33 L110 Q111 S118 | Q33-E114 PolarHBondContact NE2-OE1 3.5Å; L110-E114 WeakPolarHBondContact CD2-OE1 3.47Å; L110-E114 WeakPolarHBondContact O-CG 3.47Å; L110-E114 PolarHBondContact O-N 3.03Å; Q111-E114 PolarHBondContact O-N 2.89Å; E114-S118 WeakPolarHBondContact O-CB 3.48Å; E114-S118 PolarHBondContact O-N 3.04Å |
| 115 | E | 72.1 | Confident | 65.8 | Low | 113 Ų | 113 | 92.8 Ų | 92.8 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 177.2 | -73.3 | 177.8 | -169.1 | 0 | 0 | 112.1 | Q111 S118 L119 | Q111-E115 PolarHBondContact NE2-OE1 2.99Å; Q111-E115 WeakPolarHBondContact O-CG 3.41Å; Q111-E115 PolarHBondContact O-N 3.22Å; E115-S118 WeakPolarHBondContact O-CB 3.28Å; E115-S118 PolarHBondContact O-N 3.33Å; E115-L119 PolarHBondContact O-N 3.25Å |
| 116 | S | 63.2 | Low | 63.7 | Low | 70 Ų | 70 | 95.6 Ų | 95.6 | 49% | 0.49 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.2 | -33.1 | 177.1 | 56.9 | 0 | 0 | 0 | 0 | 113 | E112 L113 L119 | E112-S116 VanDerWaalsContact O-CB 3.3Å; E112-S116 WeakPolarHBondContact O-CB 3.38Å; E112-S116 PolarHBondContact O-N 3.46Å; E112-S116 PolarHBondContact O-OG 3.5Å; L113-S116 WeakPolarHBondContact CA-OG 3.38Å; L113-S116 PolarHBondContact O-OG 2.93Å; S116-L119 PolarHBondContact O-N 3.05Å |
| 117 | G | 55.1 | Low | 61.5 | Low | 31 Ų | 31 | 98.1 Ų | 98.1 | 32% | 0.32 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.2 | -34.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113 | L113 L119 R120 R121 | L113-G117 PolarHBondContact O-N 3.45Å; G117-L119 VanDerWaalsContact C-N 3.27Å; G117-L119 PolarHBondContact O-N 2.88Å; G117-R120 PolarHBondContact O-N 3.49Å; G117-R121 PolarHBondContact O-N 3.34Å |
| 118 | S | 44.7 | Very low | 59.4 | Low | 62 Ų | 62 | 98.6 Ų | 98.6 | 43% | 0.434 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -29.4 | 177.8 | -166.7 | 0 | 0 | 0 | 0 | 112.7 | E114 E115 R120 R121 G122 | E114-S118 WeakPolarHBondContact O-CB 3.48Å; E114-S118 PolarHBondContact O-N 3.04Å; E115-S118 WeakPolarHBondContact O-CB 3.28Å; E115-S118 PolarHBondContact O-N 3.33Å; S118-R120 PolarHBondContact O-N 2.95Å; S118-R121 PolarHBondContact O-N 3Å; S118-G122 PolarHBondContact O-N 2.99Å; S118-G122 VanDerWaalsContact O-N 3.15Å |
| 119 | L | 40.5 | Very low | 57.7 | Low | 158 Ų | 158 | 101.2 Ų | 101.2 | 83% | 0.827 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64 | -21.8 | 175.5 | -99.6 | 160.5 | 0 | 0 | 0 | 114 | E115 S116 G117 | E115-L119 PolarHBondContact O-N 3.25Å; S116-L119 PolarHBondContact O-N 3.05Å; G117-L119 VanDerWaalsContact C-N 3.27Å; G117-L119 PolarHBondContact O-N 2.88Å |
| 120 | R | 42.6 | Very low | 55.9 | Low | 234 Ų | 234 | 105.7 Ų | 105.7 | 88% | 0.883 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -93.9 | -18.6 | 169.6 | -89.7 | -156.6 | -168.7 | -153.5 | 7.1 | 114.2 | G117 S118 | G117-R120 PolarHBondContact O-N 3.49Å; S118-R120 PolarHBondContact O-N 2.95Å |
| 121 | R | 44.2 | Very low | 54.3 | Low | 167 Ų | 167 | 107.2 Ų | 107.2 | 63% | 0.63 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -94 | 4.2 | -179.4 | -133.6 | 177.6 | -168.3 | 149.3 | 1.6 | 113.9 | G117 S118 F123 T124 | G117-R121 PolarHBondContact O-N 3.34Å; S118-R121 PolarHBondContact O-N 3Å; R121-F123 PolarHBondContact O-N 2.82Å; R121-T124 PolarHBondContact O-N 2.76Å |
| 122 | G | 39.4 | Very low | 52.8 | Low | 59 Ų | 59 | 103.7 Ų | 103.7 | 61% | 0.608 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -0.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | S118 | S118-G122 PolarHBondContact O-N 2.99Å; S118-G122 VanDerWaalsContact O-N 3.15Å |
| 123 | F | 42.3 | Very low | 51.4 | Low | 198 Ų | 198 | 106.1 Ų | 106.1 | 87% | 0.868 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -12 | 173.2 | -155 | -100.5 | 0 | 0 | 0 | 114.8 | R121 | R121-F123 PolarHBondContact O-N 2.82Š|
| 124 | T | 40.2 | Very low | 49.8 | Very low | 106 Ų | 106 | 106 Ų | 106 | 65% | 0.65 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.6 | 3.7 | -175.4 | 58.9 | 0 | 0 | 0 | 0 | 115.7 | R121 | R121-T124 PolarHBondContact O-N 2.76Š|
| 125 | E | 42.2 | Very low | 48.3 | Very low | 69 Ų | 69 | 105.8 Ų | 105.8 | 32% | 0.322 | 57% | 0.574 | S | S | . | * | trans | -121.2 | 16.9 | -169.3 | -127.8 | -175.9 | 161.2 | 0 | 0 | 115.9 | V127 L128 | E125-V127 PolarHBondContact O-N 3.44Å; E125-V127 VanDerWaalsContact O-N 3.11Å; E125-L128 HydrophobicContact CG-CB 4.1Å; E125-L128 HydrophobicContact CG-CD1 3.75Å; E125-L128 HydrophobicContact CG-CG 4.38Å; E125-L128 PolarHBondContact O-N 3.12Å; E125-L128 WeakPolarHBondContact OE1-CD1 3.38Å | ||
| 126 | T | 48.1 | Very low | 47 | Very low | 111 Ų | 111 | 107.9 Ų | 107.9 | 68% | 0.681 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -10.9 | 170.5 | 39.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 127 | V | 46.9 | Very low | 46 | Very low | 119 Ų | 119 | 108 Ų | 108 | 72% | 0.721 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -26.5 | 178.5 | -175.6 | 0 | 0 | 0 | 0 | 113 | E125 | E125-V127 PolarHBondContact O-N 3.44Å; E125-V127 VanDerWaalsContact O-N 3.11Å |
| 128 | L | 48.4 | Very low | 45.5 | Very low | 100 Ų | 100 | 110.2 Ų | 110.2 | 52% | 0.524 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.8 | -19.4 | -178.5 | -74.1 | 162.7 | 0 | 0 | 0 | 114 | E125 N130 V131 G132 | E125-L128 HydrophobicContact CG-CB 4.1Å; E125-L128 HydrophobicContact CG-CD1 3.75Å; E125-L128 HydrophobicContact CG-CG 4.38Å; E125-L128 PolarHBondContact O-N 3.12Å; E125-L128 WeakPolarHBondContact OE1-CD1 3.38Å; L128-N130 PolarHBondContact O-N 3.3Å; L128-V131 PolarHBondContact O-N 3.25Å; L128-V131 VanDerWaalsContact O-N 3.14Å; L128-G132 PolarHBondContact O-N 2.92Å |
| 129 | N | 52.4 | Low | 45.6 | Very low | 109 Ų | 109 | 113.7 Ų | 113.7 | 58% | 0.583 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.8 | -19.3 | -179.9 | -84 | -17.6 | 0 | 0 | 0 | 114.5 | V131 | N129-V131 VanDerWaalsContact C-N 3.28Å; N129-V131 PolarHBondContact O-N 3.31Å |
| 130 | N | 49.1 | Very low | 45.5 | Very low | 143 Ų | 143 | 111.6 Ų | 111.6 | 77% | 0.765 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -77.6 | -15.2 | 176.5 | -71.2 | -11.7 | 0 | 0 | 0 | 113.2 | L128 | L128-N130 PolarHBondContact O-N 3.3Å |
| 131 | V | 51.2 | Low | 45.6 | Very low | 56 Ų | 56 | 105.1 Ų | 105.1 | 34% | 0.339 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -94 | -33.7 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | L128 N129 Q133 G134 | L128-V131 PolarHBondContact O-N 3.25Å; L128-V131 VanDerWaalsContact O-N 3.14Å; N129-V131 VanDerWaalsContact C-N 3.28Å; N129-V131 PolarHBondContact O-N 3.31Å; V131-Q133 VanDerWaalsContact C-N 3.26Å; V131-Q133 PolarHBondContact O-N 3.36Å; V131-G134 PolarHBondContact O-N 3.43Å |
| 132 | G | 50.4 | Low | 45.4 | Very low | 34 Ų | 34 | 100.9 Ų | 100.9 | 35% | 0.351 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.8 | -14.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L128 G134 | L128-G132 PolarHBondContact O-N 2.92Å; G132-G134 VanDerWaalsContact C-N 3.3Å; G132-G134 PolarHBondContact O-N 2.87Å |
| 133 | Q | 54.1 | Low | 45.9 | Very low | 161 Ų | 161 | 105.8 Ų | 105.8 | 75% | 0.752 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -17.2 | 177.5 | -67.7 | -163.1 | 1.6 | 0 | 0 | 113.5 | V131 | V131-Q133 VanDerWaalsContact C-N 3.26Å; V131-Q133 PolarHBondContact O-N 3.36Å |
| 134 | G | 45 | Very low | 46.2 | Very low | 27 Ų | 27 | 101.9 Ų | 101.9 | 28% | 0.278 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.8 | -27.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V131 G132 | V131-G134 PolarHBondContact O-N 3.43Å; G132-G134 VanDerWaalsContact C-N 3.3Å; G132-G134 PolarHBondContact O-N 2.87Å |
| 135 | L | 42.1 | Very low | 46.5 | Very low | 94 Ų | 94 | 101.4 Ų | 101.4 | 49% | 0.492 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.2 | -14.4 | -176 | -87.2 | 125.3 | 0 | 0 | 0 | 114.3 | S137 | L135-S137 VanDerWaalsContact C-N 3.26Å; L135-S137 PolarHBondContact O-N 3.02Å |
| 136 | K | 44.7 | Very low | 46.7 | Very low | 158 Ų | 158 | 101.9 Ų | 101.9 | 69% | 0.687 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -17.1 | 175.9 | -69.2 | -177 | -180 | -175.5 | 0 | 113.2 | ||
| 137 | S | 42.2 | Very low | 46.6 | Very low | 73 Ų | 73 | 103.8 Ų | 103.8 | 51% | 0.51 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.4 | -35.7 | 176 | -171.5 | 0 | 0 | 0 | 0 | 112.7 | L135 | L135-S137 VanDerWaalsContact C-N 3.26Å; L135-S137 PolarHBondContact O-N 3.02Å |
| 138 | V | 44.8 | Very low | 46.6 | Very low | 76 Ų | 76 | 108.2 Ų | 108.2 | 46% | 0.461 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.4 | -16.1 | -172.1 | 176.2 | 0 | 0 | 0 | 0 | 113.3 | M298 | V138-M298 HydrophobicContact CB-CE 4.44Å; V138-M298 HydrophobicContact CG2-CE 3.24Å; V138-M298 HydrophobicContact CG2-SD 3.93Å |
| 139 | I | 46.2 | Very low | 46.4 | Very low | 135 Ų | 135 | 109.4 Ų | 109.4 | 69% | 0.692 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -91.8 | -4.2 | 176.6 | -58 | 173.9 | 0 | 0 | 0 | 112 | V141 | I139-V141 PolarHBondContact O-N 3.01Š|
| 140 | N | 39.2 | Very low | 46.1 | Very low | 114 Ų | 114 | 110.8 Ų | 110.8 | 61% | 0.61 | 58% | 0.58 | S | S | * | * | trans | -81.2 | 66.9 | 166.3 | -80.7 | 3.4 | 0 | 0 | 0 | 110.3 | P142 | N140-P142 VanDerWaalsContact O-N 3.07Š| ||
| 141 | V | 44.7 | Very low | 45.7 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 59% | 0.594 | 59% | 0.585 | S | S | * | * | trans | -50.7 | 118.3 | 154.8 | 176.5 | 0 | 0 | 0 | 0 | 106 | I139 K143 L145 | I139-V141 PolarHBondContact O-N 3.01Å; V141-K143 PolarHBondContact O-N 3.02Å; V141-L145 HydrophobicContact CG1-CD1 4.27Å | ||
| 142 | P | 39.6 | Very low | 45.4 | Very low | 78 Ų | 78 | 116.4 Ų | 116.4 | 51% | 0.506 | 60% | 0.598 | S | S | . | * | trans | -64.3 | 132.1 | -159.8 | 22.8 | -31.3 | 0 | 0 | 0 | 109.1 | N140 D144 L145 | N140-P142 VanDerWaalsContact O-N 3.07Å; P142-D144 PolarHBondContact O-N 3.47Å; P142-L145 PolarHBondContact O-N 3.45Å | ||
| 143 | K | 49.4 | Very low | 45 | Very low | 163 Ų | 163 | 124.5 Ų | 124.5 | 71% | 0.709 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -55.3 | -1.4 | -178.6 | -67.1 | 173.3 | 177.7 | 173.7 | 0 | 114 | V141 | V141-K143 PolarHBondContact O-N 3.02Å |
| 144 | D | 50.3 | Low | 44.4 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -81 | -29.6 | 171.8 | -73.9 | -32 | 0 | 0 | 0 | 114.3 | P142 T146 K147 R148 | P142-D144 PolarHBondContact O-N 3.47Å; D144-T146 VanDerWaalsContact C-N 3.3Å; D144-T146 PolarHBondContact O-N 2.94Å; D144-K147 PolarHBondContact O-N 3.35Å; D144-R148 PolarHBondContact O-N 3.41Å; D144-R148 VanDerWaalsContact O-N 3.11Å |
| 145 | L | 46.7 | Very low | 44.2 | Very low | 97 Ų | 97 | 125 Ų | 125 | 51% | 0.508 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -66.7 | -36.1 | 172.8 | -88.6 | 169.5 | 0 | 0 | 0 | 111.4 | V141 P142 K147 R148 L149 | V141-L145 HydrophobicContact CG1-CD1 4.27Å; P142-L145 PolarHBondContact O-N 3.45Å; L145-K147 PolarHBondContact O-N 2.95Å; L145-R148 PolarHBondContact O-N 3.05Å; L145-L149 WeakPolarHBondContact O-CB 3.4Å; L145-L149 WeakPolarHBondContact O-CG 3.46Å; L145-L149 PolarHBondContact O-N 3.1Å |
| 146 | T | 46.1 | Very low | 44 | Very low | 78 Ų | 78 | 124.4 Ų | 124.4 | 48% | 0.479 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -68.8 | -34.4 | 177.7 | -36.2 | 0 | 0 | 0 | 0 | 111.7 | D144 L150 | D144-T146 VanDerWaalsContact C-N 3.3Å; D144-T146 PolarHBondContact O-N 2.94Å; T146-L150 HydrophobicContact CG2-CD1 3.73Å; T146-L150 WeakPolarHBondContact O-CD1 3.38Å; T146-L150 PolarHBondContact O-N 3.41Å |
| 147 | K | 45.1 | Very low | 43.5 | Very low | 151 Ų | 151 | 121.1 Ų | 121.1 | 66% | 0.657 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.5 | -33.5 | 173.7 | -73.3 | 179.5 | -177.1 | 174 | 0 | 112.4 | D144 L145 | D144-K147 PolarHBondContact O-N 3.35Å; L145-K147 PolarHBondContact O-N 2.95Å |
| 148 | R | 46.2 | Very low | 43.5 | Very low | 213 Ų | 213 | 123.7 Ų | 123.7 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -73.9 | -33.5 | 176.8 | -140.7 | 170.9 | 175.2 | -177.4 | -3.3 | 112.1 | D144 L145 | D144-R148 PolarHBondContact O-N 3.41Å; D144-R148 VanDerWaalsContact O-N 3.11Å; L145-R148 PolarHBondContact O-N 3.05Å |
| 149 | L | 44.2 | Very low | 43.3 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 65% | 0.654 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -77.1 | -28 | 175.4 | -72.2 | 165.8 | 0 | 0 | 0 | 113.8 | L145 R151 | L145-L149 WeakPolarHBondContact O-CB 3.4Å; L145-L149 WeakPolarHBondContact O-CG 3.46Å; L145-L149 PolarHBondContact O-N 3.1Å; L149-R151 VanDerWaalsContact C-N 3.28Å; L149-R151 PolarHBondContact O-N 3.12Å |
| 150 | L | 45.8 | Very low | 42.9 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 72% | 0.723 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -8.5 | 174.2 | -93.6 | 102.8 | 0 | 0 | 0 | 114.4 | T146 | T146-L150 HydrophobicContact CG2-CD1 3.73Å; T146-L150 WeakPolarHBondContact O-CD1 3.38Å; T146-L150 PolarHBondContact O-N 3.41Å |
| 151 | R | 42.2 | Very low | 42.9 | Very low | 228 Ų | 228 | 127.8 Ų | 127.8 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 4.9 | 179.7 | -161.4 | 158.1 | -178.6 | 121 | -0.3 | 115.6 | L149 K153 | L149-R151 VanDerWaalsContact C-N 3.28Å; L149-R151 PolarHBondContact O-N 3.12Å; R151-K153 VanDerWaalsContact C-N 3.3Å; R151-K153 PolarHBondContact O-N 2.95Å |
| 152 | S | 43.4 | Very low | 42.4 | Very low | 89 Ų | 89 | 132.1 Ų | 132.1 | 62% | 0.622 | 71% | 0.707 | S | S | * | * | trans | -92.6 | 55.9 | 170.3 | 62 | 0 | 0 | 0 | 0 | 112.5 | S154 | S152-S154 VanDerWaalsContact C-N 3.27Å; S152-S154 PolarHBondContact O-N 2.72Å; S152-S154 VanDerWaalsContact O-N 3.1Å | ||
| 153 | K | 42.1 | Very low | 42.2 | Very low | 203 Ų | 203 | 135.6 Ų | 135.6 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | trans | -82.6 | 73.1 | 168.7 | -166.6 | 178 | 171 | -170.4 | 0 | 109.1 | R151 | R151-K153 VanDerWaalsContact C-N 3.3Å; R151-K153 PolarHBondContact O-N 2.95Å | ||
| 154 | S | 42.3 | Very low | 41.2 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | trans | -179.8 | 80.8 | 160.8 | 36.4 | 0 | 0 | 0 | 0 | 109.3 | S152 S156 | S152-S154 VanDerWaalsContact C-N 3.27Å; S152-S154 PolarHBondContact O-N 2.72Å; S152-S154 VanDerWaalsContact O-N 3.1Å; S154-S156 PolarHBondContact O-N 3.5Å | ||
| 155 | G | 40 | Very low | 40.3 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 95% | 0.948 | 73% | 0.734 | S | S | * | * | trans | -75.6 | 74.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 156 | S | 37.7 | Very low | 39.6 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 58% | 0.58 | 75% | 0.75 | S | S | * | * | trans | -126.9 | 100.2 | 163.1 | -138.6 | 0 | 0 | 0 | 0 | 106.1 | S154 D158 | S154-S156 PolarHBondContact O-N 3.5Å; S156-D158 WeakPolarHBondContact CB-OD2 3.04Å; S156-D158 PolarHBondContact O-N 3.22Å; S156-D158 PolarHBondContact OG-OD2 2.95Å | ||
| 157 | A | 34.8 | Very low | 38.8 | Very low | 88 Ų | 88 | 133 Ų | 133 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -79.9 | 66 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109 | N159 | A157-N159 VanDerWaalsContact C-N 3.3Š| ||
| 158 | D | 41.7 | Very low | 38.1 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | trans | -89.2 | 5.5 | 176 | -67.9 | -49.9 | 0 | 0 | 0 | 112.6 | S156 | S156-D158 WeakPolarHBondContact CB-OD2 3.04Å; S156-D158 PolarHBondContact O-N 3.22Å; S156-D158 PolarHBondContact OG-OD2 2.95Å | ||
| 159 | N | 42.6 | Very low | 37.2 | Very low | 150 Ų | 150 | 125.7 Ų | 125.7 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -120.9 | 48.8 | 179.6 | -65.8 | -34.9 | 0 | 0 | 0 | 113 | A157 P161 | A157-N159 VanDerWaalsContact C-N 3.3Å; N159-P161 VanDerWaalsContact C-CD 3.49Å; N159-P161 WeakPolarHBondContact O-CD 3.19Å | ||
| 160 | L | 37.2 | Very low | 36.6 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | -109 | 89.5 | 158.9 | -66.8 | 178 | 0 | 0 | 0 | 108.4 | F162 | L160-F162 PolarHBondContact O-N 3.48Š| ||
| 161 | P | 37.8 | Very low | 35.9 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -63.8 | 98.5 | 156.8 | 27.6 | -28.3 | 0 | 0 | 0 | 106 | N159 L163 | N159-P161 VanDerWaalsContact C-CD 3.49Å; N159-P161 WeakPolarHBondContact O-CD 3.19Å; P161-L163 PolarHBondContact O-N 3.45Å | ||
| 162 | F | 35.5 | Very low | 35.1 | Very low | 190 Ų | 190 | 125.9 Ų | 125.9 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | trans | -60.2 | 111.7 | 178.2 | 176.6 | -100.1 | 0 | 0 | 0 | 108.8 | L160 S164 | L160-F162 PolarHBondContact O-N 3.48Å; F162-S164 PolarHBondContact O-N 2.96Å | ||
| 163 | L | 34 | Very low | 34.5 | Very low | 151 Ų | 151 | 127 Ų | 127 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -20.4 | 100 | 165.3 | -61 | 166.9 | 0 | 0 | 0 | 112.9 | P161 | P161-L163 PolarHBondContact O-N 3.45Š| ||
| 164 | S | 28.9 | Very low | 34.2 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -111.4 | 129.3 | 154.2 | 176.7 | 0 | 0 | 0 | 0 | 107.5 | F162 | F162-S164 PolarHBondContact O-N 2.96Š| ||
| 165 | A | 32.4 | Very low | 33.6 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 78.9 | 86.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 166 | G | 30.7 | Very low | 33.1 | Very low | 82 Ų | 82 | 133.2 Ų | 133.2 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | 96.3 | 83.8 | 122.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 167 | A | 29.8 | Very low | 32.9 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -150.9 | 123.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 168 | A | 30 | Very low | 32.7 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -64.1 | 130.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 169 | S | 28 | Very low | 32.7 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -170.6 | 72.3 | 143.3 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 170 | H | 31.1 | Very low | 32.1 | Very low | 188 Ų | 188 | 134.9 Ų | 134.9 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | -110.6 | 113.1 | 167.9 | -86.7 | -69 | 0 | 0 | 0 | 110.4 | ||||
| 171 | S | 31.2 | Very low | 31.9 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -53.8 | 135.6 | 165.8 | 50 | 0 | 0 | 0 | 0 | 110.8 | S173 | S171-S173 PolarHBondContact O-N 3.47Š| ||
| 172 | F | 26.9 | Very low | 31.4 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -55.9 | 126 | 179.4 | -93.8 | -107.8 | 0 | 0 | 0 | 112.3 | ||||
| 173 | S | 29.8 | Very low | 31.2 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -155.3 | 104.9 | 149.2 | -77 | 0 | 0 | 0 | 0 | 108.2 | S171 K175 | S171-S173 PolarHBondContact O-N 3.47Å; S173-K175 PolarHBondContact O-N 3.27Å | ||
| 174 | P | 36.8 | Very low | 31.3 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -85.8 | 115.2 | -169.8 | 32.7 | -29.9 | 0 | 0 | 0 | 109.8 | ||||
| 175 | K | 29.4 | Very low | 31.5 | Very low | 202 Ų | 202 | 140.6 Ų | 140.6 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | trans | -123.2 | 101.5 | 156.8 | -78.8 | -176.1 | 179.8 | 176.2 | 0 | 108.3 | S173 V177 | S173-K175 PolarHBondContact O-N 3.27Å; K175-V177 PolarHBondContact O-N 3.09Å | ||
| 176 | F | 28 | Very low | 31.5 | Very low | 208 Ų | 208 | 145.5 Ų | 145.5 | 91% | 0.912 | 82% | 0.818 | S | S | * | * | trans | -66.3 | 111.6 | 173.7 | -176.8 | -93.8 | 0 | 0 | 0 | 109.7 | ||||
| 177 | V | 33.6 | Very low | 31.7 | Very low | 138 Ų | 138 | 151.9 Ų | 151.9 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | trans | -145.8 | 108 | 163.1 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | K175 | K175-V177 PolarHBondContact O-N 3.09Š| ||
| 178 | G | 32.4 | Very low | 31.9 | Very low | 60 Ų | 60 | 153.3 Ų | 153.3 | 62% | 0.619 | 82% | 0.817 | S | S | * | * | trans | 81.3 | 124.2 | 140.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 179 | P | 40.9 | Very low | 31.9 | Very low | 128 Ų | 128 | 152.4 Ų | 152.4 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | trans | -92.8 | 119.9 | 172.5 | 34.5 | -25.4 | 0 | 0 | 0 | 110.8 | ||||
| 180 | E | 30.8 | Very low | 32.4 | Very low | 157 Ų | 157 | 152.4 Ų | 152.4 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -129.3 | 101.9 | 159.9 | -88.4 | -122.7 | 141 | 0 | 0 | 109.5 | K182 | E180-K182 IonicContact OE1-NZ 3.99Å; E180-K182 IonicContact OE2-NZ 2.7Å; E180-K182 PolarHBondContact OE2-NZ 3.34Å | ||
| 181 | R | 31.3 | Very low | 32.5 | Very low | 242 Ų | 242 | 152.9 Ų | 152.9 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -63.6 | 122.2 | 164.4 | -65.6 | 174 | -176.3 | 147.8 | -0.7 | 109.2 | ||||
| 182 | K | 28.7 | Very low | 32.8 | Very low | 158 Ų | 158 | 154.4 Ų | 154.4 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | trans | -143.1 | 92.2 | 155.6 | -66.7 | -173.2 | 172.4 | 133.1 | 0 | 108.8 | E180 | E180-K182 IonicContact OE1-NZ 3.99Å; E180-K182 IonicContact OE2-NZ 2.7Å; E180-K182 PolarHBondContact OE2-NZ 3.34Å | ||
| 183 | Q | 31.3 | Very low | 33.2 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | 60.8 | 84.2 | 115.6 | -82.1 | 175.4 | -13.6 | 0 | 0 | 113.9 | V185 | Q183-V185 PolarHBondContact O-N 2.93Š| |||
| 184 | S | 34.6 | Very low | 33.6 | Very low | 124 Ų | 124 | 158.2 Ų | 158.2 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -73.3 | 114.2 | 158.4 | 57.8 | 0 | 0 | 0 | 0 | 108.9 | F186 | S184-F186 PolarHBondContact O-N 2.94Š| ||
| 185 | V | 33.1 | Very low | 33.5 | Very low | 129 Ų | 129 | 163.5 Ų | 163.5 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | trans | -61.5 | 117.6 | 176.6 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | Q183 | Q183-V185 PolarHBondContact O-N 2.93Š| ||
| 186 | F | 32.7 | Very low | 33.5 | Very low | 201 Ų | 201 | 161.1 Ų | 161.1 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -170.6 | 85 | 144.4 | -102.9 | -75.6 | 0 | 0 | 0 | 107.1 | S184 | S184-F186 PolarHBondContact O-N 2.94Š| ||
| 187 | Y | 34.8 | Very low | 33.6 | Very low | 217 Ų | 217 | 159.1 Ų | 159.1 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -105.5 | 108.4 | 167 | -114.9 | -86.4 | 0 | 0 | 0 | 107.5 | S189 | Y187-S189 PolarHBondContact O-N 3.23Š| ||
| 188 | V | 34.5 | Very low | 33.4 | Very low | 132 Ų | 132 | 161.9 Ų | 161.9 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -75.9 | 97 | 156.8 | 175.3 | 0 | 0 | 0 | 0 | 105.2 | P190 | V188-P190 VanDerWaalsContact O-CD 3.29Å; V188-P190 WeakPolarHBondContact O-CD 3.41Å | ||
| 189 | S | 30.2 | Very low | 33.3 | Very low | 85 Ų | 85 | 162.7 Ų | 162.7 | 59% | 0.594 | 80% | 0.803 | S | S | * | * | trans | -73 | 116.8 | 172 | -68.2 | 0 | 0 | 0 | 0 | 109.1 | Y187 K191 | Y187-S189 PolarHBondContact O-N 3.23Å; S189-K191 PolarHBondContact O-N 2.85Å; S189-K191 VanDerWaalsContact O-N 3.13Å | ||
| 190 | P | 38.7 | Very low | 32.7 | Very low | 107 Ų | 107 | 165 Ų | 165 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | trans | -71 | 109.8 | 164.4 | 0.4 | 17.4 | 0 | 0 | 0 | 106.1 | V188 I192 | V188-P190 VanDerWaalsContact O-CD 3.29Å; V188-P190 WeakPolarHBondContact O-CD 3.41Å; P190-I192 PolarHBondContact O-N 3.37Å | ||
| 191 | K | 32.9 | Very low | 32.6 | Very low | 199 Ų | 199 | 163 Ų | 163 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | trans | -65.6 | 89.7 | 169.3 | -71.9 | 178 | 178.5 | 176.1 | 0 | 108 | S189 D193 | S189-K191 PolarHBondContact O-N 2.85Å; S189-K191 VanDerWaalsContact O-N 3.13Å; K191-D193 PolarHBondContact O-N 3.05Å | ||
| 192 | I | 38 | Very low | 32.5 | Very low | 144 Ų | 144 | 158.8 Ų | 158.8 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | -84.9 | 94.9 | 160.9 | -59 | 174.7 | 0 | 0 | 0 | 105 | P190 R194 | P190-I192 PolarHBondContact O-N 3.37Å; I192-R194 VanDerWaalsContact C-N 3.31Å; I192-R194 PolarHBondContact O-N 3.12Å | ||
| 193 | D | 34.4 | Very low | 32.4 | Very low | 156 Ų | 156 | 159.8 Ų | 159.8 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -62.7 | 93.7 | 170.2 | -102.1 | -29.6 | 0 | 0 | 0 | 108.6 | K191 R195 | K191-D193 PolarHBondContact O-N 3.05Å; D193-R195 VanDerWaalsContact C-N 3.35Å; D193-R195 PolarHBondContact O-N 3.39Å; D193-R195 VanDerWaalsContact O-N 3.09Å | ||
| 194 | R | 38.1 | Very low | 32.3 | Very low | 232 Ų | 232 | 159.3 Ų | 159.3 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | -79.2 | 85.7 | 171.3 | -169.5 | -177.1 | -70.6 | -168.4 | -2.6 | 108.3 | I192 Q196 | I192-R194 VanDerWaalsContact C-N 3.31Å; I192-R194 PolarHBondContact O-N 3.12Å; R194-Q196 PolarHBondContact O-N 3.36Å | ||
| 195 | R | 34.6 | Very low | 32.1 | Very low | 230 Ų | 230 | 162.6 Ų | 162.6 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -67 | 108.2 | 165 | -102.8 | -170.5 | -178.6 | -164.8 | 1.8 | 110 | D193 | D193-R195 VanDerWaalsContact C-N 3.35Å; D193-R195 PolarHBondContact O-N 3.39Å; D193-R195 VanDerWaalsContact O-N 3.09Å | ||
| 196 | Q | 29.8 | Very low | 32.1 | Very low | 153 Ų | 153 | 162.4 Ų | 162.4 | 72% | 0.715 | 80% | 0.799 | S | S | * | * | trans | 45.2 | 123.1 | 134.8 | -69 | -178.3 | -6.7 | 0 | 0 | 122 | R194 | R194-Q196 PolarHBondContact O-N 3.36Š| ||
| 197 | Q | 29.6 | Very low | 31.9 | Very low | 165 Ų | 165 | 160.9 Ų | 160.9 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | 71 | 109.6 | 130 | -66.8 | 176.2 | 12.1 | 0 | 0 | 120.4 | |||||
| 198 | Q | 30.4 | Very low | 31.7 | Very low | 197 Ų | 197 | 156 Ų | 156 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | -176.1 | 121.7 | 120.5 | -97.7 | 165.6 | -1.1 | 0 | 0 | 105.2 | |||||
| 199 | G | 30.4 | Very low | 31.6 | Very low | 76 Ų | 76 | 153.1 Ų | 153.1 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | 101.1 | 88.4 | 56.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 200 | E | 28.8 | Very low | 31.6 | Very low | 178 Ų | 178 | 157.8 Ų | 157.8 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -58.4 | 152.4 | 180 | -74.1 | 172.1 | 151.5 | 0 | 0 | 114 | ||||
| 201 | T | 27.3 | Very low | 31.2 | Very low | 113 Ų | 113 | 161.7 Ų | 161.7 | 69% | 0.693 | 81% | 0.811 | S | S | * | * | trans | 69.4 | 117.8 | 147.8 | 60.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 202 | N | 29.8 | Very low | 31.3 | Very low | 155 Ų | 155 | 160.9 Ų | 160.9 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | -176.3 | 142.2 | 92.6 | -91.2 | -46.8 | 0 | 0 | 0 | 112.5 | |||||
| 203 | E | 27.3 | Very low | 31.4 | Very low | 178 Ų | 178 | 159.4 Ų | 159.4 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -73.5 | 162.6 | 178.2 | -63.6 | 175.5 | 144.4 | 0 | 0 | 112.9 | ||||
| 204 | E | 29.1 | Very low | 32 | Very low | 175 Ų | 175 | 160.5 Ų | 160.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | 58.1 | 109.6 | 154.2 | -74.8 | -171.8 | 141.3 | 0 | 0 | 120.6 | ||||
| 205 | K | 29.3 | Very low | 32.7 | Very low | 192 Ų | 192 | 155 Ų | 155 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | -145.5 | 98.7 | 129.4 | -165.4 | 174.7 | -179.2 | -172.2 | 0 | 110.9 | |||||
| 206 | V | 32.7 | Very low | 33.6 | Very low | 125 Ų | 125 | 146 Ų | 146 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | trans | -70.6 | 117.8 | 159.4 | 174.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 207 | Q | 30.1 | Very low | 34.8 | Very low | 170 Ų | 170 | 145.8 Ų | 145.8 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -159.3 | 123.9 | 139.9 | -148.2 | 136.1 | 3.5 | 0 | 0 | 112.6 | ||||
| 208 | S | 30.5 | Very low | 36.4 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -50.7 | 138.8 | 168.1 | -170 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 209 | G | 31.3 | Very low | 38.5 | Very low | 72 Ų | 72 | 135.6 Ų | 135.6 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | -179.3 | 75.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q211 | G209-Q211 PolarHBondContact O-N 2.89Š| ||
| 210 | Q | 31.1 | Very low | 40.7 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | trans | -54.7 | 123.3 | 165 | -76 | 165.1 | -67.2 | 0 | 0 | 109.8 | ||||
| 211 | Q | 29.6 | Very low | 42.9 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | 172.7 | 145.9 | 121.8 | -95.7 | 171 | -23 | 0 | 0 | 111.4 | G209 | G209-Q211 PolarHBondContact O-N 2.89Š| |||
| 212 | M | 35.1 | Very low | 45.4 | Very low | 181 Ų | 181 | 132.7 Ų | 132.7 | 89% | 0.892 | 73% | 0.727 | S | S | * | * | trans | 87.2 | 83.2 | 169.4 | -133.8 | 100.8 | 110 | 0 | 0 | 117.1 | ||||
| 213 | S | 41 | Very low | 48 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | trans | -56.9 | 126.4 | 157.6 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 214 | E | 46.7 | Very low | 50.8 | Low | 179 Ų | 179 | 126.6 Ų | 126.6 | 84% | 0.836 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 179.9 | -15.8 | 136.9 | -99.5 | 172.6 | -164.1 | 0 | 0 | 111.8 | ||
| 215 | T | 52.2 | Low | 53.5 | Low | 117 Ų | 117 | 121 Ų | 121 | 72% | 0.718 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -81.2 | -21.8 | 169.4 | 20.1 | 0 | 0 | 0 | 0 | 113.9 | H217 A218 T219 | T215-H217 PolarHBondContact O-N 2.99Å; T215-A218 PolarHBondContact O-N 3.45Å; T215-T219 PolarHBondContact O-N 3.12Å; T215-T219 PolarHBondContact O-OG1 2.93Å |
| 216 | G | 53.4 | Low | 56.3 | Low | 42 Ų | 42 | 114.5 Ų | 114.5 | 43% | 0.433 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -66.8 | -34.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A218 T219 E220 | G216-A218 VanDerWaalsContact C-N 3.32Å; G216-A218 PolarHBondContact O-N 3.48Å; G216-T219 PolarHBondContact O-N 2.86Å; G216-T219 PolarHBondContact O-OG1 3.36Å; G216-E220 PolarHBondContact O-N 3.22Å |
| 217 | H | 54.7 | Low | 59.1 | Low | 148 Ų | 148 | 113.3 Ų | 113.3 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.6 | -33.6 | 177.4 | -87.8 | -51.2 | 0 | 0 | 0 | 112.3 | T215 T219 L221 | T215-H217 PolarHBondContact O-N 2.99Å; H217-T219 VanDerWaalsContact C-N 3.34Å; H217-L221 WeakPolarHBondContact O-CB 3.25Å; H217-L221 PolarHBondContact O-N 3.38Å |
| 218 | A | 63.8 | Low | 62 | Low | 68 Ų | 68 | 109.7 Ų | 109.7 | 56% | 0.562 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.5 | -38.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T215 G216 A222 | T215-A218 PolarHBondContact O-N 3.45Å; G216-A218 VanDerWaalsContact C-N 3.32Å; G216-A218 PolarHBondContact O-N 3.48Å; A218-A222 VanDerWaalsContact O-CB 3.27Å; A218-A222 WeakPolarHBondContact O-CB 3.45Å; A218-A222 PolarHBondContact O-N 2.96Å |
| 219 | T | 73.5 | Confident | 64.9 | Low | 79 Ų | 79 | 111.2 Ų | 111.2 | 49% | 0.485 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.2 | -42.9 | 177.4 | -14.3 | 0 | 0 | 0 | 0 | 112.3 | T215 G216 H217 A222 Q223 | T215-T219 PolarHBondContact O-N 3.12Å; T215-T219 PolarHBondContact O-OG1 2.93Å; G216-T219 PolarHBondContact O-N 2.86Å; G216-T219 PolarHBondContact O-OG1 3.36Å; H217-T219 VanDerWaalsContact C-N 3.34Å; T219-A222 PolarHBondContact O-N 3.37Å; T219-Q223 WeakPolarHBondContact O-CG 3.45Å; T219-Q223 PolarHBondContact O-N 3.42Å |
| 220 | E | 76.5 | Confident | 67.8 | Low | 114 Ų | 114 | 112.8 Ų | 112.8 | 53% | 0.533 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.6 | -40.5 | 178.2 | -163.3 | 176.7 | -163.9 | 0 | 0 | 111.1 | G216 A222 Q223 V224 | G216-E220 PolarHBondContact O-N 3.22Å; E220-A222 VanDerWaalsContact C-N 3.31Å; E220-A222 PolarHBondContact O-N 3.03Å; E220-Q223 PolarHBondContact O-N 3.12Å; E220-V224 WeakPolarHBondContact O-CG2 3.49Å; E220-V224 PolarHBondContact O-N 3.43Å |
| 221 | L | 76.2 | Confident | 70.8 | Confident | 133 Ų | 133 | 107.6 Ų | 107.6 | 70% | 0.696 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.5 | -38.9 | 173 | -160.4 | 94.5 | 0 | 0 | 0 | 111.5 | H217 V224 A225 | H217-L221 WeakPolarHBondContact O-CB 3.25Å; H217-L221 PolarHBondContact O-N 3.38Å; L221-V224 PolarHBondContact O-N 3.19Å; L221-A225 VanDerWaalsContact O-CB 3.27Å; L221-A225 WeakPolarHBondContact O-CB 3.27Å; L221-A225 PolarHBondContact O-N 3.18Å |
| 222 | A | 79.5 | Confident | 73.8 | Confident | 59 Ų | 59 | 100.5 Ų | 100.5 | 49% | 0.488 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.4 | -39 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A218 T219 E220 A225 S226 | A218-A222 VanDerWaalsContact O-CB 3.27Å; A218-A222 WeakPolarHBondContact O-CB 3.45Å; A218-A222 PolarHBondContact O-N 2.96Å; T219-A222 PolarHBondContact O-N 3.37Å; E220-A222 VanDerWaalsContact C-N 3.31Å; E220-A222 PolarHBondContact O-N 3.03Å; A222-A225 PolarHBondContact O-N 2.86Å; A222-S226 WeakPolarHBondContact O-CB 3.49Å; A222-S226 PolarHBondContact O-N 3.24Å |
| 223 | Q | 84.3 | Confident | 76.6 | Confident | 121 Ų | 121 | 97.1 Ų | 97.1 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66 | -44.5 | 174.5 | -73.6 | 176 | 14.3 | 0 | 0 | 111.8 | T219 E220 A225 S226 L227 | T219-Q223 WeakPolarHBondContact O-CG 3.45Å; T219-Q223 PolarHBondContact O-N 3.42Å; E220-Q223 PolarHBondContact O-N 3.12Å; Q223-A225 VanDerWaalsContact C-N 3.32Å; Q223-A225 PolarHBondContact O-N 3.46Å; Q223-S226 PolarHBondContact O-N 3.1Å; Q223-L227 WeakPolarHBondContact O-CG 3.42Å; Q223-L227 PolarHBondContact O-N 3.42Å |
| 224 | V | 85.6 | Confident | 79.1 | Confident | 84 Ų | 84 | 97.1 Ų | 97.1 | 51% | 0.509 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64 | -39 | 176 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | E220 L221 L227 T228 | E220-V224 WeakPolarHBondContact O-CG2 3.49Å; E220-V224 PolarHBondContact O-N 3.43Å; L221-V224 PolarHBondContact O-N 3.19Å; V224-L227 PolarHBondContact O-N 3.18Å; V224-T228 WeakPolarHBondContact O-CB 3.33Å; V224-T228 PolarHBondContact O-N 2.8Å; V224-T228 PolarHBondContact O-OG1 3.06Å |
| 225 | A | 86.6 | Confident | 81.4 | Confident | 57 Ų | 57 | 97.6 Ų | 97.6 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L221 A222 Q223 T228 E229 | L221-A225 VanDerWaalsContact O-CB 3.27Å; L221-A225 WeakPolarHBondContact O-CB 3.27Å; L221-A225 PolarHBondContact O-N 3.18Å; A222-A225 PolarHBondContact O-N 2.86Å; Q223-A225 VanDerWaalsContact C-N 3.32Å; Q223-A225 PolarHBondContact O-N 3.46Å; A225-T228 WeakPolarHBondContact O-CB 3.38Å; A225-T228 PolarHBondContact O-N 2.91Å; A225-E229 PolarHBondContact O-N 3.21Å |
| 226 | S | 88.6 | Confident | 83.5 | Confident | 56 Ų | 56 | 94.9 Ų | 94.9 | 39% | 0.392 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 175.6 | -171.6 | 0 | 0 | 0 | 0 | 112 | A222 Q223 T228 E229 E230 | A222-S226 WeakPolarHBondContact O-CB 3.49Å; A222-S226 PolarHBondContact O-N 3.24Å; Q223-S226 PolarHBondContact O-N 3.1Å; S226-T228 VanDerWaalsContact C-N 3.3Å; S226-T228 PolarHBondContact O-N 3.1Å; S226-E229 WeakPolarHBondContact O-CB 3.33Å; S226-E229 PolarHBondContact O-N 3.45Å; S226-E230 WeakPolarHBondContact O-CG 3.38Å; S226-E230 PolarHBondContact O-N 3.5Å |
| 227 | L | 90.8 | Very high | 85.5 | Confident | 101 Ų | 101 | 96.8 Ų | 96.8 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.5 | -35.1 | 177.1 | -72.1 | 173.7 | 0 | 0 | 0 | 112.2 | Q223 V224 E230 V231 | Q223-L227 WeakPolarHBondContact O-CG 3.42Å; Q223-L227 PolarHBondContact O-N 3.42Å; V224-L227 PolarHBondContact O-N 3.18Å; L227-E230 PolarHBondContact O-N 2.92Å; L227-V231 VanDerWaalsContact O-CG2 3.3Å; L227-V231 WeakPolarHBondContact O-CG2 3.5Å; L227-V231 PolarHBondContact O-N 3Å |
| 228 | T | 91.6 | Very high | 87.4 | Confident | 93 Ų | 93 | 96.2 Ų | 96.2 | 57% | 0.571 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67 | -39.5 | 175.9 | -56.3 | 0 | 0 | 0 | 0 | 111 | V224 A225 S226 G232 | V224-T228 WeakPolarHBondContact O-CB 3.33Å; V224-T228 PolarHBondContact O-N 2.8Å; V224-T228 PolarHBondContact O-OG1 3.06Å; A225-T228 WeakPolarHBondContact O-CB 3.38Å; A225-T228 PolarHBondContact O-N 2.91Å; S226-T228 VanDerWaalsContact C-N 3.3Å; S226-T228 PolarHBondContact O-N 3.1Å; T228-G232 PolarHBondContact O-N 2.92Å |
| 229 | E | 90.8 | Very high | 88.9 | Confident | 147 Ų | 147 | 96.9 Ų | 96.9 | 69% | 0.687 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 173.1 | -175.1 | 173.8 | -170.9 | 0 | 0 | 111.4 | A225 S226 V231 G232 Q233 | A225-E229 PolarHBondContact O-N 3.21Å; S226-E229 WeakPolarHBondContact O-CB 3.33Å; S226-E229 PolarHBondContact O-N 3.45Å; E229-V231 PolarHBondContact O-N 2.82Å; E229-G232 CarbonylContact O-C 3.55Å; E229-G232 WeakPolarHBondContact O-CA 3.3Å; E229-G232 PolarHBondContact O-N 3.2Å; E229-G232 VanDerWaalsContact O-N 3.11Å; E229-Q233 WeakPolarHBondContact O-CB 3.5Å; E229-Q233 PolarHBondContact O-N 3.34Å |
| 230 | E | 93.2 | Very high | 90 | Very high | 104 Ų | 104 | 96.4 Ų | 96.4 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 175.1 | -75 | 176.9 | -156.7 | 0 | 0 | 112.1 | S226 L227 G232 Q233 L234 | S226-E230 WeakPolarHBondContact O-CG 3.38Å; S226-E230 PolarHBondContact O-N 3.5Å; L227-E230 PolarHBondContact O-N 2.92Å; E230-G232 VanDerWaalsContact C-N 3.28Å; E230-G232 PolarHBondContact O-N 3.25Å; E230-Q233 PolarHBondContact O-N 2.94Å; E230-L234 WeakPolarHBondContact O-CB 3.41Å; E230-L234 WeakPolarHBondContact O-CD1 3.42Å; E230-L234 PolarHBondContact O-N 3.14Å |
| 231 | V | 93 | Very high | 90.9 | Very high | 75 Ų | 75 | 96 Ų | 96 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 175.2 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | L227 E229 R235 | L227-V231 VanDerWaalsContact O-CG2 3.3Å; L227-V231 WeakPolarHBondContact O-CG2 3.5Å; L227-V231 PolarHBondContact O-N 3Å; E229-V231 PolarHBondContact O-N 2.82Å; V231-R235 WeakPolarHBondContact O-CB 3.45Å; V231-R235 VanDerWaalsContact O-CG 3.26Å; V231-R235 WeakPolarHBondContact O-CG 3.47Å; V231-R235 PolarHBondContact O-N 2.9Å |
| 232 | G | 92.7 | Very high | 91.9 | Very high | 40 Ų | 40 | 93 Ų | 93 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T228 E229 E230 R235 S236 | T228-G232 PolarHBondContact O-N 2.92Å; E229-G232 CarbonylContact O-C 3.55Å; E229-G232 WeakPolarHBondContact O-CA 3.3Å; E229-G232 PolarHBondContact O-N 3.2Å; E229-G232 VanDerWaalsContact O-N 3.11Å; E230-G232 VanDerWaalsContact C-N 3.28Å; E230-G232 PolarHBondContact O-N 3.25Å; G232-R235 PolarHBondContact O-N 2.74Å; G232-S236 PolarHBondContact O-N 3.01Å |
| 233 | Q | 93.5 | Very high | 92.7 | Very high | 109 Ų | 109 | 96.3 Ų | 96.3 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 177.6 | -171.5 | 61.6 | 32.3 | 0 | 0 | 111.3 | E229 E230 R235 S236 D237 | E229-Q233 WeakPolarHBondContact O-CB 3.5Å; E229-Q233 PolarHBondContact O-N 3.34Å; E230-Q233 PolarHBondContact O-N 2.94Å; Q233-R235 VanDerWaalsContact C-N 3.29Å; Q233-R235 PolarHBondContact O-N 3.11Å; Q233-S236 CarbonylContact O-C 3.59Å; Q233-S236 WeakPolarHBondContact O-CA 3.3Å; Q233-S236 WeakPolarHBondContact O-CB 3.38Å; Q233-S236 PolarHBondContact O-N 3.26Å; Q233-S236 VanDerWaalsContact O-N 3.09Å; Q233-D237 PolarHBondContact NE2-OD1 3.32Å; Q233-D237 WeakPolarHBondContact O-CB 3.34Å; Q233-D237 PolarHBondContact O-N 2.98Å |
| 234 | L | 94.7 | Very high | 93.3 | Very high | 114 Ų | 114 | 94.3 Ų | 94.3 | 60% | 0.597 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58 | -38.4 | 174.8 | -89.2 | 145.8 | 0 | 0 | 0 | 112.5 | E230 H238 | E230-L234 WeakPolarHBondContact O-CB 3.41Å; E230-L234 WeakPolarHBondContact O-CD1 3.42Å; E230-L234 PolarHBondContact O-N 3.14Å; L234-H238 VanDerWaalsContact O-CB 3.31Å; L234-H238 WeakPolarHBondContact O-CB 3.48Å; L234-H238 PolarHBondContact O-N 2.98Å |
| 235 | R | 95.2 | Very high | 93.8 | Very high | 189 Ų | 189 | 94.5 Ų | 94.5 | 71% | 0.713 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.8 | -40.9 | 174.4 | -76.8 | 175.7 | -179.2 | -135.3 | 2.3 | 112.1 | V231 G232 Q233 H238 C239 | V231-R235 WeakPolarHBondContact O-CB 3.45Å; V231-R235 VanDerWaalsContact O-CG 3.26Å; V231-R235 WeakPolarHBondContact O-CG 3.47Å; V231-R235 PolarHBondContact O-N 2.9Å; G232-R235 PolarHBondContact O-N 2.74Å; Q233-R235 VanDerWaalsContact C-N 3.29Å; Q233-R235 PolarHBondContact O-N 3.11Å; R235-H238 PolarHBondContact O-N 3.5Å; R235-C239 PolarHBondContact O-N 3.42Å |
| 236 | S | 94.8 | Very high | 94.3 | Very high | 60 Ų | 60 | 94.4 Ų | 94.4 | 42% | 0.42 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 173.8 | -179.3 | 0 | 0 | 0 | 0 | 111 | G232 Q233 H238 C239 V240 | G232-S236 PolarHBondContact O-N 3.01Å; Q233-S236 CarbonylContact O-C 3.59Å; Q233-S236 WeakPolarHBondContact O-CA 3.3Å; Q233-S236 WeakPolarHBondContact O-CB 3.38Å; Q233-S236 PolarHBondContact O-N 3.26Å; Q233-S236 VanDerWaalsContact O-N 3.09Å; S236-H238 VanDerWaalsContact C-N 3.32Å; S236-H238 PolarHBondContact O-N 2.98Å; S236-C239 WeakPolarHBondContact O-CA 3.46Å; S236-C239 WeakPolarHBondContact O-CB 3.48Å; S236-C239 PolarHBondContact O-N 3.5Å; S236-V240 WeakPolarHBondContact O-CG2 3.29Å; S236-V240 PolarHBondContact O-N 3.45Å |
| 237 | D | 95.5 | Very high | 94.7 | Very high | 82 Ų | 82 | 94.1 Ų | 94.1 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 178.2 | -66.6 | -10.9 | 0 | 0 | 0 | 111.4 | Q233 C239 V240 L241 | Q233-D237 PolarHBondContact NE2-OD1 3.32Å; Q233-D237 WeakPolarHBondContact O-CB 3.34Å; Q233-D237 PolarHBondContact O-N 2.98Å; D237-C239 VanDerWaalsContact C-N 3.35Å; D237-V240 PolarHBondContact O-N 2.96Å; D237-L241 VanDerWaalsContact O-CB 3.26Å; D237-L241 WeakPolarHBondContact O-CB 3.47Å; D237-L241 PolarHBondContact O-N 3.22Å |
| 238 | H | 95.5 | Very high | 95 | Very high | 135 Ų | 135 | 94 Ų | 94 | 63% | 0.625 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -38.8 | 172.9 | -179 | -83.1 | 0 | 0 | 0 | 112.2 | L234 R235 S236 L241 S242 | L234-H238 VanDerWaalsContact O-CB 3.31Å; L234-H238 WeakPolarHBondContact O-CB 3.48Å; L234-H238 PolarHBondContact O-N 2.98Å; R235-H238 PolarHBondContact O-N 3.5Å; S236-H238 VanDerWaalsContact C-N 3.32Å; S236-H238 PolarHBondContact O-N 2.98Å; H238-L241 PolarHBondContact O-N 3.48Å; H238-S242 VanDerWaalsContact O-CB 3.29Å; H238-S242 WeakPolarHBondContact O-CB 3.46Å; H238-S242 PolarHBondContact O-N 3Å |
| 239 | C | 94.9 | Very high | 95.3 | Very high | 82 Ų | 82 | 97.9 Ų | 97.9 | 55% | 0.554 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.5 | -48.1 | 175.7 | -171.7 | 0 | 0 | 0 | 0 | 111.1 | R235 S236 D237 L241 S242 E243 | R235-C239 PolarHBondContact O-N 3.42Å; S236-C239 WeakPolarHBondContact O-CA 3.46Å; S236-C239 WeakPolarHBondContact O-CB 3.48Å; S236-C239 PolarHBondContact O-N 3.5Å; D237-C239 VanDerWaalsContact C-N 3.35Å; C239-L241 PolarHBondContact O-N 3.45Å; C239-S242 PolarHBondContact O-N 2.87Å; C239-E243 PolarHBondContact O-N 3.34Å |
| 240 | V | 95.9 | Very high | 95.6 | Very high | 70 Ų | 70 | 95.7 Ų | 95.7 | 42% | 0.424 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 176.1 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | S236 D237 E243 N244 | S236-V240 WeakPolarHBondContact O-CG2 3.29Å; S236-V240 PolarHBondContact O-N 3.45Å; D237-V240 PolarHBondContact O-N 2.96Å; V240-E243 PolarHBondContact O-N 3.25Å; V240-N244 WeakPolarHBondContact O-CB 3.27Å; V240-N244 PolarHBondContact O-N 3Å; V240-N244 PolarHBondContact O-ND2 2.83Å |
| 241 | L | 96 | Very high | 95.8 | Very high | 106 Ų | 106 | 96 Ų | 96 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 176.8 | -177.9 | 61.4 | 0 | 0 | 0 | 111.6 | D237 H238 C239 N244 V245 | D237-L241 VanDerWaalsContact O-CB 3.26Å; D237-L241 WeakPolarHBondContact O-CB 3.47Å; D237-L241 PolarHBondContact O-N 3.22Å; H238-L241 PolarHBondContact O-N 3.48Å; C239-L241 PolarHBondContact O-N 3.45Å; L241-N244 PolarHBondContact O-N 3.26Å; L241-V245 HydrophobicContact CD1-CG2 4.44Å; L241-V245 VanDerWaalsContact O-CG2 3.29Å; L241-V245 WeakPolarHBondContact O-CG2 3.12Å; L241-V245 PolarHBondContact O-N 3.35Å |
| 242 | S | 96.5 | Very high | 95.9 | Very high | 69 Ų | 69 | 98.3 Ų | 98.3 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 176.3 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | H238 C239 V245 S246 | H238-S242 VanDerWaalsContact O-CB 3.29Å; H238-S242 WeakPolarHBondContact O-CB 3.46Å; H238-S242 PolarHBondContact O-N 3Å; C239-S242 PolarHBondContact O-N 2.87Å; S242-V245 PolarHBondContact O-N 3.34Å; S242-S246 PolarHBondContact O-N 3.13Å |
| 243 | E | 96.6 | Very high | 96.1 | Very high | 128 Ų | 128 | 101.1 Ų | 101.1 | 60% | 0.598 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.2 | -47.7 | 173.8 | -172.4 | 175.1 | -174.9 | 0 | 0 | 111.2 | C239 V240 V245 S246 S247 | C239-E243 PolarHBondContact O-N 3.34Å; V240-E243 PolarHBondContact O-N 3.25Å; E243-V245 VanDerWaalsContact C-N 3.35Å; E243-V245 PolarHBondContact O-N 2.82Å; E243-S246 PolarHBondContact O-N 2.95Å; E243-S246 VanDerWaalsContact O-N 3.13Å; E243-S246 PolarHBondContact O-OG 2.87Å; E243-S247 WeakPolarHBondContact O-CB 3.37Å; E243-S247 PolarHBondContact O-N 3.1Å |
| 244 | N | 96.6 | Very high | 96.3 | Very high | 80 Ų | 80 | 102 Ų | 102 | 43% | 0.428 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 176.6 | -72.8 | -28.8 | 0 | 0 | 0 | 112.5 | V240 L241 S246 S247 I248 | V240-N244 WeakPolarHBondContact O-CB 3.27Å; V240-N244 PolarHBondContact O-N 3Å; V240-N244 PolarHBondContact O-ND2 2.83Å; L241-N244 PolarHBondContact O-N 3.26Å; N244-S246 VanDerWaalsContact C-N 3.34Å; N244-S246 PolarHBondContact O-N 2.99Å; N244-S247 PolarHBondContact O-N 3.29Å; N244-I248 WeakPolarHBondContact O-CB 3.35Å; N244-I248 VanDerWaalsContact O-CG1 3.24Å; N244-I248 WeakPolarHBondContact O-CG1 3.45Å; N244-I248 PolarHBondContact O-N 2.86Å |
| 245 | V | 96.8 | Very high | 96.4 | Very high | 88 Ų | 88 | 101 Ų | 101 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 176 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | L241 S242 E243 R249 | L241-V245 HydrophobicContact CD1-CG2 4.44Å; L241-V245 VanDerWaalsContact O-CG2 3.29Å; L241-V245 WeakPolarHBondContact O-CG2 3.12Å; L241-V245 PolarHBondContact O-N 3.35Å; S242-V245 PolarHBondContact O-N 3.34Å; E243-V245 VanDerWaalsContact C-N 3.35Å; E243-V245 PolarHBondContact O-N 2.82Å; V245-R249 WeakPolarHBondContact O-CB 3.42Å; V245-R249 PolarHBondContact O-N 3.33Å |
| 246 | S | 96.4 | Very high | 96.5 | Very high | 54 Ų | 54 | 99.6 Ų | 99.6 | 38% | 0.378 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 176.4 | 72.8 | 0 | 0 | 0 | 0 | 112.7 | S242 E243 N244 R249 N250 | S242-S246 PolarHBondContact O-N 3.13Å; E243-S246 PolarHBondContact O-N 2.95Å; E243-S246 VanDerWaalsContact O-N 3.13Å; E243-S246 PolarHBondContact O-OG 2.87Å; N244-S246 VanDerWaalsContact C-N 3.34Å; N244-S246 PolarHBondContact O-N 2.99Å; S246-R249 WeakPolarHBondContact O-CB 3.48Å; S246-R249 PolarHBondContact O-N 3.45Å; S246-N250 WeakPolarHBondContact O-CB 3.45Å; S246-N250 PolarHBondContact O-N 3.48Å; S246-N250 PolarHBondContact O-ND2 2.95Å |
| 247 | S | 97 | Very high | 96.6 | Very high | 50 Ų | 50 | 100.3 Ų | 100.3 | 35% | 0.35 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 175.6 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | E243 N244 R249 N250 Q251 | E243-S247 WeakPolarHBondContact O-CB 3.37Å; E243-S247 PolarHBondContact O-N 3.1Å; N244-S247 PolarHBondContact O-N 3.29Å; S247-R249 VanDerWaalsContact C-N 3.34Å; S247-R249 PolarHBondContact O-N 2.98Å; S247-N250 PolarHBondContact O-N 2.93Å; S247-Q251 WeakPolarHBondContact O-CG 3.41Å; S247-Q251 PolarHBondContact O-N 3.36Å |
| 248 | I | 97.3 | Very high | 96.7 | Very high | 99 Ų | 99 | 103.8 Ų | 103.8 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 175.6 | -68.9 | 165.7 | 0 | 0 | 0 | 110.7 | N244 N250 Q251 M252 | N244-I248 WeakPolarHBondContact O-CB 3.35Å; N244-I248 VanDerWaalsContact O-CG1 3.24Å; N244-I248 WeakPolarHBondContact O-CG1 3.45Å; N244-I248 PolarHBondContact O-N 2.86Å; I248-N250 VanDerWaalsContact C-N 3.32Å; I248-N250 PolarHBondContact O-N 3.12Å; I248-Q251 PolarHBondContact O-N 3.45Å; I248-M252 HydrophobicContact CG2-CG 4.35Å; I248-M252 WeakPolarHBondContact O-CB 3.31Å; I248-M252 VanDerWaalsContact O-CG 3.31Å; I248-M252 WeakPolarHBondContact O-CG 3.49Å; I248-M252 PolarHBondContact O-N 2.89Å |
| 249 | R | 97.6 | Very high | 96.8 | Very high | 175 Ų | 175 | 103.5 Ų | 103.5 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.9 | -44.6 | 175.8 | -175.7 | -171.4 | -176.3 | 103.7 | 0.9 | 111.2 | V245 S246 S247 M252 L253 | V245-R249 WeakPolarHBondContact O-CB 3.42Å; V245-R249 PolarHBondContact O-N 3.33Å; S246-R249 WeakPolarHBondContact O-CB 3.48Å; S246-R249 PolarHBondContact O-N 3.45Å; S247-R249 VanDerWaalsContact C-N 3.34Å; S247-R249 PolarHBondContact O-N 2.98Å; R249-M252 PolarHBondContact O-N 3.07Å; R249-L253 HydrophobicContact CG-CD1 4.28Å; R249-L253 WeakPolarHBondContact O-CG 3.38Å; R249-L253 PolarHBondContact O-N 2.98Å |
| 250 | N | 97.1 | Very high | 96.9 | Very high | 100 Ų | 100 | 104.8 Ų | 104.8 | 54% | 0.535 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 179 | -69 | -25 | 0 | 0 | 0 | 111.7 | S246 S247 I248 L253 Q254 | S246-N250 WeakPolarHBondContact O-CB 3.45Å; S246-N250 PolarHBondContact O-N 3.48Å; S246-N250 PolarHBondContact O-ND2 2.95Å; S247-N250 PolarHBondContact O-N 2.93Å; I248-N250 VanDerWaalsContact C-N 3.32Å; I248-N250 PolarHBondContact O-N 3.12Å; N250-L253 PolarHBondContact O-N 2.93Å; N250-Q254 WeakPolarHBondContact O-CB 3.38Å; N250-Q254 PolarHBondContact O-N 3.17Å |
| 251 | Q | 97.3 | Very high | 96.9 | Very high | 110 Ų | 110 | 103.2 Ų | 103.2 | 51% | 0.514 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59 | -47.3 | 173.3 | -72.4 | 176.5 | -6.5 | 0 | 0 | 111.2 | S247 I248 L253 Q254 E255 | S247-Q251 WeakPolarHBondContact O-CG 3.41Å; S247-Q251 PolarHBondContact O-N 3.36Å; I248-Q251 PolarHBondContact O-N 3.45Å; Q251-L253 VanDerWaalsContact C-N 3.34Å; Q251-L253 PolarHBondContact O-N 3.2Å; Q251-Q254 WeakPolarHBondContact O-CB 3.44Å; Q251-Q254 PolarHBondContact O-N 2.9Å; Q251-E255 WeakPolarHBondContact O-CB 3.29Å; Q251-E255 WeakPolarHBondContact O-CG 3.47Å; Q251-E255 PolarHBondContact O-N 3.37Å |
| 252 | M | 95.8 | Very high | 97 | Very high | 125 Ų | 125 | 100 Ų | 100 | 62% | 0.616 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.9 | -41.1 | 177 | -77.1 | -64.1 | -55.6 | 0 | 0 | 112.8 | I248 R249 Y256 | I248-M252 HydrophobicContact CG2-CG 4.35Å; I248-M252 WeakPolarHBondContact O-CB 3.31Å; I248-M252 VanDerWaalsContact O-CG 3.31Å; I248-M252 WeakPolarHBondContact O-CG 3.49Å; I248-M252 PolarHBondContact O-N 2.89Å; R249-M252 PolarHBondContact O-N 3.07Å; M252-Y256 VanDerWaalsContact O-CB 3.23Å; M252-Y256 WeakPolarHBondContact O-CB 3.21Å; M252-Y256 PolarHBondContact O-N 3.41Å |
| 253 | L | 97.5 | Very high | 97 | Very high | 98 Ų | 98 | 102.7 Ų | 102.7 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 176.5 | -73.6 | 171.7 | 0 | 0 | 0 | 111.8 | R249 N250 Q251 Y256 S257 | R249-L253 HydrophobicContact CG-CD1 4.28Å; R249-L253 WeakPolarHBondContact O-CG 3.38Å; R249-L253 PolarHBondContact O-N 2.98Å; N250-L253 PolarHBondContact O-N 2.93Å; Q251-L253 VanDerWaalsContact C-N 3.34Å; Q251-L253 PolarHBondContact O-N 3.2Å; L253-Y256 PolarHBondContact O-N 3.36Å; L253-S257 WeakPolarHBondContact O-CB 3.49Å; L253-S257 PolarHBondContact O-N 3.29Å; L253-S257 PolarHBondContact O-OG 3.28Å |
| 254 | Q | 97.1 | Very high | 96.9 | Very high | 129 Ų | 129 | 101.9 Ų | 101.9 | 60% | 0.603 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.4 | -50.6 | 175.3 | -176.7 | 177.6 | 5.3 | 0 | 0 | 111 | N250 Q251 Y256 S257 Y258 | N250-Q254 WeakPolarHBondContact O-CB 3.38Å; N250-Q254 PolarHBondContact O-N 3.17Å; Q251-Q254 WeakPolarHBondContact O-CB 3.44Å; Q251-Q254 PolarHBondContact O-N 2.9Å; Q254-Y256 VanDerWaalsContact C-N 3.34Å; Q254-Y256 PolarHBondContact O-N 3.49Å; Q254-S257 PolarHBondContact O-N 2.95Å; Q254-S257 PolarHBondContact O-OG 3.37Å; Q254-Y258 PolarHBondContact O-N 2.79Å |
| 255 | E | 97.3 | Very high | 96.9 | Very high | 92 Ų | 92 | 104.4 Ų | 104.4 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 176.2 | -69.1 | -60.2 | 146.4 | 0 | 0 | 111.2 | Q251 S257 Y258 F259 | Q251-E255 WeakPolarHBondContact O-CB 3.29Å; Q251-E255 WeakPolarHBondContact O-CG 3.47Å; Q251-E255 PolarHBondContact O-N 3.37Å; E255-S257 VanDerWaalsContact C-N 3.34Å; E255-S257 PolarHBondContact O-N 2.94Å; E255-Y258 PolarHBondContact O-N 3.18Å; E255-F259 HydrophobicContact CB-CD2 4.33Å; E255-F259 HydrophobicContact CB-CE2 4.14Å; E255-F259 WeakPolarHBondContact O-CD2 3.5Å; E255-F259 PolarHBondContact O-N 3.34Å |
| 256 | Y | 97.3 | Very high | 96.7 | Very high | 160 Ų | 160 | 103.7 Ų | 103.7 | 63% | 0.627 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.3 | -45.3 | 175.1 | 178.4 | -95.9 | 0 | 0 | 0 | 111.9 | M252 L253 Q254 Y258 H260 | M252-Y256 VanDerWaalsContact O-CB 3.23Å; M252-Y256 WeakPolarHBondContact O-CB 3.21Å; M252-Y256 PolarHBondContact O-N 3.41Å; L253-Y256 PolarHBondContact O-N 3.36Å; Q254-Y256 VanDerWaalsContact C-N 3.34Å; Q254-Y256 PolarHBondContact O-N 3.49Å; Y256-Y258 VanDerWaalsContact C-N 3.33Å; Y256-Y258 PolarHBondContact O-N 3.08Å; Y256-H260 WeakPolarHBondContact O-CB 3.39Å; Y256-H260 PolarHBondContact O-N 3.45Å |
| 257 | S | 96.9 | Very high | 96.6 | Very high | 75 Ų | 75 | 108.2 Ų | 108.2 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -37.8 | 177.7 | 74.6 | 0 | 0 | 0 | 0 | 112.5 | L253 Q254 E255 G261 | L253-S257 WeakPolarHBondContact O-CB 3.49Å; L253-S257 PolarHBondContact O-N 3.29Å; L253-S257 PolarHBondContact O-OG 3.28Å; Q254-S257 PolarHBondContact O-N 2.95Å; Q254-S257 PolarHBondContact O-OG 3.37Å; E255-S257 VanDerWaalsContact C-N 3.34Å; E255-S257 PolarHBondContact O-N 2.94Å; S257-G261 PolarHBondContact O-N 3.01Å |
| 258 | Y | 97.4 | Very high | 96.6 | Very high | 155 Ų | 155 | 108.2 Ų | 108.2 | 61% | 0.608 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.3 | -51.5 | 176.7 | 174.7 | -100.3 | 0 | 0 | 0 | 111.4 | Q254 E255 Y256 H260 G261 A262 | Q254-Y258 PolarHBondContact O-N 2.79Å; E255-Y258 PolarHBondContact O-N 3.18Å; Y256-Y258 VanDerWaalsContact C-N 3.33Å; Y256-Y258 PolarHBondContact O-N 3.08Å; Y258-H260 VanDerWaalsContact C-N 3.31Å; Y258-H260 PolarHBondContact O-N 2.9Å; Y258-G261 PolarHBondContact O-N 3.2Å; Y258-A262 WeakPolarHBondContact O-CB 3.32Å; Y258-A262 PolarHBondContact O-N 3.33Å |
| 259 | F | 97.6 | Very high | 96.6 | Very high | 129 Ų | 129 | 110.8 Ų | 110.8 | 57% | 0.566 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.4 | -38.7 | 177.7 | -72.6 | -57.7 | 0 | 0 | 0 | 112.1 | E255 A262 L263 | E255-F259 HydrophobicContact CB-CD2 4.33Å; E255-F259 HydrophobicContact CB-CE2 4.14Å; E255-F259 WeakPolarHBondContact O-CD2 3.5Å; E255-F259 PolarHBondContact O-N 3.34Å; F259-A262 PolarHBondContact O-N 2.75Å; F259-L263 VanDerWaalsContact O-CB 3.26Å; F259-L263 WeakPolarHBondContact O-CB 3.32Å; F259-L263 PolarHBondContact O-N 3.47Å |
| 260 | H | 97.1 | Very high | 96.5 | Very high | 109 Ų | 109 | 108.9 Ų | 108.9 | 51% | 0.505 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 175.2 | -170.9 | 79.3 | 0 | 0 | 0 | 111.7 | Y256 Y258 L263 H264 | Y256-H260 WeakPolarHBondContact O-CB 3.39Å; Y256-H260 PolarHBondContact O-N 3.45Å; Y258-H260 VanDerWaalsContact C-N 3.31Å; Y258-H260 PolarHBondContact O-N 2.9Å; H260-L263 PolarHBondContact O-N 3.27Å; H260-H264 WeakPolarHBondContact O-CB 3.38Å; H260-H264 PolarHBondContact O-N 3.18Å |
| 261 | G | 96.8 | Very high | 96.4 | Very high | 37 Ų | 37 | 108.6 Ų | 108.6 | 38% | 0.381 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S257 Y258 L263 H264 E265 | S257-G261 PolarHBondContact O-N 3.01Å; Y258-G261 PolarHBondContact O-N 3.2Å; G261-L263 PolarHBondContact O-N 2.92Å; G261-H264 PolarHBondContact O-N 2.91Å; G261-E265 PolarHBondContact O-N 3.43Å |
| 262 | A | 96.2 | Very high | 96.3 | Very high | 38 Ų | 38 | 110.4 Ų | 110.4 | 31% | 0.314 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y258 F259 H264 E265 E266 | Y258-A262 WeakPolarHBondContact O-CB 3.32Å; Y258-A262 PolarHBondContact O-N 3.33Å; F259-A262 PolarHBondContact O-N 2.75Å; A262-H264 VanDerWaalsContact C-N 3.35Å; A262-E265 PolarHBondContact O-N 3.46Å; A262-E266 WeakPolarHBondContact O-CB 3.4Å; A262-E266 PolarHBondContact O-N 2.93Å |
| 263 | L | 97.5 | Very high | 96.4 | Very high | 125 Ų | 125 | 109.6 Ų | 109.6 | 65% | 0.654 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.8 | -40 | 176.1 | -176.6 | 66.7 | 0 | 0 | 0 | 111.7 | F259 H260 G261 E266 K267 | F259-L263 VanDerWaalsContact O-CB 3.26Å; F259-L263 WeakPolarHBondContact O-CB 3.32Å; F259-L263 PolarHBondContact O-N 3.47Å; H260-L263 PolarHBondContact O-N 3.27Å; G261-L263 PolarHBondContact O-N 2.92Å; L263-E266 PolarHBondContact O-N 3Å; L263-K267 WeakPolarHBondContact O-CB 3.43Å; L263-K267 PolarHBondContact O-N 3.44Å |
| 264 | H | 94.8 | Very high | 96.2 | Very high | 111 Ų | 111 | 110.7 Ų | 110.7 | 51% | 0.514 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 176.7 | -171.3 | 69.2 | 0 | 0 | 0 | 111.7 | H260 G261 A262 E266 K267 C268 | H260-H264 WeakPolarHBondContact O-CB 3.38Å; H260-H264 PolarHBondContact O-N 3.18Å; G261-H264 PolarHBondContact O-N 2.91Å; A262-H264 VanDerWaalsContact C-N 3.35Å; H264-E266 VanDerWaalsContact C-N 3.34Å; H264-E266 PolarHBondContact O-N 2.96Å; H264-K267 PolarHBondContact O-N 3.47Å; H264-C268 WeakPolarHBondContact O-CB 3.49Å; H264-C268 PolarHBondContact O-N 3.26Å; H264-C268 PolarHBondContact O-SG 3Å |
| 265 | E | 96.2 | Very high | 96.1 | Very high | 133 Ų | 133 | 108.2 Ų | 108.2 | 62% | 0.621 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.7 | -43.7 | 175.4 | -176.4 | 172 | -173 | 0 | 0 | 111.6 | G261 A262 C268 R269 | G261-E265 PolarHBondContact O-N 3.43Å; A262-E265 PolarHBondContact O-N 3.46Å; E265-C268 CarbonylContact O-C 3.53Å; E265-C268 PolarHBondContact O-N 3.28Å; E265-R269 WeakPolarHBondContact O-CB 3.47Å; E265-R269 PolarHBondContact O-N 2.92Å |
| 266 | E | 92.2 | Very high | 96 | Very high | 73 Ų | 73 | 109.7 Ų | 109.7 | 34% | 0.341 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 177.9 | -164 | 61.6 | -153.9 | 0 | 0 | 111.2 | A262 L263 H264 C268 R269 Y270 | A262-E266 WeakPolarHBondContact O-CB 3.4Å; A262-E266 PolarHBondContact O-N 2.93Å; L263-E266 PolarHBondContact O-N 3Å; H264-E266 VanDerWaalsContact C-N 3.34Å; H264-E266 PolarHBondContact O-N 2.96Å; E266-C268 VanDerWaalsContact C-N 3.35Å; E266-C268 PolarHBondContact O-N 3.1Å; E266-R269 WeakPolarHBondContact O-CB 3.27Å; E266-R269 PolarHBondContact O-N 2.9Å; E266-R269 VanDerWaalsContact O-N 3.12Å; E266-Y270 HydrophobicContact CG-CD2 3.94Å; E266-Y270 HydrophobicContact CG-CE2 3.58Å; E266-Y270 WeakPolarHBondContact O-CD2 3.31Å; E266-Y270 PolarHBondContact O-N 3.47Å |
| 267 | K | 95.6 | Very high | 95.9 | Very high | 149 Ų | 149 | 107 Ų | 107 | 65% | 0.648 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.8 | -44.7 | 172.2 | -173.5 | -179.5 | 179.4 | -177.8 | 0 | 111.9 | L263 H264 R269 Y270 Q271 | L263-K267 WeakPolarHBondContact O-CB 3.43Å; L263-K267 PolarHBondContact O-N 3.44Å; H264-K267 PolarHBondContact O-N 3.47Å; K267-R269 VanDerWaalsContact C-N 3.29Å; K267-R269 PolarHBondContact O-N 3.33Å; K267-Y270 PolarHBondContact O-N 3.38Å; K267-Q271 PolarHBondContact O-N 3.37Å |
| 268 | C | 95.8 | Very high | 95.9 | Very high | 51 Ų | 51 | 107.1 Ų | 107.1 | 35% | 0.345 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.8 | -29.1 | 176.1 | -71.6 | 0 | 0 | 0 | 0 | 112.8 | H264 E265 E266 R272 | H264-C268 WeakPolarHBondContact O-CB 3.49Å; H264-C268 PolarHBondContact O-N 3.26Å; H264-C268 PolarHBondContact O-SG 3Å; E265-C268 CarbonylContact O-C 3.53Å; E265-C268 PolarHBondContact O-N 3.28Å; E266-C268 VanDerWaalsContact C-N 3.35Å; E266-C268 PolarHBondContact O-N 3.1Å; C268-R272 WeakPolarHBondContact O-CG 3.37Å; C268-R272 PolarHBondContact O-N 3.34Å; C268-R272 PolarHBondContact O-NE 3.01Å; C268-R272 VanDerWaalsContact O-NE 3.09Å |
| 269 | R | 96.7 | Very high | 95.9 | Very high | 152 Ų | 152 | 104.6 Ų | 104.6 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.6 | -44.6 | 173.3 | -171.5 | -176 | -175.9 | 168.9 | 1.9 | 111.4 | E265 E266 K267 R272 L273 | E265-R269 WeakPolarHBondContact O-CB 3.47Å; E265-R269 PolarHBondContact O-N 2.92Å; E266-R269 WeakPolarHBondContact O-CB 3.27Å; E266-R269 PolarHBondContact O-N 2.9Å; E266-R269 VanDerWaalsContact O-N 3.12Å; K267-R269 VanDerWaalsContact C-N 3.29Å; K267-R269 PolarHBondContact O-N 3.33Å; R269-R272 PolarHBondContact O-N 3.43Å; R269-L273 PolarHBondContact O-N 3.29Å |
| 270 | Y | 95.9 | Very high | 95.7 | Very high | 136 Ų | 136 | 102.8 Ų | 102.8 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 175 | -81.6 | -64 | 0 | 0 | 0 | 111.9 | E266 K267 R272 L273 E274 | E266-Y270 HydrophobicContact CG-CD2 3.94Å; E266-Y270 HydrophobicContact CG-CE2 3.58Å; E266-Y270 WeakPolarHBondContact O-CD2 3.31Å; E266-Y270 PolarHBondContact O-N 3.47Å; K267-Y270 PolarHBondContact O-N 3.38Å; Y270-R272 PolarHBondContact O-N 2.87Å; Y270-L273 PolarHBondContact O-N 3.46Å; Y270-L273 VanDerWaalsContact O-N 3.12Å; Y270-E274 WeakPolarHBondContact O-CB 3.47Å; Y270-E274 PolarHBondContact O-N 2.94Å |
| 271 | Q | 95.4 | Very high | 95.6 | Very high | 94 Ų | 94 | 101.8 Ų | 101.8 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.6 | -48.1 | 177.1 | -171.5 | 65.3 | 47 | 0 | 0 | 111.8 | K267 L273 E274 D275 | K267-Q271 PolarHBondContact O-N 3.37Å; Q271-L273 VanDerWaalsContact C-N 3.3Å; Q271-L273 PolarHBondContact O-N 2.95Å; Q271-E274 WeakPolarHBondContact O-CB 3.41Å; Q271-E274 PolarHBondContact O-N 2.89Å; Q271-D275 PolarHBondContact NE2-OD1 2.76Å; Q271-D275 VanDerWaalsContact NE2-OD1 3.1Å; Q271-D275 PolarHBondContact O-N 2.94Å |
| 272 | R | 96 | Very high | 95.5 | Very high | 147 Ų | 147 | 105.2 Ų | 105.2 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.6 | -37.2 | 177.6 | -75.5 | 177.4 | -69.9 | 168.1 | -1.9 | 112.9 | C268 R269 Y270 Q276 | C268-R272 WeakPolarHBondContact O-CG 3.37Å; C268-R272 PolarHBondContact O-N 3.34Å; C268-R272 PolarHBondContact O-NE 3.01Å; C268-R272 VanDerWaalsContact O-NE 3.09Å; R269-R272 PolarHBondContact O-N 3.43Å; Y270-R272 PolarHBondContact O-N 2.87Å; R272-Q276 WeakPolarHBondContact O-CB 3.32Å; R272-Q276 VanDerWaalsContact O-CG 3.3Å; R272-Q276 WeakPolarHBondContact O-CG 3.33Å; R272-Q276 PolarHBondContact O-N 2.88Å |
| 273 | L | 96.2 | Very high | 95.5 | Very high | 108 Ų | 108 | 109.4 Ų | 109.4 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.9 | -37.4 | 178.4 | -158.9 | 82.7 | 0 | 0 | 0 | 111.2 | R269 Y270 Q271 L277 | R269-L273 PolarHBondContact O-N 3.29Å; Y270-L273 PolarHBondContact O-N 3.46Å; Y270-L273 VanDerWaalsContact O-N 3.12Å; Q271-L273 VanDerWaalsContact C-N 3.3Å; Q271-L273 PolarHBondContact O-N 2.95Å; L273-L277 VanDerWaalsContact O-CB 3.3Å; L273-L277 WeakPolarHBondContact O-CB 3.48Å; L273-L277 PolarHBondContact O-N 3.38Å |
| 274 | E | 93.3 | Very high | 95.2 | Very high | 121 Ų | 121 | 108.9 Ų | 108.9 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.2 | -45.8 | 174.5 | -175.7 | 171.1 | -155.8 | 0 | 0 | 111.2 | Y270 Q271 Q276 L277 N278 | Y270-E274 WeakPolarHBondContact O-CB 3.47Å; Y270-E274 PolarHBondContact O-N 2.94Å; Q271-E274 WeakPolarHBondContact O-CB 3.41Å; Q271-E274 PolarHBondContact O-N 2.89Å; E274-Q276 PolarHBondContact O-N 2.91Å; E274-L277 PolarHBondContact O-N 2.97Å; E274-N278 WeakPolarHBondContact O-CB 3.49Å; E274-N278 PolarHBondContact O-N 2.88Å |
| 275 | D | 95 | Very high | 95.2 | Very high | 77 Ų | 77 | 109.2 Ų | 109.2 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.6 | -47 | 175.8 | -60.3 | -21.6 | 0 | 0 | 0 | 110.7 | Q271 L277 N278 D279 | Q271-D275 PolarHBondContact NE2-OD1 2.76Å; Q271-D275 VanDerWaalsContact NE2-OD1 3.1Å; Q271-D275 PolarHBondContact O-N 2.94Å; D275-L277 VanDerWaalsContact C-N 3.35Å; D275-L277 PolarHBondContact O-N 2.93Å; D275-N278 PolarHBondContact O-N 3.32Å; D275-D279 PolarHBondContact O-N 3.4Å |
| 276 | Q | 95.5 | Very high | 95.1 | Very high | 123 Ų | 123 | 105.6 Ų | 105.6 | 58% | 0.575 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.7 | -38.7 | 176.6 | -76.3 | -178.2 | -21.2 | 0 | 0 | 113.4 | R272 E274 T280 | R272-Q276 WeakPolarHBondContact O-CB 3.32Å; R272-Q276 VanDerWaalsContact O-CG 3.3Å; R272-Q276 WeakPolarHBondContact O-CG 3.33Å; R272-Q276 PolarHBondContact O-N 2.88Å; E274-Q276 PolarHBondContact O-N 2.91Å; Q276-T280 WeakPolarHBondContact O-CB 3.33Å; Q276-T280 PolarHBondContact O-N 3.24Å; Q276-T280 VanDerWaalsContact O-N 3.12Å; Q276-T280 PolarHBondContact O-OG1 2.9Å |
| 277 | L | 95.5 | Very high | 95.2 | Very high | 105 Ų | 105 | 107.3 Ų | 107.3 | 55% | 0.55 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66 | -43.1 | 175.6 | 177.2 | 61.6 | 0 | 0 | 0 | 110.1 | L273 E274 D275 T280 I281 | L273-L277 VanDerWaalsContact O-CB 3.3Å; L273-L277 WeakPolarHBondContact O-CB 3.48Å; L273-L277 PolarHBondContact O-N 3.38Å; E274-L277 PolarHBondContact O-N 2.97Å; D275-L277 VanDerWaalsContact C-N 3.35Å; D275-L277 PolarHBondContact O-N 2.93Å; L277-T280 PolarHBondContact O-N 3.1Å; L277-I281 HydrophobicContact CD1-CD1 4Å; L277-I281 HydrophobicContact CD1-CG1 4.26Å; L277-I281 HydrophobicContact CG-CD1 3.82Å; L277-I281 HydrophobicContact CG-CG1 4.48Å; L277-I281 VanDerWaalsContact O-CG1 3.27Å; L277-I281 WeakPolarHBondContact O-CG1 3.45Å; L277-I281 PolarHBondContact O-N 3.06Å |
| 278 | N | 96.3 | Very high | 95.1 | Very high | 77 Ų | 77 | 103.7 Ų | 103.7 | 41% | 0.412 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 178 | -168.1 | 65.2 | 0 | 0 | 0 | 111.4 | E274 D275 T280 I281 E282 | E274-N278 WeakPolarHBondContact O-CB 3.49Å; E274-N278 PolarHBondContact O-N 2.88Å; D275-N278 PolarHBondContact O-N 3.32Å; N278-T280 PolarHBondContact O-N 3.42Å; N278-I281 PolarHBondContact O-N 3.44Å; N278-I281 VanDerWaalsContact O-N 3.1Å; N278-E282 PolarHBondContact ND2-OE1 2.9Å; N278-E282 WeakPolarHBondContact O-CG 3.43Å; N278-E282 PolarHBondContact O-N 2.86Å |
| 279 | D | 97.4 | Very high | 95.1 | Very high | 102 Ų | 102 | 106 Ų | 106 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56 | -41.2 | 174.9 | -69.5 | -16 | 0 | 0 | 0 | 112 | D275 L283 | D275-D279 PolarHBondContact O-N 3.4Å; D279-L283 WeakPolarHBondContact O-CB 3.41Å; D279-L283 PolarHBondContact O-N 3.38Å |
| 280 | T | 94.5 | Very high | 95 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 56% | 0.558 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.6 | -39.9 | 178.9 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | Q276 L277 N278 H284 | Q276-T280 WeakPolarHBondContact O-CB 3.33Å; Q276-T280 PolarHBondContact O-N 3.24Å; Q276-T280 VanDerWaalsContact O-N 3.12Å; Q276-T280 PolarHBondContact O-OG1 2.9Å; L277-T280 PolarHBondContact O-N 3.1Å; N278-T280 PolarHBondContact O-N 3.42Å; T280-H284 VanDerWaalsContact O-CB 3.29Å; T280-H284 WeakPolarHBondContact O-CB 3.29Å; T280-H284 PolarHBondContact O-N 3.45Å |
| 281 | I | 94.5 | Very high | 95 | Very high | 87 Ų | 87 | 100.5 Ų | 100.5 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 176.6 | -71.1 | 167.3 | 0 | 0 | 0 | 110.2 | L277 N278 H284 Q285 | L277-I281 HydrophobicContact CD1-CD1 4Å; L277-I281 HydrophobicContact CD1-CG1 4.26Å; L277-I281 HydrophobicContact CG-CD1 3.82Å; L277-I281 HydrophobicContact CG-CG1 4.48Å; L277-I281 VanDerWaalsContact O-CG1 3.27Å; L277-I281 WeakPolarHBondContact O-CG1 3.45Å; L277-I281 PolarHBondContact O-N 3.06Å; N278-I281 PolarHBondContact O-N 3.44Å; N278-I281 VanDerWaalsContact O-N 3.1Å; I281-H284 PolarHBondContact O-N 3.29Å; I281-Q285 VanDerWaalsContact O-CB 3.32Å; I281-Q285 WeakPolarHBondContact O-CB 3.24Å; I281-Q285 PolarHBondContact O-N 2.79Å |
| 282 | E | 95.7 | Very high | 95 | Very high | 110 Ų | 110 | 102.6 Ų | 102.6 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 178 | -73.8 | -176.7 | -166.7 | 0 | 0 | 111.6 | N278 Q285 A286 | N278-E282 PolarHBondContact ND2-OE1 2.9Å; N278-E282 WeakPolarHBondContact O-CG 3.43Å; N278-E282 PolarHBondContact O-N 2.86Å; E282-Q285 PolarHBondContact O-N 3.32Å; E282-A286 WeakPolarHBondContact O-CB 3.29Å; E282-A286 PolarHBondContact O-N 3.48Å |
| 283 | L | 96.5 | Very high | 95 | Very high | 125 Ų | 125 | 101.5 Ų | 101.5 | 65% | 0.654 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.3 | -44.9 | 175.7 | -177.6 | 65.7 | 0 | 0 | 0 | 111.6 | D279 Q285 A286 E287 | D279-L283 WeakPolarHBondContact O-CB 3.41Å; D279-L283 PolarHBondContact O-N 3.38Å; L283-Q285 VanDerWaalsContact C-N 3.34Å; L283-Q285 PolarHBondContact O-N 3.2Å; L283-A286 PolarHBondContact O-N 3.1Å; L283-E287 PolarHBondContact O-N 2.94Å |
| 284 | H | 90.7 | Very high | 94.9 | Very high | 115 Ų | 115 | 99.5 Ų | 99.5 | 53% | 0.532 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 179.3 | -169.3 | 57.4 | 0 | 0 | 0 | 111.7 | T280 I281 E287 V288 | T280-H284 VanDerWaalsContact O-CB 3.29Å; T280-H284 WeakPolarHBondContact O-CB 3.29Å; T280-H284 PolarHBondContact O-N 3.45Å; I281-H284 PolarHBondContact O-N 3.29Å; H284-E287 PolarHBondContact O-N 2.77Å; H284-V288 WeakPolarHBondContact O-CB 3.37Å; H284-V288 VanDerWaalsContact O-CG2 3.27Å; H284-V288 WeakPolarHBondContact O-CG2 3.41Å; H284-V288 PolarHBondContact O-N 2.92Å |
| 285 | Q | 93.9 | Very high | 94.9 | Very high | 118 Ų | 118 | 99 Ų | 99 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 174.8 | -174.7 | 174.7 | -2.5 | 0 | 0 | 111.4 | I281 E282 L283 V288 L289 | I281-Q285 VanDerWaalsContact O-CB 3.32Å; I281-Q285 WeakPolarHBondContact O-CB 3.24Å; I281-Q285 PolarHBondContact O-N 2.79Å; E282-Q285 PolarHBondContact O-N 3.32Å; L283-Q285 VanDerWaalsContact C-N 3.34Å; L283-Q285 PolarHBondContact O-N 3.2Å; Q285-V288 PolarHBondContact O-N 3.28Å; Q285-L289 HydrophobicContact CG-CD1 4.36Å; Q285-L289 VanDerWaalsContact O-CG 3.31Å; Q285-L289 WeakPolarHBondContact O-CG 3.41Å; Q285-L289 PolarHBondContact O-N 3.26Å |
| 286 | A | 95.5 | Very high | 94.9 | Very high | 56 Ų | 56 | 101.4 Ų | 101.4 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E282 L283 L289 N290 | E282-A286 WeakPolarHBondContact O-CB 3.29Å; E282-A286 PolarHBondContact O-N 3.48Å; L283-A286 PolarHBondContact O-N 3.1Å; A286-L289 PolarHBondContact O-N 3.16Å; A286-N290 WeakPolarHBondContact O-CB 3.34Å; A286-N290 PolarHBondContact O-N 3.24Å |
| 287 | E | 93 | Very high | 94.8 | Very high | 110 Ų | 110 | 99.3 Ų | 99.3 | 51% | 0.514 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 176.5 | -174.6 | 177.9 | -167.1 | 0 | 0 | 111.5 | L283 H284 L289 N290 L291 | L283-E287 PolarHBondContact O-N 2.94Å; H284-E287 PolarHBondContact O-N 2.77Å; E287-L289 PolarHBondContact O-N 3.27Å; E287-N290 PolarHBondContact O-N 3.44Å; E287-L291 HydrophobicContact CG-CD1 4.05Å; E287-L291 HydrophobicContact CG-CG 4.42Å; E287-L291 WeakPolarHBondContact O-CB 3.39Å; E287-L291 VanDerWaalsContact O-CG 3.29Å; E287-L291 WeakPolarHBondContact O-CG 3.47Å; E287-L291 PolarHBondContact O-N 3.29Å |
| 288 | V | 94 | Very high | 94.7 | Very high | 72 Ų | 72 | 96.1 Ų | 96.1 | 44% | 0.436 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 177.5 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | H284 Q285 K292 | H284-V288 WeakPolarHBondContact O-CB 3.37Å; H284-V288 VanDerWaalsContact O-CG2 3.27Å; H284-V288 WeakPolarHBondContact O-CG2 3.41Å; H284-V288 PolarHBondContact O-N 2.92Å; Q285-V288 PolarHBondContact O-N 3.28Å; V288-K292 VanDerWaalsContact O-CB 3.29Å; V288-K292 WeakPolarHBondContact O-CB 3.3Å; V288-K292 PolarHBondContact O-N 3.34Å |
| 289 | L | 95 | Very high | 94.5 | Very high | 100 Ų | 100 | 96.4 Ų | 96.4 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 176.7 | -72.3 | 173.1 | 0 | 0 | 0 | 111.8 | Q285 A286 E287 K292 Q293 | Q285-L289 HydrophobicContact CG-CD1 4.36Å; Q285-L289 VanDerWaalsContact O-CG 3.31Å; Q285-L289 WeakPolarHBondContact O-CG 3.41Å; Q285-L289 PolarHBondContact O-N 3.26Å; A286-L289 PolarHBondContact O-N 3.16Å; E287-L289 PolarHBondContact O-N 3.27Å; L289-K292 PolarHBondContact O-N 3.13Å; L289-Q293 PolarHBondContact O-N 3.5Å |
| 290 | N | 95.8 | Very high | 94.4 | Very high | 95 Ų | 95 | 92.7 Ų | 92.7 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 177.1 | -177.8 | 66.3 | 0 | 0 | 0 | 111.9 | A286 E287 K292 Q293 E294 | A286-N290 WeakPolarHBondContact O-CB 3.34Å; A286-N290 PolarHBondContact O-N 3.24Å; E287-N290 PolarHBondContact O-N 3.44Å; N290-K292 VanDerWaalsContact C-N 3.32Å; N290-K292 PolarHBondContact O-N 2.85Å; N290-Q293 PolarHBondContact O-N 3.46Å; N290-E294 PolarHBondContact O-N 2.91Å |
| 291 | L | 95.6 | Very high | 94.4 | Very high | 77 Ų | 77 | 96.8 Ų | 96.8 | 40% | 0.403 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 176.9 | -71.3 | 173.8 | 0 | 0 | 0 | 111.7 | E287 Q293 E294 I295 | E287-L291 HydrophobicContact CG-CD1 4.05Å; E287-L291 HydrophobicContact CG-CG 4.42Å; E287-L291 WeakPolarHBondContact O-CB 3.39Å; E287-L291 VanDerWaalsContact O-CG 3.29Å; E287-L291 WeakPolarHBondContact O-CG 3.47Å; E287-L291 PolarHBondContact O-N 3.29Å; L291-Q293 VanDerWaalsContact C-N 3.33Å; L291-Q293 PolarHBondContact O-N 2.6Å; L291-E294 PolarHBondContact O-N 3.26Å; L291-I295 WeakPolarHBondContact O-CB 3.31Å; L291-I295 VanDerWaalsContact O-CG1 3.24Å; L291-I295 WeakPolarHBondContact O-CG1 3.28Å; L291-I295 PolarHBondContact O-N 2.77Å |
| 292 | K | 95.4 | Very high | 94.3 | Very high | 138 Ų | 138 | 95 Ų | 95 | 60% | 0.6 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.6 | -43.7 | 175.1 | -175.7 | -178.9 | 176.9 | -174.3 | 0 | 111.3 | V288 L289 N290 I295 E296 | V288-K292 VanDerWaalsContact O-CB 3.29Å; V288-K292 WeakPolarHBondContact O-CB 3.3Å; V288-K292 PolarHBondContact O-N 3.34Å; L289-K292 PolarHBondContact O-N 3.13Å; N290-K292 VanDerWaalsContact C-N 3.32Å; N290-K292 PolarHBondContact O-N 2.85Å; K292-I295 PolarHBondContact O-N 3.45Å; K292-E296 WeakPolarHBondContact O-CB 3.46Å; K292-E296 PolarHBondContact O-N 2.92Å |
| 293 | Q | 95.6 | Very high | 94.2 | Very high | 124 Ų | 124 | 96.8 Ų | 96.8 | 58% | 0.579 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 176.3 | -174.9 | 178.2 | -4.4 | 0 | 0 | 111.7 | L289 N290 L291 I295 E296 T297 | L289-Q293 PolarHBondContact O-N 3.5Å; N290-Q293 PolarHBondContact O-N 3.46Å; L291-Q293 VanDerWaalsContact C-N 3.33Å; L291-Q293 PolarHBondContact O-N 2.6Å; Q293-I295 VanDerWaalsContact C-N 3.34Å; Q293-I295 PolarHBondContact O-N 3.31Å; Q293-E296 PolarHBondContact O-N 3.48Å; Q293-T297 VanDerWaalsContact O-CG2 3.28Å; Q293-T297 WeakPolarHBondContact O-CG2 3.16Å; Q293-T297 PolarHBondContact O-N 2.97Å; Q293-T297 PolarHBondContact O-OG1 3.32Å |
| 294 | E | 94.8 | Very high | 94 | Very high | 66 Ų | 66 | 98.3 Ų | 98.3 | 31% | 0.308 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 176.3 | -173.1 | 178.2 | 176.5 | 0 | 0 | 111.2 | N290 L291 E296 T297 M298 | N290-E294 PolarHBondContact O-N 2.91Å; L291-E294 PolarHBondContact O-N 3.26Å; E294-E296 PolarHBondContact O-N 2.7Å; E294-T297 PolarHBondContact O-N 2.92Å; E294-T297 PolarHBondContact O-OG1 3.21Å; E294-M298 VanDerWaalsContact O-CB 3.31Å; E294-M298 WeakPolarHBondContact O-CB 3.45Å; E294-M298 PolarHBondContact O-N 3.48Å |
| 295 | I | 92.6 | Very high | 94.3 | Very high | 112 Ų | 112 | 95.8 Ų | 95.8 | 57% | 0.574 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.2 | -46.6 | 175.7 | -69.5 | 165.9 | 0 | 0 | 0 | 110.7 | L291 K292 Q293 T297 M298 E299 | L291-I295 WeakPolarHBondContact O-CB 3.31Å; L291-I295 VanDerWaalsContact O-CG1 3.24Å; L291-I295 WeakPolarHBondContact O-CG1 3.28Å; L291-I295 PolarHBondContact O-N 2.77Å; K292-I295 PolarHBondContact O-N 3.45Å; Q293-I295 VanDerWaalsContact C-N 3.34Å; Q293-I295 PolarHBondContact O-N 3.31Å; I295-T297 VanDerWaalsContact C-N 3.35Å; I295-T297 PolarHBondContact O-N 2.97Å; I295-M298 PolarHBondContact O-N 2.66Å; I295-E299 WeakPolarHBondContact O-CB 3.31Å; I295-E299 PolarHBondContact O-N 2.88Å |
| 296 | E | 94.3 | Very high | 94.2 | Very high | 126 Ų | 126 | 95.7 Ų | 95.7 | 59% | 0.589 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 179.1 | -173.6 | 173.9 | 178 | 0 | 0 | 111.8 | K292 Q293 E294 E299 G300 | K292-E296 WeakPolarHBondContact O-CB 3.46Å; K292-E296 PolarHBondContact O-N 2.92Å; Q293-E296 PolarHBondContact O-N 3.48Å; E294-E296 PolarHBondContact O-N 2.7Å; E296-E299 PolarHBondContact O-N 3.26Å; E296-G300 PolarHBondContact O-N 3.47Å |
| 297 | T | 94.4 | Very high | 94.2 | Very high | 80 Ų | 80 | 100.4 Ų | 100.4 | 49% | 0.491 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 175.9 | 64.7 | 0 | 0 | 0 | 0 | 112.3 | Q293 E294 I295 G300 R301 | Q293-T297 VanDerWaalsContact O-CG2 3.28Å; Q293-T297 WeakPolarHBondContact O-CG2 3.16Å; Q293-T297 PolarHBondContact O-N 2.97Å; Q293-T297 PolarHBondContact O-OG1 3.32Å; E294-T297 PolarHBondContact O-N 2.92Å; E294-T297 PolarHBondContact O-OG1 3.21Å; I295-T297 VanDerWaalsContact C-N 3.35Å; I295-T297 PolarHBondContact O-N 2.97Å; T297-G300 PolarHBondContact O-N 3.47Å; T297-R301 WeakPolarHBondContact O-CG 3.38Å; T297-R301 PolarHBondContact O-N 3.33Å |
| 298 | M | 94 | Very high | 94.4 | Very high | 38 Ų | 38 | 99.6 Ų | 99.6 | 19% | 0.187 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 177.1 | -177.3 | 172.2 | -62.8 | 0 | 0 | 111.4 | V138 E294 I295 G300 R301 L302 | V138-M298 HydrophobicContact CB-CE 4.44Å; V138-M298 HydrophobicContact CG2-CE 3.24Å; V138-M298 HydrophobicContact CG2-SD 3.93Å; E294-M298 VanDerWaalsContact O-CB 3.31Å; E294-M298 WeakPolarHBondContact O-CB 3.45Å; E294-M298 PolarHBondContact O-N 3.48Å; I295-M298 PolarHBondContact O-N 2.66Å; M298-G300 VanDerWaalsContact C-N 3.35Å; M298-R301 PolarHBondContact O-N 3.4Å; M298-L302 HydrophobicContact CG-CD1 3.91Å; M298-L302 HydrophobicContact CG-CG 4.47Å; M298-L302 WeakPolarHBondContact O-CB 3.35Å; M298-L302 WeakPolarHBondContact O-CG 3.38Å; M298-L302 PolarHBondContact O-N 3.09Å |
| 299 | E | 92.4 | Very high | 94.4 | Very high | 82 Ų | 82 | 100.2 Ų | 100.2 | 38% | 0.383 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 176 | -168.2 | -168.3 | -155.4 | 0 | 0 | 110.8 | I295 E296 L302 R303 | I295-E299 WeakPolarHBondContact O-CB 3.31Å; I295-E299 PolarHBondContact O-N 2.88Å; E296-E299 PolarHBondContact O-N 3.26Å; E299-L302 PolarHBondContact O-N 2.85Å; E299-R303 VanDerWaalsContact CG-NH1 3.26Å; E299-R303 WeakPolarHBondContact O-CB 2.94Å; E299-R303 WeakPolarHBondContact O-CG 3.34Å; E299-R303 PolarHBondContact O-N 2.99Å; E299-R303 IonicContact OE1-CZ 2.88Å; E299-R303 IonicContact OE1-NH1 2.77Å; E299-R303 PolarHBondContact OE1-NH1 2.79Å; E299-R303 IonicContact OE1-NH2 3.52Å; E299-R303 PolarHBondContact OE1-NH2 3.31Å; E299-R303 IonicContact OE2-CZ 3.16Å; E299-R303 IonicContact OE2-NH1 3.53Å; E299-R303 PolarHBondContact OE2-NH1 2.95Å; E299-R303 IonicContact OE2-NH2 2.6Å |
| 300 | G | 94 | Very high | 94.4 | Very high | 24 Ų | 24 | 101 Ų | 101 | 25% | 0.247 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -53.9 | -53.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E296 T297 M298 L302 R303 Y304 | E296-G300 PolarHBondContact O-N 3.47Å; T297-G300 PolarHBondContact O-N 3.47Å; M298-G300 VanDerWaalsContact C-N 3.35Å; G300-L302 PolarHBondContact O-N 3.27Å; G300-R303 PolarHBondContact O-N 3.37Å; G300-Y304 WeakPolarHBondContact O-CD2 3.25Å; G300-Y304 PolarHBondContact O-N 2.92Å |
| 301 | R | 94.7 | Very high | 94.4 | Very high | 177 Ų | 177 | 101.6 Ų | 101.6 | 67% | 0.668 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.2 | -45.1 | 178.8 | -70.1 | 175 | 65.2 | -172 | 0.2 | 113 | T297 M298 Y304 Q305 | T297-R301 WeakPolarHBondContact O-CG 3.38Å; T297-R301 PolarHBondContact O-N 3.33Å; M298-R301 PolarHBondContact O-N 3.4Å; R301-Y304 PolarHBondContact O-N 3.19Å; R301-Q305 WeakPolarHBondContact O-CB 3.36Å; R301-Q305 PolarHBondContact O-N 3.47Å |
| 302 | L | 91.8 | Very high | 94.4 | Very high | 49 Ų | 49 | 102.3 Ų | 102.3 | 26% | 0.257 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 177.8 | -80.5 | 163.8 | 0 | 0 | 0 | 111.4 | M298 E299 G300 Y304 Q305 F306 | M298-L302 HydrophobicContact CG-CD1 3.91Å; M298-L302 HydrophobicContact CG-CG 4.47Å; M298-L302 WeakPolarHBondContact O-CB 3.35Å; M298-L302 WeakPolarHBondContact O-CG 3.38Å; M298-L302 PolarHBondContact O-N 3.09Å; E299-L302 PolarHBondContact O-N 2.85Å; G300-L302 PolarHBondContact O-N 3.27Å; L302-Y304 VanDerWaalsContact C-N 3.33Å; L302-Y304 PolarHBondContact O-N 3Å; L302-Q305 PolarHBondContact O-N 3.37Å; L302-F306 HydrophobicContact CB-CD2 4.31Å; L302-F306 HydrophobicContact CB-CE2 4.25Å; L302-F306 HydrophobicContact CD2-CE2 3.82Å; L302-F306 HydrophobicContact CD2-CZ 4.28Å; L302-F306 WeakPolarHBondContact O-CB 3.46Å; L302-F306 WeakPolarHBondContact O-CD2 3.39Å; L302-F306 PolarHBondContact O-N 2.89Å |
| 303 | R | 94 | Very high | 94.3 | Very high | 148 Ų | 148 | 100.5 Ų | 100.5 | 56% | 0.558 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.2 | -43.1 | 175.4 | -78.7 | -174.8 | 180 | 113.1 | 3.4 | 111.9 | E299 G300 R307 | E299-R303 VanDerWaalsContact CG-NH1 3.26Å; E299-R303 WeakPolarHBondContact O-CB 2.94Å; E299-R303 WeakPolarHBondContact O-CG 3.34Å; E299-R303 PolarHBondContact O-N 2.99Å; E299-R303 IonicContact OE1-CZ 2.88Å; E299-R303 IonicContact OE1-NH1 2.77Å; E299-R303 PolarHBondContact OE1-NH1 2.79Å; E299-R303 IonicContact OE1-NH2 3.52Å; E299-R303 PolarHBondContact OE1-NH2 3.31Å; E299-R303 IonicContact OE2-CZ 3.16Å; E299-R303 IonicContact OE2-NH1 3.53Å; E299-R303 PolarHBondContact OE2-NH1 2.95Å; E299-R303 IonicContact OE2-NH2 2.6Å; G300-R303 PolarHBondContact O-N 3.37Å; R303-R307 WeakPolarHBondContact O-CB 3.39Å; R303-R307 PolarHBondContact O-N 2.96Å |
| 304 | Y | 93.3 | Very high | 94.4 | Very high | 158 Ų | 158 | 101 Ų | 101 | 62% | 0.62 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.4 | -48.7 | 175.7 | -80 | -68.6 | 0 | 0 | 0 | 111.4 | G300 R301 L302 R307 D308 | G300-Y304 WeakPolarHBondContact O-CD2 3.25Å; G300-Y304 PolarHBondContact O-N 2.92Å; R301-Y304 PolarHBondContact O-N 3.19Å; L302-Y304 VanDerWaalsContact C-N 3.33Å; L302-Y304 PolarHBondContact O-N 3Å; Y304-R307 PolarHBondContact O-N 3.2Å; Y304-D308 WeakPolarHBondContact O-CB 3Å; Y304-D308 PolarHBondContact O-N 3.35Å |
| 305 | Q | 95.6 | Very high | 94.4 | Very high | 61 Ų | 61 | 101 Ų | 101 | 29% | 0.285 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | -179.1 | -174.2 | -177.8 | -13 | 0 | 0 | 112.6 | R301 L302 R307 D308 Q309 | R301-Q305 WeakPolarHBondContact O-CB 3.36Å; R301-Q305 PolarHBondContact O-N 3.47Å; L302-Q305 PolarHBondContact O-N 3.37Å; Q305-R307 VanDerWaalsContact C-N 3.34Å; Q305-D308 PolarHBondContact O-N 3.06Å; Q305-Q309 WeakPolarHBondContact O-CB 3.46Å; Q305-Q309 VanDerWaalsContact O-CG 3.32Å; Q305-Q309 WeakPolarHBondContact O-CG 3.16Å; Q305-Q309 PolarHBondContact O-N 3.43Å |
| 306 | F | 92.1 | Very high | 94.6 | Very high | 116 Ų | 116 | 99.8 Ų | 99.8 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.5 | -37.7 | 177.8 | -74.6 | -52.1 | 0 | 0 | 0 | 112 | L302 D308 Q309 L310 | L302-F306 HydrophobicContact CB-CD2 4.31Å; L302-F306 HydrophobicContact CB-CE2 4.25Å; L302-F306 HydrophobicContact CD2-CE2 3.82Å; L302-F306 HydrophobicContact CD2-CZ 4.28Å; L302-F306 WeakPolarHBondContact O-CB 3.46Å; L302-F306 WeakPolarHBondContact O-CD2 3.39Å; L302-F306 PolarHBondContact O-N 2.89Å; F306-D308 VanDerWaalsContact C-N 3.32Å; F306-Q309 PolarHBondContact O-N 3.5Å; F306-L310 VanDerWaalsContact O-CB 3.28Å; F306-L310 WeakPolarHBondContact O-CB 3.44Å; F306-L310 WeakPolarHBondContact O-CG 3.42Å; F306-L310 PolarHBondContact O-N 2.75Å |
| 307 | R | 96.7 | Very high | 94.6 | Very high | 156 Ų | 156 | 97.8 Ų | 97.8 | 59% | 0.589 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.4 | -41.2 | 175.4 | -173.2 | 176.5 | 69.1 | 155.6 | 5.7 | 111.4 | R303 Y304 Q305 L310 Q311 | R303-R307 WeakPolarHBondContact O-CB 3.39Å; R303-R307 PolarHBondContact O-N 2.96Å; Y304-R307 PolarHBondContact O-N 3.2Å; Q305-R307 VanDerWaalsContact C-N 3.34Å; R307-L310 PolarHBondContact O-N 3.25Å; R307-Q311 WeakPolarHBondContact O-CB 3.43Å; R307-Q311 PolarHBondContact O-N 2.6Å |
| 308 | D | 95.7 | Very high | 94.7 | Very high | 93 Ų | 93 | 95.9 Ų | 95.9 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.8 | -49 | 176.1 | -165.9 | 63.2 | 0 | 0 | 0 | 111.3 | Y304 Q305 F306 L310 Q311 D312 | Y304-D308 WeakPolarHBondContact O-CB 3Å; Y304-D308 PolarHBondContact O-N 3.35Å; Q305-D308 PolarHBondContact O-N 3.06Å; F306-D308 VanDerWaalsContact C-N 3.32Å; D308-L310 VanDerWaalsContact C-N 3.33Å; D308-L310 PolarHBondContact O-N 2.87Å; D308-Q311 WeakPolarHBondContact O-CA 3.42Å; D308-Q311 WeakPolarHBondContact O-CB 2.82Å; D308-Q311 PolarHBondContact O-N 2.86Å; D308-D312 PolarHBondContact O-N 3.49Å |
| 309 | Q | 95.1 | Very high | 94.8 | Very high | 85 Ų | 85 | 101.4 Ų | 101.4 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62 | -37.8 | 175.9 | -72.4 | -179.6 | -26.1 | 0 | 0 | 113.3 | Q305 F306 Q311 L313 | Q305-Q309 WeakPolarHBondContact O-CB 3.46Å; Q305-Q309 VanDerWaalsContact O-CG 3.32Å; Q305-Q309 WeakPolarHBondContact O-CG 3.16Å; Q305-Q309 PolarHBondContact O-N 3.43Å; F306-Q309 PolarHBondContact O-N 3.5Å; Q309-Q311 VanDerWaalsContact C-N 3.32Å; Q309-L313 WeakPolarHBondContact O-CB 3.34Å; Q309-L313 PolarHBondContact O-N 2.83Å |
| 310 | L | 95.4 | Very high | 94.7 | Very high | 116 Ų | 116 | 101 Ų | 101 | 61% | 0.607 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.3 | -37.3 | 174.2 | -77.5 | 168.8 | 0 | 0 | 0 | 111.3 | F306 R307 D308 L313 Q314 | F306-L310 VanDerWaalsContact O-CB 3.28Å; F306-L310 WeakPolarHBondContact O-CB 3.44Å; F306-L310 WeakPolarHBondContact O-CG 3.42Å; F306-L310 PolarHBondContact O-N 2.75Å; R307-L310 PolarHBondContact O-N 3.25Å; D308-L310 VanDerWaalsContact C-N 3.33Å; D308-L310 PolarHBondContact O-N 2.87Å; L310-L313 PolarHBondContact O-N 3.47Å; L310-Q314 WeakPolarHBondContact O-CB 3.38Å; L310-Q314 PolarHBondContact O-N 3.43Å |
| 311 | Q | 95.2 | Very high | 94.8 | Very high | 108 Ų | 108 | 105.3 Ų | 105.3 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.8 | -44.2 | 177 | -171.8 | 170.2 | -17.8 | 0 | 0 | 111.4 | R307 D308 Q309 L313 Q314 D315 | R307-Q311 WeakPolarHBondContact O-CB 3.43Å; R307-Q311 PolarHBondContact O-N 2.6Å; D308-Q311 WeakPolarHBondContact O-CA 3.42Å; D308-Q311 WeakPolarHBondContact O-CB 2.82Å; D308-Q311 PolarHBondContact O-N 2.86Å; Q309-Q311 VanDerWaalsContact C-N 3.32Å; Q311-L313 VanDerWaalsContact C-N 3.32Å; Q311-L313 PolarHBondContact O-N 3.41Å; Q311-Q314 WeakPolarHBondContact O-CB 3.03Å; Q311-Q314 PolarHBondContact O-N 2.9Å; Q311-D315 PolarHBondContact O-N 2.74Å |
| 312 | D | 96.4 | Very high | 94.8 | Very high | 91 Ų | 91 | 101.8 Ų | 101.8 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 173.4 | -79.3 | -16.9 | 0 | 0 | 0 | 112 | D308 Q314 D315 V316 | D308-D312 PolarHBondContact O-N 3.49Å; D312-Q314 VanDerWaalsContact C-N 3.34Å; D312-D315 PolarHBondContact O-N 3.5Å; D312-V316 WeakPolarHBondContact O-CG2 3.29Å; D312-V316 PolarHBondContact O-N 3.3Å |
| 313 | L | 93.1 | Very high | 95 | Very high | 100 Ų | 100 | 106.3 Ų | 106.3 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 177.2 | -175.1 | 63.1 | 0 | 0 | 0 | 111.3 | Q309 L310 Q311 D315 V316 I317 | Q309-L313 WeakPolarHBondContact O-CB 3.34Å; Q309-L313 PolarHBondContact O-N 2.83Å; L310-L313 PolarHBondContact O-N 3.47Å; Q311-L313 VanDerWaalsContact C-N 3.32Å; Q311-L313 PolarHBondContact O-N 3.41Å; L313-D315 VanDerWaalsContact C-N 3.33Å; L313-V316 PolarHBondContact O-N 3.25Å; L313-I317 HydrophobicContact CD1-CD1 4.48Å; L313-I317 HydrophobicContact CG-CD1 4.03Å; L313-I317 WeakPolarHBondContact O-CB 3.24Å; L313-I317 VanDerWaalsContact O-CG1 3.24Å; L313-I317 WeakPolarHBondContact O-CG1 3.44Å; L313-I317 PolarHBondContact O-N 3.04Å |
| 314 | Q | 96.2 | Very high | 94.9 | Very high | 134 Ų | 134 | 104 Ų | 104 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 174.8 | -177.7 | 174.4 | -6.4 | 0 | 0 | 111.2 | L310 Q311 D312 I317 A318 | L310-Q314 WeakPolarHBondContact O-CB 3.38Å; L310-Q314 PolarHBondContact O-N 3.43Å; Q311-Q314 WeakPolarHBondContact O-CB 3.03Å; Q311-Q314 PolarHBondContact O-N 2.9Å; D312-Q314 VanDerWaalsContact C-N 3.34Å; Q314-I317 PolarHBondContact O-N 3.48Å; Q314-A318 WeakPolarHBondContact O-CB 3.19Å; Q314-A318 PolarHBondContact O-N 3.29Å |
| 315 | D | 96.2 | Very high | 94.9 | Very high | 68 Ų | 68 | 102.6 Ų | 102.6 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 176.5 | -76.7 | -3.3 | 0 | 0 | 0 | 112.1 | Q311 D312 L313 A318 R319 | Q311-D315 PolarHBondContact O-N 2.74Å; D312-D315 PolarHBondContact O-N 3.5Å; L313-D315 VanDerWaalsContact C-N 3.33Å; D315-A318 PolarHBondContact O-N 2.97Å; D315-R319 WeakPolarHBondContact O-CB 3.17Å; D315-R319 VanDerWaalsContact O-CG 3.22Å; D315-R319 WeakPolarHBondContact O-CG 3.48Å; D315-R319 PolarHBondContact O-N 2.84Å |
| 316 | V | 95.8 | Very high | 94.8 | Very high | 86 Ų | 86 | 103.5 Ų | 103.5 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 175.5 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | D312 L313 R319 S320 | D312-V316 WeakPolarHBondContact O-CG2 3.29Å; D312-V316 PolarHBondContact O-N 3.3Å; L313-V316 PolarHBondContact O-N 3.25Å; V316-R319 PolarHBondContact O-N 3.45Å; V316-S320 WeakPolarHBondContact O-CB 3.43Å; V316-S320 PolarHBondContact O-N 3.21Å |
| 317 | I | 95.6 | Very high | 94.7 | Very high | 84 Ų | 84 | 102.9 Ų | 102.9 | 43% | 0.431 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 175.5 | -70.4 | 165.5 | 0 | 0 | 0 | 110.2 | L313 Q314 R319 S320 Q321 | L313-I317 HydrophobicContact CD1-CD1 4.48Å; L313-I317 HydrophobicContact CG-CD1 4.03Å; L313-I317 WeakPolarHBondContact O-CB 3.24Å; L313-I317 VanDerWaalsContact O-CG1 3.24Å; L313-I317 WeakPolarHBondContact O-CG1 3.44Å; L313-I317 PolarHBondContact O-N 3.04Å; Q314-I317 PolarHBondContact O-N 3.48Å; I317-R319 PolarHBondContact O-N 2.87Å; I317-S320 WeakPolarHBondContact O-CB 3.38Å; I317-S320 PolarHBondContact O-N 3.19Å; I317-S320 VanDerWaalsContact O-N 3.09Å; I317-Q321 HydrophobicContact CG2-CG 4.41Å; I317-Q321 WeakPolarHBondContact O-CG 3.49Å; I317-Q321 PolarHBondContact O-N 2.89Å |
| 318 | A | 95.8 | Very high | 94.5 | Very high | 39 Ų | 39 | 99.9 Ų | 99.9 | 32% | 0.322 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.2 | -47.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q314 D315 S320 Q321 D322 | Q314-A318 WeakPolarHBondContact O-CB 3.19Å; Q314-A318 PolarHBondContact O-N 3.29Å; D315-A318 PolarHBondContact O-N 2.97Å; A318-S320 VanDerWaalsContact C-N 3.26Å; A318-S320 PolarHBondContact O-N 3.35Å; A318-Q321 WeakPolarHBondContact O-CB 3.18Å; A318-Q321 PolarHBondContact O-N 3.04Å; A318-Q321 VanDerWaalsContact O-N 3.12Å; A318-D322 PolarHBondContact O-N 3.5Å |
| 319 | R | 95.3 | Very high | 94.3 | Very high | 155 Ų | 155 | 102.2 Ų | 102.2 | 59% | 0.585 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.4 | -34.3 | 175.6 | -69.1 | 171 | -164.6 | -176.7 | 8.7 | 112.9 | D315 V316 I317 K323 | D315-R319 WeakPolarHBondContact O-CB 3.17Å; D315-R319 VanDerWaalsContact O-CG 3.22Å; D315-R319 WeakPolarHBondContact O-CG 3.48Å; D315-R319 PolarHBondContact O-N 2.84Å; V316-R319 PolarHBondContact O-N 3.45Å; I317-R319 PolarHBondContact O-N 2.87Å; R319-K323 WeakPolarHBondContact O-CB 3.21Å; R319-K323 VanDerWaalsContact O-CG 3.26Å; R319-K323 WeakPolarHBondContact O-CG 3.39Å; R319-K323 PolarHBondContact O-N 3.32Å; R319-K323 VanDerWaalsContact O-N 3.15Å |
| 320 | S | 92.1 | Very high | 94 | Very high | 73 Ų | 73 | 100.9 Ų | 100.9 | 51% | 0.51 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.4 | -36.6 | 176.7 | -171.6 | 0 | 0 | 0 | 0 | 111.7 | V316 I317 A318 K323 N324 | V316-S320 WeakPolarHBondContact O-CB 3.43Å; V316-S320 PolarHBondContact O-N 3.21Å; I317-S320 WeakPolarHBondContact O-CB 3.38Å; I317-S320 PolarHBondContact O-N 3.19Å; I317-S320 VanDerWaalsContact O-N 3.09Å; A318-S320 VanDerWaalsContact C-N 3.26Å; A318-S320 PolarHBondContact O-N 3.35Å; S320-K323 PolarHBondContact O-N 3.3Å; S320-N324 WeakPolarHBondContact O-CB 3.21Å; S320-N324 PolarHBondContact O-N 3.46Å |
| 321 | Q | 95.4 | Very high | 93.6 | Very high | 115 Ų | 115 | 99.3 Ų | 99.3 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -48.3 | 174.5 | -73.6 | 175.5 | -32.9 | 0 | 0 | 110.4 | I317 A318 K323 N324 E325 | I317-Q321 HydrophobicContact CG2-CG 4.41Å; I317-Q321 WeakPolarHBondContact O-CG 3.49Å; I317-Q321 PolarHBondContact O-N 2.89Å; A318-Q321 WeakPolarHBondContact O-CB 3.18Å; A318-Q321 PolarHBondContact O-N 3.04Å; A318-Q321 VanDerWaalsContact O-N 3.12Å; Q321-K323 VanDerWaalsContact C-N 3.29Å; Q321-K323 PolarHBondContact O-N 3.39Å; Q321-N324 WeakPolarHBondContact O-CB 3.38Å; Q321-N324 PolarHBondContact O-N 3.15Å; Q321-E325 WeakPolarHBondContact O-CG 3.31Å; Q321-E325 PolarHBondContact O-N 2.87Å |
| 322 | D | 94.7 | Very high | 93.2 | Very high | 103 Ų | 103 | 99.8 Ų | 99.8 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.9 | -43.1 | 176.1 | -65.9 | -18 | 0 | 0 | 0 | 112 | A318 E325 S326 | A318-D322 PolarHBondContact O-N 3.5Å; D322-E325 PolarHBondContact O-N 3.46Å; D322-S326 WeakPolarHBondContact O-CB 3.47Å; D322-S326 PolarHBondContact O-N 3.47Å |
| 323 | K | 95.2 | Very high | 92.6 | Very high | 144 Ų | 144 | 100 Ų | 100 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.9 | -40.2 | 175.8 | -76.6 | 175.7 | -178.4 | 179.7 | 0 | 112.1 | R319 S320 Q321 S326 I327 | R319-K323 WeakPolarHBondContact O-CB 3.21Å; R319-K323 VanDerWaalsContact O-CG 3.26Å; R319-K323 WeakPolarHBondContact O-CG 3.39Å; R319-K323 PolarHBondContact O-N 3.32Å; R319-K323 VanDerWaalsContact O-N 3.15Å; S320-K323 PolarHBondContact O-N 3.3Å; Q321-K323 VanDerWaalsContact C-N 3.29Å; Q321-K323 PolarHBondContact O-N 3.39Å; K323-S326 PolarHBondContact O-N 3.32Å; K323-I327 WeakPolarHBondContact O-CB 3.15Å; K323-I327 VanDerWaalsContact O-CG1 3.28Å; K323-I327 WeakPolarHBondContact O-CG1 3.33Å; K323-I327 PolarHBondContact O-N 3.07Å |
| 324 | N | 91.6 | Very high | 92 | Very high | 100 Ų | 100 | 100.9 Ų | 100.9 | 54% | 0.535 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 178.2 | -168.1 | 59.4 | 0 | 0 | 0 | 111.1 | S320 Q321 I327 E328 | S320-N324 WeakPolarHBondContact O-CB 3.21Å; S320-N324 PolarHBondContact O-N 3.46Å; Q321-N324 WeakPolarHBondContact O-CB 3.38Å; Q321-N324 PolarHBondContact O-N 3.15Å; N324-I327 PolarHBondContact O-N 2.86Å; N324-E328 WeakPolarHBondContact O-CB 3.19Å; N324-E328 PolarHBondContact O-N 2.82Å |
| 325 | E | 93.7 | Very high | 91.2 | Very high | 127 Ų | 127 | 101 Ų | 101 | 59% | 0.593 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.8 | -41.1 | 174.4 | -69.7 | -179.2 | -172.6 | 0 | 0 | 112 | Q321 D322 E328 K329 | Q321-E325 WeakPolarHBondContact O-CG 3.31Å; Q321-E325 PolarHBondContact O-N 2.87Å; D322-E325 PolarHBondContact O-N 3.46Å; E325-E328 PolarHBondContact O-N 3.49Å; E325-K329 WeakPolarHBondContact O-CB 3.31Å; E325-K329 PolarHBondContact O-N 3.14Å |
| 326 | S | 94 | Very high | 90.1 | Very high | 80 Ų | 80 | 105 Ų | 105 | 56% | 0.559 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.6 | -42.7 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 112.4 | D322 K323 K329 A330 | D322-S326 WeakPolarHBondContact O-CB 3.47Å; D322-S326 PolarHBondContact O-N 3.47Å; K323-S326 PolarHBondContact O-N 3.32Å; S326-K329 PolarHBondContact O-N 3.21Å; S326-A330 PolarHBondContact O-N 3.47Å |
| 327 | I | 90.3 | Very high | 88.9 | Confident | 104 Ų | 104 | 104.7 Ų | 104.7 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67 | -42.6 | 175.8 | -69.9 | 167.3 | 0 | 0 | 0 | 110.4 | K323 N324 K329 A330 V331 | K323-I327 WeakPolarHBondContact O-CB 3.15Å; K323-I327 VanDerWaalsContact O-CG1 3.28Å; K323-I327 WeakPolarHBondContact O-CG1 3.33Å; K323-I327 PolarHBondContact O-N 3.07Å; N324-I327 PolarHBondContact O-N 2.86Å; I327-K329 VanDerWaalsContact C-N 3.28Å; I327-K329 PolarHBondContact O-N 2.86Å; I327-A330 PolarHBondContact O-N 3.03Å; I327-V331 HydrophobicContact CG2-CG2 4.21Å; I327-V331 VanDerWaalsContact O-CG2 3.31Å; I327-V331 WeakPolarHBondContact O-CG2 3.33Å; I327-V331 PolarHBondContact O-N 2.85Å |
| 328 | E | 92.7 | Very high | 87.5 | Confident | 93 Ų | 93 | 106 Ų | 106 | 44% | 0.435 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.9 | -41 | 177.9 | -170 | -174.7 | 151.5 | 0 | 0 | 111.2 | N324 E325 V331 K332 | N324-E328 WeakPolarHBondContact O-CB 3.19Å; N324-E328 PolarHBondContact O-N 2.82Å; E325-E328 PolarHBondContact O-N 3.49Å; E328-V331 PolarHBondContact O-N 3.21Å; E328-K332 WeakPolarHBondContact O-CG 3.41Å; E328-K332 PolarHBondContact O-N 3.45Å; E328-K332 VanDerWaalsContact OE1-CE 3.32Å; E328-K332 WeakPolarHBondContact OE1-CE 3.5Å; E328-K332 IonicContact OE1-NZ 2.69Å; E328-K332 PolarHBondContact OE1-NZ 3.47Å |
| 329 | K | 90.5 | Very high | 85.5 | Confident | 141 Ų | 141 | 106.5 Ų | 106.5 | 61% | 0.613 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.5 | -47.3 | 173.6 | -170.7 | 178.1 | 178.8 | -177.5 | 0 | 111.9 | E325 S326 I327 V331 K332 D333 | E325-K329 WeakPolarHBondContact O-CB 3.31Å; E325-K329 PolarHBondContact O-N 3.14Å; S326-K329 PolarHBondContact O-N 3.21Å; I327-K329 VanDerWaalsContact C-N 3.28Å; I327-K329 PolarHBondContact O-N 2.86Å; K329-V331 VanDerWaalsContact C-N 3.28Å; K329-V331 PolarHBondContact O-N 2.89Å; K329-K332 PolarHBondContact O-N 2.92Å; K329-D333 PolarHBondContact O-N 3.41Å |
| 330 | A | 90.3 | Very high | 83.3 | Confident | 58 Ų | 58 | 106.5 Ų | 106.5 | 48% | 0.479 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61 | -37 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S326 I327 L334 | S326-A330 PolarHBondContact O-N 3.47Å; I327-A330 PolarHBondContact O-N 3.03Å; A330-L334 WeakPolarHBondContact O-CB 3.28Å; A330-L334 PolarHBondContact O-N 2.83Å; A330-L334 VanDerWaalsContact O-N 3.14Å |
| 331 | V | 86.6 | Confident | 81.5 | Confident | 82 Ų | 82 | 110.7 Ų | 110.7 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.4 | -42.6 | 175.2 | 171 | 0 | 0 | 0 | 0 | 111.3 | I327 E328 K329 D333 L334 Q335 | I327-V331 HydrophobicContact CG2-CG2 4.21Å; I327-V331 VanDerWaalsContact O-CG2 3.31Å; I327-V331 WeakPolarHBondContact O-CG2 3.33Å; I327-V331 PolarHBondContact O-N 2.85Å; E328-V331 PolarHBondContact O-N 3.21Å; K329-V331 VanDerWaalsContact C-N 3.28Å; K329-V331 PolarHBondContact O-N 2.89Å; V331-D333 PolarHBondContact O-N 3.4Å; V331-L334 PolarHBondContact O-N 3.21Å; V331-Q335 WeakPolarHBondContact O-CB 3.23Å; V331-Q335 PolarHBondContact O-N 3.42Å |
| 332 | K | 85.9 | Confident | 79.4 | Confident | 119 Ų | 119 | 112.3 Ų | 112.3 | 52% | 0.517 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60.4 | -44 | 176.2 | -78.4 | 176.6 | -174.9 | 161.9 | 0 | 111.9 | E328 K329 L334 Q335 Q336 | E328-K332 WeakPolarHBondContact O-CG 3.41Å; E328-K332 PolarHBondContact O-N 3.45Å; E328-K332 VanDerWaalsContact OE1-CE 3.32Å; E328-K332 WeakPolarHBondContact OE1-CE 3.5Å; E328-K332 IonicContact OE1-NZ 2.69Å; E328-K332 PolarHBondContact OE1-NZ 3.47Å; K329-K332 PolarHBondContact O-N 2.92Å; K332-L334 VanDerWaalsContact C-N 3.34Å; K332-L334 PolarHBondContact O-N 2.65Å; K332-Q335 PolarHBondContact O-N 2.84Å; K332-Q336 WeakPolarHBondContact O-CB 3.37Å; K332-Q336 PolarHBondContact O-N 2.94Å |
| 333 | D | 84.7 | Confident | 77.2 | Confident | 94 Ų | 94 | 113.3 Ų | 113.3 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.1 | -42.2 | 177.5 | -68.4 | -14.8 | 0 | 0 | 0 | 111.3 | K329 V331 Q336 A337 | K329-D333 PolarHBondContact O-N 3.41Å; V331-D333 PolarHBondContact O-N 3.4Å; D333-Q336 PolarHBondContact O-N 2.84Å; D333-A337 PolarHBondContact O-N 3.41Å; D333-A337 VanDerWaalsContact O-N 3.09Å |
| 334 | L | 80.6 | Confident | 75.2 | Confident | 119 Ų | 119 | 111 Ų | 111 | 62% | 0.623 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.1 | -39.1 | 178 | -164.3 | 140.2 | 0 | 0 | 0 | 112.1 | A330 V331 K332 A337 V338 | A330-L334 WeakPolarHBondContact O-CB 3.28Å; A330-L334 PolarHBondContact O-N 2.83Å; A330-L334 VanDerWaalsContact O-N 3.14Å; V331-L334 PolarHBondContact O-N 3.21Å; K332-L334 VanDerWaalsContact C-N 3.34Å; K332-L334 PolarHBondContact O-N 2.65Å; L334-A337 PolarHBondContact O-N 2.63Å; L334-V338 HydrophobicContact CD2-CG2 4.1Å; L334-V338 WeakPolarHBondContact O-CB 3.47Å; L334-V338 VanDerWaalsContact O-CG2 3.27Å; L334-V338 WeakPolarHBondContact O-CG2 3.37Å; L334-V338 PolarHBondContact O-N 3.31Å |
| 335 | Q | 77.8 | Confident | 73.4 | Confident | 137 Ų | 137 | 113.5 Ų | 113.5 | 64% | 0.64 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.9 | -37.4 | 176.5 | -174.1 | 171.1 | -9.1 | 0 | 0 | 111.9 | V331 K332 A337 V338 G339 | V331-Q335 WeakPolarHBondContact O-CB 3.23Å; V331-Q335 PolarHBondContact O-N 3.42Å; K332-Q335 PolarHBondContact O-N 2.84Å; Q335-A337 VanDerWaalsContact C-N 3.34Å; Q335-V338 PolarHBondContact O-N 3.45Å; Q335-G339 WeakPolarHBondContact O-CA 3.15Å; Q335-G339 PolarHBondContact O-N 3.21Å |
| 336 | Q | 74.9 | Confident | 71.6 | Confident | 151 Ų | 151 | 111.8 Ų | 111.8 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.1 | -37.9 | 174.9 | -169.4 | 169.2 | -4.6 | 0 | 0 | 111.5 | K332 D333 | K332-Q336 WeakPolarHBondContact O-CB 3.37Å; K332-Q336 PolarHBondContact O-N 2.94Å; D333-Q336 PolarHBondContact O-N 2.84Å |
| 337 | A | 69.6 | Low | 69.8 | Low | 80 Ų | 80 | 115.2 Ų | 115.2 | 66% | 0.661 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.2 | -33.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D333 L334 Q335 | D333-A337 PolarHBondContact O-N 3.41Å; D333-A337 VanDerWaalsContact O-N 3.09Å; L334-A337 PolarHBondContact O-N 2.63Å; Q335-A337 VanDerWaalsContact C-N 3.34Å |
| 338 | V | 65.6 | Low | 68.1 | Low | 111 Ų | 111 | 114.3 Ų | 114.3 | 67% | 0.673 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -87.2 | -24.8 | -178.5 | 174.3 | 0 | 0 | 0 | 0 | 112.3 | L334 Q335 | L334-V338 HydrophobicContact CD2-CG2 4.1Å; L334-V338 WeakPolarHBondContact O-CB 3.47Å; L334-V338 VanDerWaalsContact O-CG2 3.27Å; L334-V338 WeakPolarHBondContact O-CG2 3.37Å; L334-V338 PolarHBondContact O-N 3.31Å; Q335-V338 PolarHBondContact O-N 3.45Å |
| 339 | G | 54 | Low | 66.6 | Low | 50 Ų | 50 | 111.4 Ų | 111.4 | 52% | 0.515 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -77 | -33.5 | -157.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q335 | Q335-G339 WeakPolarHBondContact O-CA 3.15Å; Q335-G339 PolarHBondContact O-N 3.21Å |
| 340 | L | 50 | Low | 65.4 | Low | 156 Ų | 156 | 105.7 Ų | 105.7 | 82% | 0.817 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -143.7 | -2.5 | -158.2 | -95.8 | 159.1 | 0 | 0 | 0 | 119.1 | ||
| 341 | E | 52.9 | Low | 64.3 | Low | 160 Ų | 160 | 110 Ų | 110 | 75% | 0.748 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -103 | -28.5 | -166.2 | -49.6 | -160.2 | -158.4 | 0 | 0 | 115.5 | ||
| 342 | N | 51.4 | Low | 63.6 | Low | 149 Ų | 149 | 109.3 Ų | 109.3 | 80% | 0.797 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -118.9 | -6.8 | -164.1 | -88 | 16.7 | 0 | 0 | 0 | 118.3 | ||
| 343 | L | 49.4 | Very low | 63.1 | Low | 124 Ų | 124 | 106.9 Ų | 106.9 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -106.9 | -5 | -169.2 | -81.1 | 156.4 | 0 | 0 | 0 | 115.8 | L353 | L343-L353 HydrophobicContact CD2-CD1 3.71Å; L343-L353 HydrophobicContact CD2-CD2 4.18Å |
| 344 | S | 53.4 | Low | 62.7 | Low | 95 Ų | 95 | 111.1 Ų | 111.1 | 66% | 0.664 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -90 | -11.7 | -180 | 59.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 345 | N | 52.9 | Low | 62.8 | Low | 153 Ų | 153 | 108.2 Ų | 108.2 | 82% | 0.818 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -93.7 | 12.6 | -171.3 | -91.2 | 10.1 | 0 | 0 | 0 | 116.2 | ||
| 346 | V | 57.3 | Low | 63.2 | Low | 91 Ų | 91 | 107 Ų | 107 | 55% | 0.552 | 62% | 0.62 | S | S | * | * | trans | -118.7 | 89.4 | 176.1 | -169 | 0 | 0 | 0 | 0 | 109.4 | A348 G349 G350 | V346-A348 VanDerWaalsContact C-N 3.26Å; V346-A348 PolarHBondContact O-N 2.77Å; V346-G349 PolarHBondContact O-N 3.42Å; V346-G350 WeakPolarHBondContact O-CA 3.29Å; V346-G350 PolarHBondContact O-N 2.86Å | ||
| 347 | D | 55.9 | Low | 63.6 | Low | 153 Ų | 153 | 104 Ų | 104 | 82% | 0.818 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -25.7 | -173.6 | -95.5 | -28.8 | 0 | 0 | 0 | 114.9 | ||
| 348 | A | 54.8 | Low | 64.5 | Low | 85 Ų | 85 | 105.4 Ų | 105.4 | 70% | 0.702 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -36.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V346 G350 | V346-A348 VanDerWaalsContact C-N 3.26Å; V346-A348 PolarHBondContact O-N 2.77Å; A348-G350 VanDerWaalsContact C-N 3.32Å |
| 349 | G | 60.7 | Low | 65.5 | Low | 31 Ų | 31 | 106.4 Ų | 106.4 | 32% | 0.32 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.1 | -29.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V346 Q351 A352 L353 | V346-G349 PolarHBondContact O-N 3.42Å; G349-Q351 VanDerWaalsContact C-N 3.32Å; G349-Q351 PolarHBondContact O-N 3.49Å; G349-A352 PolarHBondContact O-N 3.2Å; G349-L353 WeakPolarHBondContact O-CB 3.37Å; G349-L353 PolarHBondContact O-N 2.77Å |
| 350 | G | 66 | Low | 67.2 | Low | 21 Ų | 21 | 108 Ų | 108 | 22% | 0.216 | 60% | 0.596 | C | S | . | * | H | α-helix | trans | -64.4 | -33.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V346 A348 R354 | V346-G350 WeakPolarHBondContact O-CA 3.29Å; V346-G350 PolarHBondContact O-N 2.86Å; A348-G350 VanDerWaalsContact C-N 3.32Å; G350-R354 VanDerWaalsContact O-CB 3.25Å; G350-R354 WeakPolarHBondContact O-CB 3.32Å; G350-R354 WeakPolarHBondContact O-CG 3.48Å; G350-R354 PolarHBondContact O-N 3.36Å |
| 351 | Q | 66.7 | Low | 69.1 | Low | 149 Ų | 149 | 106.7 Ų | 106.7 | 70% | 0.696 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.3 | -43 | 174.6 | -65.8 | -173.3 | 6.8 | 0 | 0 | 111.7 | G349 R354 A355 | G349-Q351 VanDerWaalsContact C-N 3.32Å; G349-Q351 PolarHBondContact O-N 3.49Å; Q351-R354 PolarHBondContact O-N 3.47Å; Q351-A355 WeakPolarHBondContact O-CB 3.23Å; Q351-A355 PolarHBondContact O-N 2.86Å |
| 352 | A | 71.9 | Confident | 71 | Confident | 67 Ų | 67 | 103.8 Ų | 103.8 | 55% | 0.554 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65 | -39.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G349 A355 L356 | G349-A352 PolarHBondContact O-N 3.2Å; A352-A355 PolarHBondContact O-N 3.34Å; A352-L356 WeakPolarHBondContact O-CB 3.42Å; A352-L356 PolarHBondContact O-N 3.46Å |
| 353 | L | 75.6 | Confident | 72.8 | Confident | 68 Ų | 68 | 99.8 Ų | 99.8 | 36% | 0.356 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.4 | -39.3 | 177 | -166.9 | 129.8 | 0 | 0 | 0 | 111 | L343 G349 L356 L357 | L343-L353 HydrophobicContact CD2-CD1 3.71Å; L343-L353 HydrophobicContact CD2-CD2 4.18Å; G349-L353 WeakPolarHBondContact O-CB 3.37Å; G349-L353 PolarHBondContact O-N 2.77Å; L353-L356 PolarHBondContact O-N 2.9Å; L353-L357 HydrophobicContact CD2-CD1 3.71Å; L353-L357 HydrophobicContact CD2-CG 4.27Å; L353-L357 WeakPolarHBondContact O-CB 3.29Å; L353-L357 WeakPolarHBondContact O-CG 3.49Å; L353-L357 PolarHBondContact O-N 2.93Å |
| 354 | R | 76.6 | Confident | 74.8 | Confident | 183 Ų | 183 | 98.5 Ų | 98.5 | 69% | 0.691 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.5 | -44.2 | 169.5 | -80.9 | 175.7 | -174.2 | -177 | 4.1 | 111.9 | G350 Q351 L356 L357 L358 | G350-R354 VanDerWaalsContact O-CB 3.25Å; G350-R354 WeakPolarHBondContact O-CB 3.32Å; G350-R354 WeakPolarHBondContact O-CG 3.48Å; G350-R354 PolarHBondContact O-N 3.36Å; Q351-R354 PolarHBondContact O-N 3.47Å; R354-L356 VanDerWaalsContact C-N 3.34Å; R354-L356 PolarHBondContact O-N 3.34Å; R354-L357 PolarHBondContact O-N 3.04Å; R354-L358 VanDerWaalsContact O-CG 3.32Å; R354-L358 WeakPolarHBondContact O-CG 3.12Å; R354-L358 PolarHBondContact O-N 2.79Å |
| 355 | A | 82.7 | Confident | 76.7 | Confident | 59 Ų | 59 | 100.9 Ų | 100.9 | 49% | 0.488 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q351 A352 L358 F359 | Q351-A355 WeakPolarHBondContact O-CB 3.23Å; Q351-A355 PolarHBondContact O-N 2.86Å; A352-A355 PolarHBondContact O-N 3.34Å; A355-L358 PolarHBondContact O-N 2.97Å; A355-F359 WeakPolarHBondContact O-CB 3.24Å; A355-F359 PolarHBondContact O-N 3.31Å |
| 356 | L | 84.4 | Confident | 78.4 | Confident | 111 Ų | 111 | 98.6 Ų | 98.6 | 58% | 0.581 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.9 | -41.8 | 174.9 | -169.6 | 108.3 | 0 | 0 | 0 | 111.8 | A352 L353 R354 F359 L360 | A352-L356 WeakPolarHBondContact O-CB 3.42Å; A352-L356 PolarHBondContact O-N 3.46Å; L353-L356 PolarHBondContact O-N 2.9Å; R354-L356 VanDerWaalsContact C-N 3.34Å; R354-L356 PolarHBondContact O-N 3.34Å; L356-F359 PolarHBondContact O-N 3.26Å; L356-L360 VanDerWaalsContact O-CB 3.27Å; L356-L360 WeakPolarHBondContact O-CB 3.2Å; L356-L360 PolarHBondContact O-N 3.48Å |
| 357 | L | 85 | Confident | 80 | Confident | 88 Ų | 88 | 99.6 Ų | 99.6 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 175.8 | -73.2 | 174.1 | 0 | 0 | 0 | 111.5 | L353 R354 L360 Q361 | L353-L357 HydrophobicContact CD2-CD1 3.71Å; L353-L357 HydrophobicContact CD2-CG 4.27Å; L353-L357 WeakPolarHBondContact O-CB 3.29Å; L353-L357 WeakPolarHBondContact O-CG 3.49Å; L353-L357 PolarHBondContact O-N 2.93Å; R354-L357 PolarHBondContact O-N 3.04Å; L357-L360 PolarHBondContact O-N 3.24Å; L357-Q361 WeakPolarHBondContact O-CB 3.17Å; L357-Q361 PolarHBondContact O-N 2.87Å |
| 358 | L | 87.9 | Confident | 81.6 | Confident | 109 Ų | 109 | 97.7 Ų | 97.7 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64 | -43 | 173.9 | -71.7 | 176 | 0 | 0 | 0 | 111.4 | R354 A355 Q361 I362 | R354-L358 VanDerWaalsContact O-CG 3.32Å; R354-L358 WeakPolarHBondContact O-CG 3.12Å; R354-L358 PolarHBondContact O-N 2.79Å; A355-L358 PolarHBondContact O-N 2.97Å; L358-Q361 PolarHBondContact O-N 2.88Å; L358-I362 VanDerWaalsContact O-CG1 3.28Å; L358-I362 WeakPolarHBondContact O-CG1 3.06Å; L358-I362 PolarHBondContact O-N 3.4Å |
| 359 | F | 87.1 | Confident | 83 | Confident | 133 Ų | 133 | 95.7 Ų | 95.7 | 58% | 0.583 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.7 | -45.2 | 176.1 | -175.9 | -105.5 | 0 | 0 | 0 | 112 | A355 L356 Q361 I362 I363 | A355-F359 WeakPolarHBondContact O-CB 3.24Å; A355-F359 PolarHBondContact O-N 3.31Å; L356-F359 PolarHBondContact O-N 3.26Å; F359-Q361 VanDerWaalsContact C-N 3.3Å; F359-Q361 PolarHBondContact O-N 2.94Å; F359-I362 WeakPolarHBondContact O-CB 3.47Å; F359-I362 PolarHBondContact O-N 3.45Å; F359-I363 HydrophobicContact CD1-CD1 3.71Å; F359-I363 HydrophobicContact CE1-CD1 3.34Å; F359-I363 HydrophobicContact CE1-CG1 4.3Å; F359-I363 HydrophobicContact CZ-CD1 3.91Å; F359-I363 WeakPolarHBondContact O-CG1 3.29Å; F359-I363 PolarHBondContact O-N 3.39Å |
| 360 | L | 89.7 | Confident | 84 | Confident | 82 Ų | 82 | 100 Ų | 100 | 43% | 0.429 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 174.7 | -175.4 | 65.9 | 0 | 0 | 0 | 111.1 | L356 L357 I363 I364 | L356-L360 VanDerWaalsContact O-CB 3.27Å; L356-L360 WeakPolarHBondContact O-CB 3.2Å; L356-L360 PolarHBondContact O-N 3.48Å; L357-L360 PolarHBondContact O-N 3.24Å; L360-I363 WeakPolarHBondContact O-CB 3.34Å; L360-I363 PolarHBondContact O-N 2.93Å; L360-I364 HydrophobicContact CD2-CD1 4.48Å; L360-I364 HydrophobicContact CG-CD1 3.93Å; L360-I364 HydrophobicContact CG-CG1 4.49Å; L360-I364 WeakPolarHBondContact O-CB 3.28Å; L360-I364 VanDerWaalsContact O-CG1 3.23Å; L360-I364 WeakPolarHBondContact O-CG1 3.34Å; L360-I364 PolarHBondContact O-N 3.39Å |
| 361 | Q | 89.8 | Confident | 84.8 | Confident | 129 Ų | 129 | 106.2 Ų | 106.2 | 60% | 0.603 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.3 | -37.3 | 176 | -177.1 | 161 | -19.4 | 0 | 0 | 111.9 | L357 L358 F359 I364 F365 | L357-Q361 WeakPolarHBondContact O-CB 3.17Å; L357-Q361 PolarHBondContact O-N 2.87Å; L358-Q361 PolarHBondContact O-N 2.88Å; F359-Q361 VanDerWaalsContact C-N 3.3Å; F359-Q361 PolarHBondContact O-N 2.94Å; Q361-I364 PolarHBondContact O-N 3.39Å; Q361-F365 VanDerWaalsContact O-CB 3.24Å; Q361-F365 WeakPolarHBondContact O-CB 3.49Å; Q361-F365 PolarHBondContact O-N 2.88Å |
| 362 | I | 91.5 | Very high | 85.5 | Confident | 100 Ų | 100 | 103.8 Ų | 103.8 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 171.6 | -69.5 | 161.5 | 0 | 0 | 0 | 110.4 | L358 F359 F365 L366 | L358-I362 VanDerWaalsContact O-CG1 3.28Å; L358-I362 WeakPolarHBondContact O-CG1 3.06Å; L358-I362 PolarHBondContact O-N 3.4Å; F359-I362 WeakPolarHBondContact O-CB 3.47Å; F359-I362 PolarHBondContact O-N 3.45Å; I362-F365 PolarHBondContact O-N 3.42Å; I362-L366 HydrophobicContact CG2-CD1 4.08Å; I362-L366 WeakPolarHBondContact O-CB 3.27Å; I362-L366 PolarHBondContact O-N 3.03Å |
| 363 | I | 90.1 | Very high | 85.4 | Confident | 64 Ų | 64 | 105.8 Ų | 105.8 | 33% | 0.328 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 175.2 | -69.6 | 169.1 | 0 | 0 | 0 | 110.8 | F359 L360 F365 L366 L367 | F359-I363 HydrophobicContact CD1-CD1 3.71Å; F359-I363 HydrophobicContact CE1-CD1 3.34Å; F359-I363 HydrophobicContact CE1-CG1 4.3Å; F359-I363 HydrophobicContact CZ-CD1 3.91Å; F359-I363 WeakPolarHBondContact O-CG1 3.29Å; F359-I363 PolarHBondContact O-N 3.39Å; L360-I363 WeakPolarHBondContact O-CB 3.34Å; L360-I363 PolarHBondContact O-N 2.93Å; I363-F365 VanDerWaalsContact C-N 3.29Å; I363-F365 PolarHBondContact O-N 3.19Å; I363-L366 WeakPolarHBondContact O-CB 3.49Å; I363-L366 PolarHBondContact O-N 3.47Å; I363-L367 HydrophobicContact CG2-CD1 4.09Å; I363-L367 HydrophobicContact CG2-CG 4.41Å; I363-L367 WeakPolarHBondContact O-CG 3.12Å; I363-L367 PolarHBondContact O-N 2.77Å |
| 364 | I | 91.4 | Very high | 85.2 | Confident | 97 Ų | 97 | 104.9 Ų | 104.9 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 178.2 | -69.3 | 165.1 | 0 | 0 | 0 | 110.2 | L360 Q361 L367 F368 | L360-I364 HydrophobicContact CD2-CD1 4.48Å; L360-I364 HydrophobicContact CG-CD1 3.93Å; L360-I364 HydrophobicContact CG-CG1 4.49Å; L360-I364 WeakPolarHBondContact O-CB 3.28Å; L360-I364 VanDerWaalsContact O-CG1 3.23Å; L360-I364 WeakPolarHBondContact O-CG1 3.34Å; L360-I364 PolarHBondContact O-N 3.39Å; Q361-I364 PolarHBondContact O-N 3.39Å; I364-L367 PolarHBondContact O-N 3.32Å; I364-F368 WeakPolarHBondContact O-CB 3.34Å; I364-F368 PolarHBondContact O-N 2.75Å |
| 365 | F | 92.5 | Very high | 84.9 | Confident | 146 Ų | 146 | 98.5 Ų | 98.5 | 64% | 0.64 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -40.6 | 176.4 | -175.4 | -97.5 | 0 | 0 | 0 | 111.9 | Q361 I362 I363 F368 A369 | Q361-F365 VanDerWaalsContact O-CB 3.24Å; Q361-F365 WeakPolarHBondContact O-CB 3.49Å; Q361-F365 PolarHBondContact O-N 2.88Å; I362-F365 PolarHBondContact O-N 3.42Å; I363-F365 VanDerWaalsContact C-N 3.29Å; I363-F365 PolarHBondContact O-N 3.19Å; F365-F368 PolarHBondContact O-N 3.49Å; F365-A369 WeakPolarHBondContact O-CB 3.28Å; F365-A369 PolarHBondContact O-N 3.03Å |
| 366 | L | 89.6 | Confident | 83.9 | Confident | 105 Ų | 105 | 100.2 Ų | 100.2 | 55% | 0.55 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 171.9 | -90.1 | 156.5 | 0 | 0 | 0 | 111.5 | I362 I363 F368 A369 M370 | I362-L366 HydrophobicContact CG2-CD1 4.08Å; I362-L366 WeakPolarHBondContact O-CB 3.27Å; I362-L366 PolarHBondContact O-N 3.03Å; I363-L366 WeakPolarHBondContact O-CB 3.49Å; I363-L366 PolarHBondContact O-N 3.47Å; L366-F368 VanDerWaalsContact C-N 3.31Å; L366-F368 PolarHBondContact O-N 3.03Å; L366-A369 PolarHBondContact O-N 2.83Å; L366-M370 WeakPolarHBondContact O-CB 3.39Å; L366-M370 VanDerWaalsContact O-CG 3.23Å; L366-M370 WeakPolarHBondContact O-CG 3.24Å; L366-M370 PolarHBondContact O-N 2.87Å |
| 367 | L | 89.7 | Confident | 82.7 | Confident | 112 Ų | 112 | 96.5 Ų | 96.5 | 59% | 0.586 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.7 | -38.4 | 176.1 | -70.5 | 174.7 | 0 | 0 | 0 | 111.7 | I363 I364 M370 W371 | I363-L367 HydrophobicContact CG2-CD1 4.09Å; I363-L367 HydrophobicContact CG2-CG 4.41Å; I363-L367 WeakPolarHBondContact O-CG 3.12Å; I363-L367 PolarHBondContact O-N 2.77Å; I364-L367 PolarHBondContact O-N 3.32Å; L367-M370 PolarHBondContact O-N 3.46Å; L367-W371 VanDerWaalsContact O-CB 3.24Å; L367-W371 WeakPolarHBondContact O-CB 3.4Å; L367-W371 PolarHBondContact O-N 3.38Å |
| 368 | F | 89.1 | Confident | 81.4 | Confident | 112 Ų | 112 | 98.3 Ų | 98.3 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.6 | -40.4 | 175.5 | -173.9 | -102.9 | 0 | 0 | 0 | 111.7 | I364 F365 L366 W371 Q372 | I364-F368 WeakPolarHBondContact O-CB 3.34Å; I364-F368 PolarHBondContact O-N 2.75Å; F365-F368 PolarHBondContact O-N 3.49Å; L366-F368 VanDerWaalsContact C-N 3.31Å; L366-F368 PolarHBondContact O-N 3.03Å; F368-W371 CarbonylContact O-C 3.42Å; F368-W371 WeakPolarHBondContact O-CB 3.19Å; F368-W371 PolarHBondContact O-N 2.82Å; F368-Q372 HydrophobicContact CD1-CG 4.01Å; F368-Q372 HydrophobicContact CE1-CG 3.68Å; F368-Q372 HydrophobicContact CE2-CG 4.43Å; F368-Q372 HydrophobicContact CZ-CG 3.92Å; F368-Q372 WeakPolarHBondContact O-CB 3.27Å; F368-Q372 VanDerWaalsContact O-CG 3.29Å; F368-Q372 WeakPolarHBondContact O-CG 3.4Å; F368-Q372 PolarHBondContact O-N 3.49Å |
| 369 | A | 84.8 | Confident | 79.9 | Confident | 43 Ų | 43 | 103.6 Ų | 103.6 | 36% | 0.355 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | F365 L366 W371 Q372 V373 | F365-A369 WeakPolarHBondContact O-CB 3.28Å; F365-A369 PolarHBondContact O-N 3.03Å; L366-A369 PolarHBondContact O-N 2.83Å; A369-W371 VanDerWaalsContact C-N 3.32Å; A369-W371 PolarHBondContact O-N 3.48Å; A369-Q372 PolarHBondContact O-N 3.26Å; A369-V373 WeakPolarHBondContact O-CG2 3.1Å; A369-V373 PolarHBondContact O-N 2.86Å |
| 370 | M | 81.7 | Confident | 78.7 | Confident | 121 Ų | 121 | 102.3 Ų | 102.3 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.7 | -44.7 | 171.8 | -70.9 | -64.8 | -66.4 | 0 | 0 | 111 | L366 L367 Q372 V373 V374 | L366-M370 WeakPolarHBondContact O-CB 3.39Å; L366-M370 VanDerWaalsContact O-CG 3.23Å; L366-M370 WeakPolarHBondContact O-CG 3.24Å; L366-M370 PolarHBondContact O-N 2.87Å; L367-M370 PolarHBondContact O-N 3.46Å; M370-Q372 VanDerWaalsContact C-N 3.32Å; M370-Q372 PolarHBondContact O-N 2.9Å; M370-V373 PolarHBondContact O-N 3.27Å; M370-V374 VanDerWaalsContact O-CB 3.29Å; M370-V374 WeakPolarHBondContact O-CB 3.48Å; M370-V374 WeakPolarHBondContact O-CG2 3.41Å; M370-V374 PolarHBondContact O-N 2.86Å |
| 371 | W | 83.2 | Confident | 77.6 | Confident | 152 Ų | 152 | 107 Ų | 107 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -35.2 | 177.3 | -176.1 | -96 | 0 | 0 | 0 | 112.3 | L367 F368 A369 V374 S375 | L367-W371 VanDerWaalsContact O-CB 3.24Å; L367-W371 WeakPolarHBondContact O-CB 3.4Å; L367-W371 PolarHBondContact O-N 3.38Å; F368-W371 CarbonylContact O-C 3.42Å; F368-W371 WeakPolarHBondContact O-CB 3.19Å; F368-W371 PolarHBondContact O-N 2.82Å; A369-W371 VanDerWaalsContact C-N 3.32Å; A369-W371 PolarHBondContact O-N 3.48Å; W371-V374 CarbonylContact O-C 3.52Å; W371-V374 PolarHBondContact O-N 3.34Å; W371-S375 WeakPolarHBondContact O-CA 3.45Å; W371-S375 WeakPolarHBondContact O-CB 3.36Å; W371-S375 PolarHBondContact O-N 3.46Å |
| 372 | Q | 80.3 | Confident | 76.3 | Confident | 99 Ų | 99 | 104.5 Ų | 104.5 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75 | -29.9 | 176.7 | -73.3 | -73.4 | 26.5 | 0 | 0 | 113 | F368 A369 M370 P376 | F368-Q372 HydrophobicContact CD1-CG 4.01Å; F368-Q372 HydrophobicContact CE1-CG 3.68Å; F368-Q372 HydrophobicContact CE2-CG 4.43Å; F368-Q372 HydrophobicContact CZ-CG 3.92Å; F368-Q372 WeakPolarHBondContact O-CB 3.27Å; F368-Q372 VanDerWaalsContact O-CG 3.29Å; F368-Q372 WeakPolarHBondContact O-CG 3.4Å; F368-Q372 PolarHBondContact O-N 3.49Å; A369-Q372 PolarHBondContact O-N 3.26Å; M370-Q372 VanDerWaalsContact C-N 3.32Å; M370-Q372 PolarHBondContact O-N 2.9Å; Q372-P376 WeakPolarHBondContact O-CD 3.42Å |
| 373 | V | 71.6 | Confident | 74.9 | Confident | 108 Ų | 108 | 100.8 Ų | 100.8 | 66% | 0.655 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.8 | -40.4 | 169.4 | 172.2 | 0 | 0 | 0 | 0 | 110.1 | A369 M370 P376 | A369-V373 WeakPolarHBondContact O-CG2 3.1Å; A369-V373 PolarHBondContact O-N 2.86Å; M370-V373 PolarHBondContact O-N 3.27Å; V373-P376 WeakPolarHBondContact O-CD 3.43Å |
| 374 | V | 70.1 | Confident | 73.9 | Confident | 50 Ų | 50 | 103.6 Ų | 103.6 | 30% | 0.303 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.2 | -47.7 | 177.3 | 173.3 | 0 | 0 | 0 | 0 | 108.6 | M370 W371 C377 F378 R383 | M370-V374 VanDerWaalsContact O-CB 3.29Å; M370-V374 WeakPolarHBondContact O-CB 3.48Å; M370-V374 WeakPolarHBondContact O-CG2 3.41Å; M370-V374 PolarHBondContact O-N 2.86Å; W371-V374 CarbonylContact O-C 3.52Å; W371-V374 PolarHBondContact O-N 3.34Å; V374-C377 WeakPolarHBondContact O-CA 3.49Å; V374-C377 WeakPolarHBondContact O-CB 3.24Å; V374-C377 PolarHBondContact O-N 2.85Å; V374-F378 HydrophobicContact CG1-CE2 3.85Å; V374-F378 HydrophobicContact CG1-CZ 4.17Å; V374-R383 VanDerWaalsContact C-CZ 3.45Å; V374-R383 VanDerWaalsContact CG1-NH2 3.26Å; V374-R383 PolarHBondContact O-NE 3.11Å; V374-R383 PolarHBondContact O-NH2 2.85Å |
| 375 | S | 70.1 | Confident | 73 | Confident | 49 Ų | 49 | 103.3 Ų | 103.3 | 34% | 0.343 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -42 | -51.1 | -173.7 | -174 | 0 | 0 | 0 | 0 | 116.1 | W371 C377 R383 | W371-S375 WeakPolarHBondContact O-CA 3.45Å; W371-S375 WeakPolarHBondContact O-CB 3.36Å; W371-S375 PolarHBondContact O-N 3.46Å; S375-C377 PolarHBondContact O-N 3Å; S375-R383 VanDerWaalsContact N-NH2 3.19Å; S375-R383 VanDerWaalsContact O-CZ 3.29Å; S375-R383 PolarHBondContact O-NH1 3.3Å; S375-R383 PolarHBondContact O-NH2 3.29Å |
| 376 | P | 62.8 | Low | 72.3 | Confident | 94 Ų | 94 | 99.1 Ų | 99.1 | 61% | 0.61 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -69.7 | -14.5 | 177.2 | 26 | -33 | 0 | 0 | 0 | 113.5 | Q372 V373 | Q372-P376 WeakPolarHBondContact O-CD 3.42Å; V373-P376 WeakPolarHBondContact O-CD 3.43Å |
| 377 | C | 59.2 | Low | 71.6 | Confident | 34 Ų | 34 | 97.1 Ų | 97.1 | 23% | 0.23 | 50% | 0.496 | C | S | . | . | G | 310 helix | trans | -80.1 | -24.8 | -172.1 | -124 | 0 | 0 | 0 | 0 | 113.9 | V374 S375 R379 T382 R383 | V374-C377 WeakPolarHBondContact O-CA 3.49Å; V374-C377 WeakPolarHBondContact O-CB 3.24Å; V374-C377 PolarHBondContact O-N 2.85Å; S375-C377 PolarHBondContact O-N 3Å; C377-R379 VanDerWaalsContact C-N 3.3Å; C377-T382 PolarHBondContact O-OG1 2.86Å; C377-R383 VanDerWaalsContact C-CD 3.45Å; C377-R383 HydrophobicContact CB-CG 3.63Å; C377-R383 WeakPolarHBondContact O-CG 3.34Å; C377-R383 PolarHBondContact O-N 3.42Å |
| 378 | F | 57.2 | Low | 71.2 | Confident | 126 Ų | 126 | 96.2 Ų | 96.2 | 55% | 0.553 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -103.4 | 12.4 | -170.9 | -46 | -79.9 | 0 | 0 | 0 | 106.3 | V374 T380 R383 | V374-F378 HydrophobicContact CG1-CE2 3.85Å; V374-F378 HydrophobicContact CG1-CZ 4.17Å; F378-T380 VanDerWaalsContact C-N 3.31Å; F378-R383 HydrophobicContact CB-CB 4.29Å; F378-R383 HydrophobicContact CB-CG 3.62Å; F378-R383 VanDerWaalsContact CB-NE 3.26Å; F378-R383 HydrophobicContact CD1-CB 3.22Å; F378-R383 HydrophobicContact CD1-CG 3.24Å; F378-R383 HydrophobicContact CD2-CG 4.39Å; F378-R383 HydrophobicContact CE1-CB 3.64Å; F378-R383 HydrophobicContact CE1-CG 3.82Å; F378-R383 HydrophobicContact CG-CB 3.96Å; F378-R383 HydrophobicContact CG-CG 3.43Å; F378-R383 VanDerWaalsContact CG-CG 3.43Å; F378-R383 VanDerWaalsContact CZ-CD 3.46Å; F378-R383 HydrophobicContact CZ-CG 4.47Å; F378-R383 VanDerWaalsContact N-CD 3.25Å |
| 379 | R | 56.4 | Low | 70.7 | Confident | 219 Ų | 219 | 94.5 Ų | 94.5 | 83% | 0.826 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -69.5 | -37.2 | 170.9 | -144.7 | 172.4 | 177.7 | 102.6 | 3 | 110 | C377 | C377-R379 VanDerWaalsContact C-N 3.3Š|
| 380 | T | 61.6 | Low | 70.4 | Confident | 106 Ų | 106 | 96.3 Ų | 96.3 | 65% | 0.65 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -169.5 | 119.6 | 175.5 | 32.4 | 0 | 0 | 0 | 0 | 112.5 | F378 T382 | F378-T380 VanDerWaalsContact C-N 3.31Å; T380-T382 PolarHBondContact O-N 2.86Å |
| 381 | R | 65.7 | Low | 70.6 | Confident | 180 Ų | 180 | 94.7 Ų | 94.7 | 68% | 0.679 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 65.5 | -33.4 | 164.5 | -55.7 | -179.7 | -175.9 | 166.5 | 5.4 | 118.1 | D31 R383 | D31-R381 IonicContact OD2-CZ 3.34Å; D31-R381 IonicContact OD2-NH2 3.96Å; D31-R381 PolarHBondContact OD2-NH2 3.49Å; R381-R383 PolarHBondContact O-N 3.41Å |
| 382 | T | 63.1 | Low | 70.6 | Confident | 77 Ų | 77 | 91.6 Ų | 91.6 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74 | -24.4 | -177.1 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | C377 T380 L384 V385 T386 | C377-T382 PolarHBondContact O-OG1 2.86Å; T380-T382 PolarHBondContact O-N 2.86Å; T382-L384 VanDerWaalsContact C-N 3.35Å; T382-L384 PolarHBondContact O-N 3.06Å; T382-V385 PolarHBondContact O-N 2.78Å; T382-T386 VanDerWaalsContact O-CG2 3.25Å; T382-T386 WeakPolarHBondContact O-CG2 3.24Å; T382-T386 PolarHBondContact O-N 3.31Å; T382-T386 PolarHBondContact O-OG1 3.22Å |
| 383 | R | 62 | Low | 70.8 | Confident | 23 Ų | 23 | 90.8 Ų | 90.8 | 9% | 0.087 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -66.8 | -28.5 | 176.1 | -62 | -137.4 | -155.8 | 119.1 | -103.2 | 114.9 | V374 S375 C377 F378 R381 V385 T386 T387 | V374-R383 VanDerWaalsContact C-CZ 3.45Å; V374-R383 VanDerWaalsContact CG1-NH2 3.26Å; V374-R383 PolarHBondContact O-NE 3.11Å; V374-R383 PolarHBondContact O-NH2 2.85Å; S375-R383 VanDerWaalsContact N-NH2 3.19Å; S375-R383 VanDerWaalsContact O-CZ 3.29Å; S375-R383 PolarHBondContact O-NH1 3.3Å; S375-R383 PolarHBondContact O-NH2 3.29Å; C377-R383 VanDerWaalsContact C-CD 3.45Å; C377-R383 HydrophobicContact CB-CG 3.63Å; C377-R383 WeakPolarHBondContact O-CG 3.34Å; C377-R383 PolarHBondContact O-N 3.42Å; F378-R383 HydrophobicContact CB-CB 4.29Å; F378-R383 HydrophobicContact CB-CG 3.62Å; F378-R383 VanDerWaalsContact CB-NE 3.26Å; F378-R383 HydrophobicContact CD1-CB 3.22Å; F378-R383 HydrophobicContact CD1-CG 3.24Å; F378-R383 HydrophobicContact CD2-CG 4.39Å; F378-R383 HydrophobicContact CE1-CB 3.64Å; F378-R383 HydrophobicContact CE1-CG 3.82Å; F378-R383 HydrophobicContact CG-CB 3.96Å; F378-R383 HydrophobicContact CG-CG 3.43Å; F378-R383 VanDerWaalsContact CG-CG 3.43Å; F378-R383 VanDerWaalsContact CZ-CD 3.46Å; F378-R383 HydrophobicContact CZ-CG 4.47Å; F378-R383 VanDerWaalsContact N-CD 3.25Å; R381-R383 PolarHBondContact O-N 3.41Å; R383-V385 VanDerWaalsContact C-N 3.32Å; R383-T386 WeakPolarHBondContact CA-OG1 3.43Å; R383-T386 PolarHBondContact O-N 2.89Å; R383-T386 PolarHBondContact O-OG1 3.33Å; R383-T387 VanDerWaalsContact O-CB 3.31Å; R383-T387 WeakPolarHBondContact O-CB 3.33Å; R383-T387 WeakPolarHBondContact O-CG2 3.49Å; R383-T387 PolarHBondContact O-N 3.19Å; R383-T387 PolarHBondContact O-OG1 2.91Å |
| 384 | L | 69.1 | Low | 71.4 | Confident | 123 Ų | 123 | 87.2 Ų | 87.2 | 64% | 0.644 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.6 | -45.4 | 176.4 | -170.4 | 110.2 | 0 | 0 | 0 | 109.8 | T382 T387 I388 | T382-L384 VanDerWaalsContact C-N 3.35Å; T382-L384 PolarHBondContact O-N 3.06Å; L384-T387 PolarHBondContact O-OG1 3.32Å; L384-I388 HydrophobicContact CD2-CD1 3.85Å; L384-I388 HydrophobicContact CG-CD1 3.94Å; L384-I388 WeakPolarHBondContact O-CB 3.34Å; L384-I388 WeakPolarHBondContact O-CD1 3.44Å; L384-I388 WeakPolarHBondContact O-CG1 3.35Å; L384-I388 PolarHBondContact O-N 2.9Å; L384-I388 VanDerWaalsContact O-N 3.07Å |
| 385 | V | 73.3 | Confident | 72.1 | Confident | 90 Ų | 90 | 89.5 Ų | 89.5 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 179 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | T382 R383 T389 | T382-V385 PolarHBondContact O-N 2.78Å; R383-V385 VanDerWaalsContact C-N 3.32Å; V385-T389 VanDerWaalsContact O-CB 3.31Å; V385-T389 WeakPolarHBondContact O-CB 3.47Å; V385-T389 PolarHBondContact O-N 2.8Å; V385-T389 PolarHBondContact O-OG1 3.22Å |
| 386 | T | 77.1 | Confident | 72.6 | Confident | 59 Ų | 59 | 93.7 Ų | 93.7 | 36% | 0.362 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -74.5 | -32.3 | -177.5 | 65.8 | 0 | 0 | 0 | 0 | 112.5 | T382 R383 S390 | T382-T386 VanDerWaalsContact O-CG2 3.25Å; T382-T386 WeakPolarHBondContact O-CG2 3.24Å; T382-T386 PolarHBondContact O-N 3.31Å; T382-T386 PolarHBondContact O-OG1 3.22Å; R383-T386 WeakPolarHBondContact CA-OG1 3.43Å; R383-T386 PolarHBondContact O-N 2.89Å; R383-T386 PolarHBondContact O-OG1 3.33Å; T386-S390 WeakPolarHBondContact O-CB 3.46Å; T386-S390 PolarHBondContact O-N 3.44Å |
| 387 | T | 76 | Confident | 73.5 | Confident | 62 Ų | 62 | 91.4 Ų | 91.4 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.9 | -44.9 | 172.6 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | R383 L384 T389 S390 V391 | R383-T387 VanDerWaalsContact O-CB 3.31Å; R383-T387 WeakPolarHBondContact O-CB 3.33Å; R383-T387 WeakPolarHBondContact O-CG2 3.49Å; R383-T387 PolarHBondContact O-N 3.19Å; R383-T387 PolarHBondContact O-OG1 2.91Å; L384-T387 PolarHBondContact O-OG1 3.32Å; T387-T389 VanDerWaalsContact C-N 3.33Å; T387-T389 PolarHBondContact O-N 3.23Å; T387-S390 PolarHBondContact O-N 2.93Å; T387-V391 WeakPolarHBondContact O-CB 3.36Å; T387-V391 WeakPolarHBondContact O-CG2 3.28Å; T387-V391 PolarHBondContact O-N 2.92Å |
| 388 | I | 79.9 | Confident | 74.5 | Confident | 93 Ų | 93 | 96.3 Ų | 96.3 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 175.4 | -67.5 | 167.2 | 0 | 0 | 0 | 109.9 | L384 S390 V391 V392 | L384-I388 HydrophobicContact CD2-CD1 3.85Å; L384-I388 HydrophobicContact CG-CD1 3.94Å; L384-I388 WeakPolarHBondContact O-CB 3.34Å; L384-I388 WeakPolarHBondContact O-CD1 3.44Å; L384-I388 WeakPolarHBondContact O-CG1 3.35Å; L384-I388 PolarHBondContact O-N 2.9Å; L384-I388 VanDerWaalsContact O-N 3.07Å; I388-S390 PolarHBondContact O-N 2.96Å; I388-V391 PolarHBondContact O-N 2.8Å; I388-V392 HydrophobicContact CG2-CG2 4.35Å; I388-V392 WeakPolarHBondContact O-CB 3.23Å; I388-V392 VanDerWaalsContact O-CG2 3.24Å; I388-V392 WeakPolarHBondContact O-CG2 3.47Å; I388-V392 PolarHBondContact O-N 3.4Å |
| 389 | T | 80.2 | Confident | 75.7 | Confident | 76 Ų | 76 | 98.4 Ų | 98.4 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 179 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | V385 T387 V391 V392 V393 | V385-T389 VanDerWaalsContact O-CB 3.31Å; V385-T389 WeakPolarHBondContact O-CB 3.47Å; V385-T389 PolarHBondContact O-N 2.8Å; V385-T389 PolarHBondContact O-OG1 3.22Å; T387-T389 VanDerWaalsContact C-N 3.33Å; T387-T389 PolarHBondContact O-N 3.23Å; T389-V391 PolarHBondContact O-N 2.95Å; T389-V392 PolarHBondContact O-N 3.28Å; T389-V393 HydrophobicContact CG2-CG2 4.39Å; T389-V393 WeakPolarHBondContact O-CB 3.48Å; T389-V393 WeakPolarHBondContact O-CG2 3.4Å; T389-V393 PolarHBondContact O-N 3.47Å |
| 390 | S | 78.9 | Confident | 76.8 | Confident | 81 Ų | 81 | 90.6 Ų | 90.6 | 57% | 0.566 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.6 | -38.9 | 178.1 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | T386 T387 I388 G394 | T386-S390 WeakPolarHBondContact O-CB 3.46Å; T386-S390 PolarHBondContact O-N 3.44Å; T387-S390 PolarHBondContact O-N 2.93Å; I388-S390 PolarHBondContact O-N 2.96Å; S390-G394 PolarHBondContact O-N 3.44Å |
| 391 | V | 84.3 | Confident | 77.4 | Confident | 87 Ų | 87 | 92 Ų | 92 | 53% | 0.527 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 177.4 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | T387 I388 T389 V393 G394 I395 | T387-V391 WeakPolarHBondContact O-CB 3.36Å; T387-V391 WeakPolarHBondContact O-CG2 3.28Å; T387-V391 PolarHBondContact O-N 2.92Å; I388-V391 PolarHBondContact O-N 2.8Å; T389-V391 PolarHBondContact O-N 2.95Å; V391-V393 PolarHBondContact O-N 2.95Å; V391-G394 PolarHBondContact O-N 3.3Å; V391-I395 HydrophobicContact CG1-CD1 3.76Å; V391-I395 HydrophobicContact CG1-CG1 4.43Å; V391-I395 WeakPolarHBondContact O-CB 3.49Å; V391-I395 VanDerWaalsContact O-CG1 3.27Å; V391-I395 WeakPolarHBondContact O-CG1 3.45Å; V391-I395 PolarHBondContact O-N 2.9Å |
| 392 | V | 84.4 | Confident | 78 | Confident | 88 Ų | 88 | 90 Ų | 90 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 111 | I388 T389 I395 F396 | I388-V392 HydrophobicContact CG2-CG2 4.35Å; I388-V392 WeakPolarHBondContact O-CB 3.23Å; I388-V392 VanDerWaalsContact O-CG2 3.24Å; I388-V392 WeakPolarHBondContact O-CG2 3.47Å; I388-V392 PolarHBondContact O-N 3.4Å; T389-V392 PolarHBondContact O-N 3.28Å; V392-I395 PolarHBondContact O-N 3.09Å; V392-F396 VanDerWaalsContact O-CB 3.29Å; V392-F396 WeakPolarHBondContact O-CB 3.17Å; V392-F396 PolarHBondContact O-N 3.29Å |
| 393 | V | 84.2 | Confident | 78.6 | Confident | 81 Ų | 81 | 89 Ų | 89 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | T389 V391 I395 F396 V397 | T389-V393 HydrophobicContact CG2-CG2 4.39Å; T389-V393 WeakPolarHBondContact O-CB 3.48Å; T389-V393 WeakPolarHBondContact O-CG2 3.4Å; T389-V393 PolarHBondContact O-N 3.47Å; V391-V393 PolarHBondContact O-N 2.95Å; V393-I395 PolarHBondContact O-N 2.97Å; V393-F396 PolarHBondContact O-N 2.79Å; V393-V397 HydrophobicContact CG1-CG2 4.2Å; V393-V397 WeakPolarHBondContact O-CB 3.47Å; V393-V397 VanDerWaalsContact O-CG2 3.24Å; V393-V397 WeakPolarHBondContact O-CG2 3.32Å; V393-V397 PolarHBondContact O-N 2.8Å |
| 394 | G | 84.1 | Confident | 78.9 | Confident | 33 Ų | 33 | 91.8 Ų | 91.8 | 34% | 0.34 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | S390 V391 F396 V397 L398 | S390-G394 PolarHBondContact O-N 3.44Å; V391-G394 PolarHBondContact O-N 3.3Å; G394-F396 VanDerWaalsContact C-N 3.35Å; G394-F396 PolarHBondContact O-N 3.45Å; G394-V397 PolarHBondContact O-N 2.93Å; G394-L398 WeakPolarHBondContact O-CB 3.45Å; G394-L398 VanDerWaalsContact O-CG 3.27Å; G394-L398 WeakPolarHBondContact O-CG 3.22Å; G394-L398 PolarHBondContact O-N 3.48Å |
| 395 | I | 84.4 | Confident | 79.2 | Confident | 98 Ų | 98 | 89.8 Ų | 89.8 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 176 | -67.7 | 167.1 | 0 | 0 | 0 | 110.9 | V391 V392 V393 L398 K399 | V391-I395 HydrophobicContact CG1-CD1 3.76Å; V391-I395 HydrophobicContact CG1-CG1 4.43Å; V391-I395 WeakPolarHBondContact O-CB 3.49Å; V391-I395 VanDerWaalsContact O-CG1 3.27Å; V391-I395 WeakPolarHBondContact O-CG1 3.45Å; V391-I395 PolarHBondContact O-N 2.9Å; V392-I395 PolarHBondContact O-N 3.09Å; V393-I395 PolarHBondContact O-N 2.97Å; I395-L398 PolarHBondContact O-N 3.32Å; I395-K399 WeakPolarHBondContact O-CB 3.48Å; I395-K399 PolarHBondContact O-N 2.89Å |
| 396 | F | 81.8 | Confident | 79.2 | Confident | 137 Ų | 137 | 87.3 Ų | 87.3 | 60% | 0.601 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.1 | -40.4 | 178.6 | -171.5 | -97.8 | 0 | 0 | 0 | 112.1 | V392 V393 G394 N400 | V392-F396 VanDerWaalsContact O-CB 3.29Å; V392-F396 WeakPolarHBondContact O-CB 3.17Å; V392-F396 PolarHBondContact O-N 3.29Å; V393-F396 PolarHBondContact O-N 2.79Å; G394-F396 VanDerWaalsContact C-N 3.35Å; G394-F396 PolarHBondContact O-N 3.45Å; F396-N400 WeakPolarHBondContact CD1-ND2 3.38Å; F396-N400 WeakPolarHBondContact CE1-ND2 3.45Å; F396-N400 WeakPolarHBondContact CE2-ND2 3.4Å; F396-N400 WeakPolarHBondContact CZ-ND2 3.47Å; F396-N400 VanDerWaalsContact O-CB 3.29Å; F396-N400 WeakPolarHBondContact O-CB 3.26Å; F396-N400 PolarHBondContact O-N 2.95Å; F396-N400 PolarHBondContact O-ND2 3.03Å |
| 397 | V | 82 | Confident | 79 | Confident | 47 Ų | 47 | 92.2 Ų | 92.2 | 29% | 0.285 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 175.2 | 170 | 0 | 0 | 0 | 0 | 110.8 | V393 G394 N400 W401 L404 | V393-V397 HydrophobicContact CG1-CG2 4.2Å; V393-V397 WeakPolarHBondContact O-CB 3.47Å; V393-V397 VanDerWaalsContact O-CG2 3.24Å; V393-V397 WeakPolarHBondContact O-CG2 3.32Å; V393-V397 PolarHBondContact O-N 2.8Å; G394-V397 PolarHBondContact O-N 2.93Å; V397-N400 CarbonylContact O-C 3.49Å; V397-N400 PolarHBondContact O-N 3.3Å; V397-W401 HydrophobicContact CG1-CE3 3.68Å; V397-W401 HydrophobicContact CG1-CZ3 3.84Å; V397-W401 VanDerWaalsContact O-CA 3.28Å; V397-W401 WeakPolarHBondContact O-CA 3.43Å; V397-W401 WeakPolarHBondContact O-CB 3.32Å; V397-W401 PolarHBondContact O-N 3.12Å; V397-L404 HydrophobicContact CG1-CD1 4.46Å |
| 398 | L | 80.2 | Confident | 78.9 | Confident | 136 Ų | 136 | 92 Ų | 92 | 71% | 0.712 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.7 | -42.8 | 176.2 | -72.3 | 171.1 | 0 | 0 | 0 | 112.1 | G394 I395 W401 | G394-L398 WeakPolarHBondContact O-CB 3.45Å; G394-L398 VanDerWaalsContact O-CG 3.27Å; G394-L398 WeakPolarHBondContact O-CG 3.22Å; G394-L398 PolarHBondContact O-N 3.48Å; I395-L398 PolarHBondContact O-N 3.32Å; L398-W401 PolarHBondContact O-N 2.86Å |
| 399 | K | 81.9 | Confident | 78.8 | Confident | 171 Ų | 171 | 94.5 Ų | 94.5 | 74% | 0.743 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.6 | -36.8 | 176 | -90.8 | -167.5 | 72.5 | 158 | 0 | 113 | I395 | I395-K399 WeakPolarHBondContact O-CB 3.48Å; I395-K399 PolarHBondContact O-N 2.89Å |
| 400 | N | 79.5 | Confident | 78.5 | Confident | 55 Ų | 55 | 95.6 Ų | 95.6 | 29% | 0.294 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 12.1 | -178.6 | -67.7 | -42.3 | 0 | 0 | 0 | 112.6 | F396 V397 D402 A403 L404 | F396-N400 WeakPolarHBondContact CD1-ND2 3.38Å; F396-N400 WeakPolarHBondContact CE1-ND2 3.45Å; F396-N400 WeakPolarHBondContact CE2-ND2 3.4Å; F396-N400 WeakPolarHBondContact CZ-ND2 3.47Å; F396-N400 VanDerWaalsContact O-CB 3.29Å; F396-N400 WeakPolarHBondContact O-CB 3.26Å; F396-N400 PolarHBondContact O-N 2.95Å; F396-N400 PolarHBondContact O-ND2 3.03Å; V397-N400 CarbonylContact O-C 3.49Å; V397-N400 PolarHBondContact O-N 3.3Å; N400-D402 PolarHBondContact O-N 2.89Å; N400-A403 CarbonylContact O-C 3.55Å; N400-A403 PolarHBondContact O-N 3.44Å; N400-L404 HydrophobicContact CB-CD1 4.2Å; N400-L404 WeakPolarHBondContact O-CB 3.28Å; N400-L404 PolarHBondContact O-N 2.69Å |
| 401 | W | 73.8 | Confident | 78.4 | Confident | 135 Ų | 135 | 100.6 Ų | 100.6 | 51% | 0.511 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.8 | -41.6 | -174.7 | -170 | -102.9 | 0 | 0 | 0 | 111.4 | V397 L398 A403 L404 Q405 | V397-W401 HydrophobicContact CG1-CE3 3.68Å; V397-W401 HydrophobicContact CG1-CZ3 3.84Å; V397-W401 VanDerWaalsContact O-CA 3.28Å; V397-W401 WeakPolarHBondContact O-CA 3.43Å; V397-W401 WeakPolarHBondContact O-CB 3.32Å; V397-W401 PolarHBondContact O-N 3.12Å; L398-W401 PolarHBondContact O-N 2.86Å; W401-A403 PolarHBondContact O-N 2.86Å; W401-L404 PolarHBondContact O-N 3.15Å; W401-Q405 WeakPolarHBondContact O-CB 3.27Å; W401-Q405 WeakPolarHBondContact O-CG 3.31Å; W401-Q405 PolarHBondContact O-N 3.49Å |
| 402 | D | 78.2 | Confident | 78.1 | Confident | 138 Ų | 138 | 102.7 Ų | 102.7 | 74% | 0.738 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -40.8 | 176.6 | -59.9 | -32.2 | 0 | 0 | 0 | 112.1 | N400 G406 | N400-D402 PolarHBondContact O-N 2.89Å; D402-G406 PolarHBondContact O-N 3.31Å |
| 403 | A | 75.2 | Confident | 77.8 | Confident | 55 Ų | 55 | 103.5 Ų | 103.5 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.7 | -33.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N400 W401 G406 K407 | N400-A403 CarbonylContact O-C 3.55Å; N400-A403 PolarHBondContact O-N 3.44Å; W401-A403 PolarHBondContact O-N 2.86Å; A403-G406 PolarHBondContact O-N 3.35Å; A403-K407 WeakPolarHBondContact O-CB 3.36Å; A403-K407 WeakPolarHBondContact O-CG 3.4Å; A403-K407 PolarHBondContact O-N 3.17Å |
| 404 | L | 69.7 | Low | 77.3 | Confident | 82 Ų | 82 | 104.1 Ų | 104.1 | 43% | 0.429 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.2 | -43.9 | 175.9 | -96.9 | 149.3 | 0 | 0 | 0 | 110.9 | V397 N400 W401 G406 K407 A408 | V397-L404 HydrophobicContact CG1-CD1 4.46Å; N400-L404 HydrophobicContact CB-CD1 4.2Å; N400-L404 WeakPolarHBondContact O-CB 3.28Å; N400-L404 PolarHBondContact O-N 2.69Å; W401-L404 PolarHBondContact O-N 3.15Å; L404-G406 VanDerWaalsContact C-N 3.33Å; L404-K407 PolarHBondContact O-N 3.37Å; L404-A408 WeakPolarHBondContact O-CB 3.49Å; L404-A408 PolarHBondContact O-N 2.87Å |
| 405 | Q | 74.7 | Confident | 76.6 | Confident | 82 Ų | 82 | 104.4 Ų | 104.4 | 38% | 0.383 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56 | -51.5 | 170 | -72.2 | -103.7 | -38.2 | 0 | 0 | 109.2 | W401 K407 A408 Y409 | W401-Q405 WeakPolarHBondContact O-CB 3.27Å; W401-Q405 WeakPolarHBondContact O-CG 3.31Å; W401-Q405 PolarHBondContact O-N 3.49Å; Q405-K407 PolarHBondContact O-N 2.86Å; Q405-A408 PolarHBondContact O-N 3.34Å; Q405-Y409 HydrophobicContact CB-CD2 4.46Å; Q405-Y409 HydrophobicContact CB-CE2 4.5Å; Q405-Y409 WeakPolarHBondContact O-CB 3.22Å; Q405-Y409 WeakPolarHBondContact O-CD2 3.43Å; Q405-Y409 PolarHBondContact O-N 2.92Å |
| 406 | G | 73.8 | Confident | 76 | Confident | 37 Ų | 37 | 102.1 Ų | 102.1 | 38% | 0.381 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -55.9 | -48.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D402 A403 L404 Y409 V410 | D402-G406 PolarHBondContact O-N 3.31Å; A403-G406 PolarHBondContact O-N 3.35Å; L404-G406 VanDerWaalsContact C-N 3.33Å; G406-Y409 PolarHBondContact O-N 2.81Å; G406-V410 VanDerWaalsContact O-CG2 3.31Å; G406-V410 WeakPolarHBondContact O-CG2 3.5Å; G406-V410 PolarHBondContact O-N 3.29Å |
| 407 | K | 72.1 | Confident | 75.1 | Confident | 163 Ų | 163 | 101.3 Ų | 101.3 | 71% | 0.709 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.9 | -37.2 | 177.4 | -77.6 | -175.2 | 177.1 | -179.2 | 0 | 113 | A403 L404 Q405 V410 W411 | A403-K407 WeakPolarHBondContact O-CB 3.36Å; A403-K407 WeakPolarHBondContact O-CG 3.4Å; A403-K407 PolarHBondContact O-N 3.17Å; L404-K407 PolarHBondContact O-N 3.37Å; Q405-K407 PolarHBondContact O-N 2.86Å; K407-V410 PolarHBondContact O-N 2.83Å; K407-W411 VanDerWaalsContact O-CB 3.28Å; K407-W411 WeakPolarHBondContact O-CB 3.19Å; K407-W411 PolarHBondContact O-N 3.39Å |
| 408 | A | 75 | Confident | 74.2 | Confident | 56 Ų | 56 | 105.2 Ų | 105.2 | 46% | 0.463 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | L404 Q405 W411 F412 | L404-A408 WeakPolarHBondContact O-CB 3.49Å; L404-A408 PolarHBondContact O-N 2.87Å; Q405-A408 PolarHBondContact O-N 3.34Å; A408-W411 PolarHBondContact O-N 2.94Å; A408-F412 VanDerWaalsContact O-CB 3.23Å; A408-F412 WeakPolarHBondContact O-CB 3.47Å; A408-F412 PolarHBondContact O-N 3.18Å |
| 409 | Y | 76.1 | Confident | 73.2 | Confident | 146 Ų | 146 | 101.9 Ų | 101.9 | 57% | 0.573 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.4 | -45.6 | 173.1 | -83.7 | -69.2 | 0 | 0 | 0 | 111.7 | Q405 G406 F412 L413 | Q405-Y409 HydrophobicContact CB-CD2 4.46Å; Q405-Y409 HydrophobicContact CB-CE2 4.5Å; Q405-Y409 WeakPolarHBondContact O-CB 3.22Å; Q405-Y409 WeakPolarHBondContact O-CD2 3.43Å; Q405-Y409 PolarHBondContact O-N 2.92Å; G406-Y409 PolarHBondContact O-N 2.81Å; Y409-F412 PolarHBondContact O-N 3.46Å; Y409-L413 WeakPolarHBondContact O-CB 3.25Å; Y409-L413 WeakPolarHBondContact O-CD1 3.4Å; Y409-L413 WeakPolarHBondContact O-CG 3.38Å; Y409-L413 PolarHBondContact O-N 2.98Å |
| 410 | V | 74.8 | Confident | 72.1 | Confident | 99 Ų | 99 | 96.6 Ų | 96.6 | 60% | 0.6 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -41.6 | 177.1 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | G406 K407 L413 N414 | G406-V410 VanDerWaalsContact O-CG2 3.31Å; G406-V410 WeakPolarHBondContact O-CG2 3.5Å; G406-V410 PolarHBondContact O-N 3.29Å; K407-V410 PolarHBondContact O-N 2.83Å; V410-L413 PolarHBondContact O-N 3.48Å; V410-N414 WeakPolarHBondContact O-CB 3.17Å; V410-N414 PolarHBondContact O-N 2.97Å |
| 411 | W | 76.4 | Confident | 71.1 | Confident | 186 Ų | 186 | 95.5 Ų | 95.5 | 71% | 0.705 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.6 | -43.4 | 177.2 | -174.6 | 79 | 0 | 0 | 0 | 111.7 | K407 A408 L413 N414 S415 | K407-W411 VanDerWaalsContact O-CB 3.28Å; K407-W411 WeakPolarHBondContact O-CB 3.19Å; K407-W411 PolarHBondContact O-N 3.39Å; A408-W411 PolarHBondContact O-N 2.94Å; W411-L413 VanDerWaalsContact C-N 3.35Å; W411-L413 PolarHBondContact O-N 2.9Å; W411-N414 PolarHBondContact O-N 3.31Å; W411-S415 PolarHBondContact O-N 3.39Å; W411-S415 PolarHBondContact O-OG 2.86Å; W411-S415 VanDerWaalsContact O-OG 3.09Å |
| 412 | F | 78.8 | Confident | 70.2 | Confident | 131 Ų | 131 | 95.8 Ų | 95.8 | 58% | 0.575 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -40.9 | 176.9 | -172.3 | -97.4 | 0 | 0 | 0 | 112 | A408 Y409 S415 S416 | A408-F412 VanDerWaalsContact O-CB 3.23Å; A408-F412 WeakPolarHBondContact O-CB 3.47Å; A408-F412 PolarHBondContact O-N 3.18Å; Y409-F412 PolarHBondContact O-N 3.46Å; F412-S415 WeakPolarHBondContact CA-OG 3.48Å; F412-S415 PolarHBondContact O-OG 3.38Å; F412-S416 WeakPolarHBondContact O-CB 3.27Å; F412-S416 PolarHBondContact O-N 2.76Å; F412-S416 PolarHBondContact O-OG 3.33Å |
| 413 | L | 77.2 | Confident | 69.1 | Low | 106 Ų | 106 | 95.1 Ų | 95.1 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.3 | -44 | 173 | -76.3 | 163 | 0 | 0 | 0 | 111.3 | Y409 V410 W411 S415 S416 I417 | Y409-L413 WeakPolarHBondContact O-CB 3.25Å; Y409-L413 WeakPolarHBondContact O-CD1 3.4Å; Y409-L413 WeakPolarHBondContact O-CG 3.38Å; Y409-L413 PolarHBondContact O-N 2.98Å; V410-L413 PolarHBondContact O-N 3.48Å; W411-L413 VanDerWaalsContact C-N 3.35Å; W411-L413 PolarHBondContact O-N 2.9Å; L413-S415 PolarHBondContact O-N 3.45Å; L413-S416 WeakPolarHBondContact O-CB 3.46Å; L413-S416 PolarHBondContact O-N 3.27Å; L413-I417 WeakPolarHBondContact O-CG1 3.37Å; L413-I417 PolarHBondContact O-N 2.86Å |
| 414 | N | 75.1 | Confident | 68.2 | Low | 93 Ų | 93 | 96.1 Ų | 96.1 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 178.7 | -168.2 | 66.2 | 0 | 0 | 0 | 112.2 | V410 W411 S416 I417 Q418 | V410-N414 WeakPolarHBondContact O-CB 3.17Å; V410-N414 PolarHBondContact O-N 2.97Å; W411-N414 PolarHBondContact O-N 3.31Å; N414-S416 VanDerWaalsContact C-N 3.33Å; N414-S416 PolarHBondContact O-N 3.39Å; N414-I417 PolarHBondContact O-N 3.33Å; N414-Q418 WeakPolarHBondContact O-CB 3.47Å; N414-Q418 PolarHBondContact O-N 3.14Å |
| 415 | S | 69.4 | Low | 67.4 | Low | 40 Ų | 40 | 97 Ų | 97 | 28% | 0.28 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.6 | -34.5 | 173.8 | 54 | 0 | 0 | 0 | 0 | 112.6 | W411 F412 L413 Q418 S419 | W411-S415 PolarHBondContact O-N 3.39Å; W411-S415 PolarHBondContact O-OG 2.86Å; W411-S415 VanDerWaalsContact O-OG 3.09Å; F412-S415 WeakPolarHBondContact CA-OG 3.48Å; F412-S415 PolarHBondContact O-OG 3.38Å; L413-S415 PolarHBondContact O-N 3.45Å; S415-Q418 PolarHBondContact O-N 3.46Å; S415-S419 PolarHBondContact O-N 3.49Å |
| 416 | S | 70.5 | Confident | 66.1 | Low | 50 Ų | 50 | 101.9 Ų | 101.9 | 35% | 0.35 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.4 | -39 | 175.5 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | F412 L413 N414 S419 A420 | F412-S416 WeakPolarHBondContact O-CB 3.27Å; F412-S416 PolarHBondContact O-N 2.76Å; F412-S416 PolarHBondContact O-OG 3.33Å; L413-S416 WeakPolarHBondContact O-CB 3.46Å; L413-S416 PolarHBondContact O-N 3.27Å; N414-S416 VanDerWaalsContact C-N 3.33Å; N414-S416 PolarHBondContact O-N 3.39Å; S416-S419 PolarHBondContact O-OG 2.99Å; S416-A420 WeakPolarHBondContact O-CB 3.5Å; S416-A420 PolarHBondContact O-N 3.41Å |
| 417 | I | 63.8 | Low | 64.7 | Low | 119 Ų | 119 | 108.5 Ų | 108.5 | 61% | 0.61 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.4 | -39.3 | 174.7 | -68.7 | 172.3 | 0 | 0 | 0 | 110.5 | L413 N414 A420 G421 | L413-I417 WeakPolarHBondContact O-CG1 3.37Å; L413-I417 PolarHBondContact O-N 2.86Å; N414-I417 PolarHBondContact O-N 3.33Å; I417-A420 PolarHBondContact O-N 3.29Å; I417-G421 PolarHBondContact O-N 3.01Å |
| 418 | Q | 62.1 | Low | 64.3 | Low | 129 Ų | 129 | 105.8 Ų | 105.8 | 60% | 0.603 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.9 | -39.6 | 179.6 | -161.9 | 160.7 | 13 | 0 | 0 | 112.3 | N414 S415 A420 G421 E422 | N414-Q418 WeakPolarHBondContact O-CB 3.47Å; N414-Q418 PolarHBondContact O-N 3.14Å; S415-Q418 PolarHBondContact O-N 3.46Å; Q418-A420 VanDerWaalsContact C-N 3.34Å; Q418-G421 PolarHBondContact O-N 3.09Å; Q418-E422 PolarHBondContact O-N 3.46Å; Q418-E422 VanDerWaalsContact O-N 3.1Å |
| 419 | S | 58.8 | Low | 63.7 | Low | 66 Ų | 66 | 108.4 Ų | 108.4 | 46% | 0.462 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70 | -31.1 | 173.8 | 88.4 | 0 | 0 | 0 | 0 | 112.8 | S415 S416 N423 | S415-S419 PolarHBondContact O-N 3.49Å; S416-S419 PolarHBondContact O-OG 2.99Å; S419-N423 PolarHBondContact O-N 3.35Å |
| 420 | A | 59.1 | Low | 63.1 | Low | 60 Ų | 60 | 106.3 Ų | 106.3 | 50% | 0.496 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.7 | -35.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | S416 I417 Q418 N423 S424 | S416-A420 WeakPolarHBondContact O-CB 3.5Å; S416-A420 PolarHBondContact O-N 3.41Å; I417-A420 PolarHBondContact O-N 3.29Å; Q418-A420 VanDerWaalsContact C-N 3.34Å; A420-N423 PolarHBondContact O-N 3.03Å; A420-S424 PolarHBondContact O-N 2.74Å |
| 421 | G | 58.4 | Low | 62.4 | Low | 32 Ų | 32 | 106.8 Ų | 106.8 | 33% | 0.33 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.3 | -32.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I417 Q418 S424 S425 | I417-G421 PolarHBondContact O-N 3.01Å; Q418-G421 PolarHBondContact O-N 3.09Å; G421-S424 PolarHBondContact O-OG 2.94Å; G421-S425 PolarHBondContact O-OG 3.19Å |
| 422 | E | 55.1 | Low | 61.5 | Low | 141 Ų | 141 | 101.8 Ų | 101.8 | 66% | 0.659 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.1 | -34.8 | 172.7 | -80.4 | -179.6 | 149 | 0 | 0 | 111.9 | Q418 S424 S425 | Q418-E422 PolarHBondContact O-N 3.46Å; Q418-E422 VanDerWaalsContact O-N 3.1Å; E422-S424 PolarHBondContact O-N 2.9Å; E422-S425 PolarHBondContact O-N 3.24Å |
| 423 | N | 55.7 | Low | 60.3 | Low | 125 Ų | 125 | 99.9 Ų | 99.9 | 67% | 0.668 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -72.5 | -26.6 | 177.5 | -74.7 | -14.6 | 0 | 0 | 0 | 113.9 | S419 A420 S425 | S419-N423 PolarHBondContact O-N 3.35Å; A420-N423 PolarHBondContact O-N 3.03Å; N423-S425 VanDerWaalsContact C-N 3.29Å |
| 424 | S | 55.9 | Low | 59.1 | Low | 76 Ų | 76 | 99.4 Ų | 99.4 | 53% | 0.531 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.3 | -6.9 | 173.8 | 60.3 | 0 | 0 | 0 | 0 | 114 | A420 G421 E422 | A420-S424 PolarHBondContact O-N 2.74Å; G421-S424 PolarHBondContact O-OG 2.94Å; E422-S424 PolarHBondContact O-N 2.9Å |
| 425 | S | 53.6 | Low | 57.9 | Low | 99 Ų | 99 | 99.9 Ų | 99.9 | 69% | 0.692 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -0.3 | 177.8 | -54.4 | 0 | 0 | 0 | 0 | 113.4 | G421 E422 N423 | G421-S425 PolarHBondContact O-OG 3.19Å; E422-S425 PolarHBondContact O-N 3.24Å; N423-S425 VanDerWaalsContact C-N 3.29Å |
| 426 | Q | 46.4 | Very low | 57 | Low | 186 Ų | 186 | 104.9 Ų | 104.9 | 87% | 0.869 | 61% | 0.613 | S | S | * | * | trans | -113.2 | 12.6 | 175.7 | -86.1 | -168.8 | 9.5 | 0 | 0 | 114.7 | ||||
| 427 | T | 44.1 | Very low | 55.7 | Low | 176 Ų | 176 | 109.9 Ų | 109.9 | 100% | 1.08 | 64% | 0.636 | S | S | * | * | trans | -114.8 | 0 | 164.7 | 51.4 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 427 of 427 residues in 149.7 ms
(Link to these results)