| 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 | 41 | Very low | 38.9 | Very low | 199 Ų | 199 | 107.3 Ų | 107.3 | 98% | 0.98 | 55% | 0.546 | S | S | * | . | 0 | -51.9 | 0 | -68.1 | -166.9 | 97.6 | 0 | 0 | 112 | K3 L4 S5 | M1-K3 PolarHBondContact O-N 3.24Å; M1-K3 VanDerWaalsContact O-N 3.14Å; M1-L4 PolarHBondContact O-N 3.1Å; M1-L4 VanDerWaalsContact O-N 3.1Å; M1-S5 PolarHBondContact O-N 2.94Å; M1-S5 PolarHBondContact O-OG 2.96Å | |||
| 2 | L | 33.5 | Very low | 39 | Very low | 161 Ų | 161 | 103 Ų | 103 | 84% | 0.843 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -56.4 | -31.6 | 179.2 | -136.1 | 76.6 | 0 | 0 | 0 | 115.2 | F6 | L2-F6 PolarHBondContact O-N 3.42Å |
| 3 | K | 36 | Very low | 38.9 | Very low | 192 Ų | 192 | 102.8 Ų | 102.8 | 84% | 0.835 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -76.1 | -26.4 | 179.3 | -66.4 | -177 | 171.8 | -178.4 | 0 | 114.2 | M1 | M1-K3 PolarHBondContact O-N 3.24Å; M1-K3 VanDerWaalsContact O-N 3.14Å |
| 4 | L | 37.9 | Very low | 38.9 | Very low | 58 Ų | 58 | 102.9 Ų | 102.9 | 30% | 0.304 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -82.2 | -34 | 177.5 | -161.6 | 71.4 | 0 | 0 | 0 | 110.7 | M1 F6 L7 L8 | M1-L4 PolarHBondContact O-N 3.1Å; M1-L4 VanDerWaalsContact O-N 3.1Å; L4-F6 VanDerWaalsContact C-N 3.27Å; L4-F6 PolarHBondContact O-N 3.38Å; L4-L7 PolarHBondContact O-N 2.91Å; L4-L8 PolarHBondContact O-N 3.21Å |
| 5 | S | 38.9 | Very low | 39 | Very low | 62 Ų | 62 | 103.4 Ų | 103.4 | 43% | 0.434 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.5 | -34.2 | 172.1 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | M1 L9 | M1-S5 PolarHBondContact O-N 2.94Å; M1-S5 PolarHBondContact O-OG 2.96Å; S5-L9 VanDerWaalsContact O-CB 3.27Å; S5-L9 WeakPolarHBondContact O-CB 3.43Å; S5-L9 WeakPolarHBondContact O-CD1 3.29Å; S5-L9 PolarHBondContact O-N 2.86Å |
| 6 | F | 39.7 | Very low | 38.8 | Very low | 147 Ų | 147 | 107.4 Ų | 107.4 | 65% | 0.645 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71.1 | -33.7 | 178.9 | -149.2 | -95.5 | 0 | 0 | 0 | 112.8 | L2 L4 L10 | L2-F6 PolarHBondContact O-N 3.42Å; L4-F6 VanDerWaalsContact C-N 3.27Å; L4-F6 PolarHBondContact O-N 3.38Å; F6-L10 HydrophobicContact CD1-CD1 4.13Å; F6-L10 HydrophobicContact CE1-CD1 4.24Å; F6-L10 PolarHBondContact O-N 3.43Å; F6-L10 VanDerWaalsContact O-N 3.15Å |
| 7 | L | 39.3 | Very low | 38.6 | Very low | 45 Ų | 45 | 105.7 Ų | 105.7 | 24% | 0.236 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -71.7 | -38.3 | 177.1 | -160.4 | 74.8 | 0 | 0 | 0 | 111.7 | L4 L105 | L4-L7 PolarHBondContact O-N 2.91Å; L7-L105 HydrophobicContact CD1-CD2 3.65Å; L7-L105 HydrophobicContact CD2-CB 4.25Å; L7-L105 HydrophobicContact CD2-CD1 4.47Å; L7-L105 HydrophobicContact CD2-CD2 4.14Å; L7-L105 HydrophobicContact CG-CD2 4.35Å |
| 8 | L | 40.6 | Very low | 38.3 | Very low | 52 Ų | 52 | 108.4 Ų | 108.4 | 27% | 0.272 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.4 | -33.9 | 173.5 | -69.8 | 171.6 | 0 | 0 | 0 | 112.8 | L4 L10 C11 C12 F373 | L4-L8 PolarHBondContact O-N 3.21Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-C11 PolarHBondContact O-N 3.36Å; L8-C12 PolarHBondContact O-N 3.49Å; L8-C12 PolarHBondContact O-SG 3.47Å; L8-C12 VanDerWaalsContact O-SG 3.35Å; L8-F373 HydrophobicContact CB-CZ 4.12Å; L8-F373 HydrophobicContact CD1-CD1 4.47Å; L8-F373 HydrophobicContact CD1-CE1 3.59Å; L8-F373 HydrophobicContact CD1-CZ 3.95Å; L8-F373 HydrophobicContact CD2-CE1 3.45Å; L8-F373 VanDerWaalsContact CD2-CE1 3.45Å; L8-F373 HydrophobicContact CD2-CZ 3.71Å; L8-F373 HydrophobicContact CG-CE1 4.01Å; L8-F373 HydrophobicContact CG-CZ 4.12Å |
| 9 | L | 41.1 | Very low | 38.1 | Very low | 101 Ų | 101 | 108.3 Ų | 108.3 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.7 | -33.5 | 174.5 | -95.4 | 153.9 | 0 | 0 | 0 | 112.7 | S5 C11 C12 T13 | S5-L9 VanDerWaalsContact O-CB 3.27Å; S5-L9 WeakPolarHBondContact O-CB 3.43Å; S5-L9 WeakPolarHBondContact O-CD1 3.29Å; S5-L9 PolarHBondContact O-N 2.86Å; L9-C11 VanDerWaalsContact C-N 3.26Å; L9-C11 PolarHBondContact O-N 2.9Å; L9-C12 PolarHBondContact O-N 2.92Å; L9-T13 WeakPolarHBondContact O-CG2 3.4Å; L9-T13 PolarHBondContact O-N 2.82Å |
| 10 | L | 40.5 | Very low | 37.9 | Very low | 116 Ų | 116 | 112 Ų | 112 | 61% | 0.607 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.5 | -29 | 175.8 | -103.9 | 150.5 | 0 | 0 | 0 | 112.9 | F6 L8 C12 | F6-L10 HydrophobicContact CD1-CD1 4.13Å; F6-L10 HydrophobicContact CE1-CD1 4.24Å; F6-L10 PolarHBondContact O-N 3.43Å; F6-L10 VanDerWaalsContact O-N 3.15Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L10-C12 VanDerWaalsContact C-N 3.34Å |
| 11 | C | 38.8 | Very low | 37.8 | Very low | 47 Ų | 47 | 115.5 Ų | 115.5 | 32% | 0.318 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -76.1 | -20 | 171.4 | -64.4 | 0 | 0 | 0 | 0 | 113.3 | L8 L9 M377 | L8-C11 PolarHBondContact O-N 3.36Å; L9-C11 VanDerWaalsContact C-N 3.26Å; L9-C11 PolarHBondContact O-N 2.9Å; C11-M377 HydrophobicContact CB-CE 3.82Å |
| 12 | C | 40.6 | Very low | 37.6 | Very low | 56 Ų | 56 | 111.5 Ų | 111.5 | 38% | 0.378 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -100.8 | -2.6 | -173.1 | -65.7 | 0 | 0 | 0 | 0 | 114.8 | L8 L9 L10 V14 | L8-C12 PolarHBondContact O-N 3.49Å; L8-C12 PolarHBondContact O-SG 3.47Å; L8-C12 VanDerWaalsContact O-SG 3.35Å; L9-C12 PolarHBondContact O-N 2.92Å; L10-C12 VanDerWaalsContact C-N 3.34Å; C12-V14 PolarHBondContact O-N 3.18Å |
| 13 | T | 38.4 | Very low | 37.7 | Very low | 100 Ų | 100 | 109.6 Ų | 109.6 | 61% | 0.613 | 60% | 0.602 | S | S | * | * | trans | -96.6 | 61.1 | -178.8 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | L9 | L9-T13 WeakPolarHBondContact O-CG2 3.4Å; L9-T13 PolarHBondContact O-N 2.82Å | ||
| 14 | V | 38.6 | Very low | 37.8 | Very low | 104 Ų | 104 | 106 Ų | 106 | 63% | 0.63 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -113.1 | 115.8 | 156.9 | -179 | 0 | 0 | 0 | 0 | 106.5 | C12 F16 | C12-V14 PolarHBondContact O-N 3.18Å; V14-F16 PolarHBondContact O-N 3.07Å |
| 15 | P | 40.7 | Very low | 37.9 | Very low | 111 Ų | 111 | 111.7 Ų | 111.7 | 72% | 0.721 | 62% | 0.622 | S | S | * | * | trans | -69.1 | 117.8 | -175.9 | 26.2 | -31.1 | 0 | 0 | 0 | 110.4 | A17 | P15-A17 PolarHBondContact O-N 2.84Š| ||
| 16 | F | 34.6 | Very low | 38 | Very low | 167 Ų | 167 | 114.1 Ų | 114.1 | 73% | 0.732 | 64% | 0.635 | S | S | * | * | trans | -65.4 | 109.8 | 166.9 | -155.2 | -98.9 | 0 | 0 | 0 | 107.9 | V14 E18 | V14-F16 PolarHBondContact O-N 3.07Å; F16-E18 HydrophobicContact CD1-CG 4.22Å; F16-E18 HydrophobicContact CE1-CG 3.9Å | ||
| 17 | A | 36.5 | Very low | 37.9 | Very low | 79 Ų | 79 | 114.3 Ų | 114.3 | 65% | 0.653 | 64% | 0.642 | S | S | * | * | trans | -111 | 99.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108 | P15 S19 | P15-A17 PolarHBondContact O-N 2.84Å; A17-S19 PolarHBondContact O-N 2.92Å | ||
| 18 | E | 32.7 | Very low | 38.2 | Very low | 155 Ų | 155 | 119.8 Ų | 119.8 | 72% | 0.724 | 67% | 0.666 | S | S | * | * | trans | -62.3 | 123.1 | 161.8 | -87.1 | 163.4 | 139.3 | 0 | 0 | 109.3 | F16 | F16-E18 HydrophobicContact CD1-CG 4.22Å; F16-E18 HydrophobicContact CE1-CG 3.9Å | ||
| 19 | S | 35.3 | Very low | 38.1 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 69% | 0.694 | S | S | * | * | trans | -131.2 | 96.2 | 158.4 | 60.9 | 0 | 0 | 0 | 0 | 109.1 | A17 E21 | A17-S19 PolarHBondContact O-N 2.92Å; S19-E21 PolarHBondContact O-N 3.48Å | ||
| 20 | H | 32.7 | Very low | 38.8 | Very low | 182 Ų | 182 | 129.5 Ų | 129.5 | 84% | 0.843 | 71% | 0.707 | S | S | * | * | trans | -62 | 113.9 | 156.6 | -83.7 | -89.4 | 0 | 0 | 0 | 108.5 | ||||
| 21 | E | 37.1 | Very low | 38.9 | Very low | 185 Ų | 185 | 131.7 Ų | 131.7 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | trans | -129.3 | 111 | 162 | -109.6 | -177.8 | 159.2 | 0 | 0 | 110.3 | S19 | S19-E21 PolarHBondContact O-N 3.48Š| ||
| 22 | S | 37.1 | Very low | 39.2 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 124.4 | 172.3 | 48.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 23 | T | 34 | Very low | 39.5 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 131 | 169.8 | 43.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 24 | P | 39.5 | Very low | 39.9 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 125.7 | 160.8 | 26.7 | -14.8 | 0 | 0 | 0 | 110.6 | ||
| 25 | H | 38.7 | Very low | 40.1 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 127.2 | 169.7 | -72 | -86.3 | 0 | 0 | 0 | 110.3 | ||
| 26 | V | 42.2 | Very low | 40.3 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -103.8 | 114.5 | 165.7 | 178.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 27 | N | 37 | Very low | 40.6 | Very low | 151 Ų | 151 | 147.7 Ų | 147.7 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -74 | 128.9 | 167.6 | -72.8 | -28.8 | 0 | 0 | 0 | 109.1 | ||||
| 28 | H | 46.2 | Very low | 41.5 | Very low | 159 Ų | 159 | 151.7 Ų | 151.7 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -119.7 | 106.3 | 160.5 | -86.1 | -72.2 | 0 | 0 | 0 | 108.8 | ||||
| 29 | E | 38.4 | Very low | 41.7 | Very low | 182 Ų | 182 | 154.5 Ų | 154.5 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -76.2 | 133.3 | 159.3 | -75 | 170.5 | 126.3 | 0 | 0 | 108.7 | ||||
| 30 | H | 55.3 | Low | 42.5 | Very low | 175 Ų | 175 | 155.9 Ų | 155.9 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -141.3 | 130.1 | 157.3 | -83.9 | -62.5 | 0 | 0 | 0 | 110.7 | ||||
| 31 | D | 42.9 | Very low | 42.7 | Very low | 163 Ų | 163 | 154.4 Ų | 154.4 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -64.1 | 156 | -174.9 | -74.6 | -56.1 | 0 | 0 | 0 | 115.8 | ||||
| 32 | H | 45.3 | Very low | 43.1 | Very low | 170 Ų | 170 | 151.9 Ų | 151.9 | 79% | 0.787 | 79% | 0.788 | S | S | * | * | trans | -71.7 | 142.1 | 177.8 | -61.9 | -80.1 | 0 | 0 | 0 | 114.6 | ||||
| 33 | V | 45.7 | Very low | 43.2 | Very low | 147 Ų | 147 | 153.7 Ų | 153.7 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | -144.7 | 129.4 | 143.1 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 34 | H | 47.2 | Very low | 43.4 | Very low | 181 Ų | 181 | 155.4 Ų | 155.4 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -74.1 | 145.6 | -179.8 | -68.1 | -85.3 | 0 | 0 | 0 | 113.6 | ||||
| 35 | G | 43.9 | Very low | 43.1 | Very low | 66 Ų | 66 | 158.4 Ų | 158.4 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | 179.1 | 103.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 36 | F | 43.6 | Very low | 42.8 | Very low | 201 Ų | 201 | 155.8 Ų | 155.8 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | 68.3 | 122.5 | 154.6 | -74.5 | -84.9 | 0 | 0 | 0 | 121.3 | H38 | F36-H38 PolarHBondContact O-N 3.19Š| ||
| 37 | D | 42 | Very low | 42.2 | Very low | 155 Ų | 155 | 159.3 Ų | 159.3 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -59 | 121.2 | 169.8 | -61.4 | -59.9 | 0 | 0 | 0 | 112.6 | ||||
| 38 | H | 54.5 | Low | 42 | Very low | 164 Ų | 164 | 155.5 Ų | 155.5 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -137.6 | 111.7 | 153.4 | -84.2 | -68.4 | 0 | 0 | 0 | 109.2 | F36 H40 | F36-H38 PolarHBondContact O-N 3.19Å; H38-H40 PolarHBondContact O-N 3.32Å; H38-H40 VanDerWaalsContact O-N 3.13Å | ||
| 39 | F | 36.7 | Very low | 41.4 | Very low | 213 Ų | 213 | 153 Ų | 153 | 93% | 0.934 | 78% | 0.784 | S | S | * | * | trans | -58.8 | 106.9 | 166 | -114.9 | -100.1 | 0 | 0 | 0 | 108.6 | ||||
| 40 | H | 52.4 | Low | 41.6 | Very low | 135 Ų | 135 | 153.8 Ų | 153.8 | 63% | 0.625 | 78% | 0.779 | S | S | * | * | trans | -126.5 | 109.3 | 161.8 | -80 | -65.6 | 0 | 0 | 0 | 108.2 | H38 H42 | H38-H40 PolarHBondContact O-N 3.32Å; H38-H40 VanDerWaalsContact O-N 3.13Å; H40-H42 PolarHBondContact O-N 3.38Å; H40-H42 VanDerWaalsContact O-N 3.1Å | ||
| 41 | D | 38 | Very low | 40.8 | Very low | 151 Ų | 151 | 154.2 Ų | 154.2 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | -62.6 | 102.1 | 167 | -155.5 | 17.7 | 0 | 0 | 0 | 107 | ||||
| 42 | H | 45.4 | Very low | 40.8 | Very low | 132 Ų | 132 | 150.6 Ų | 150.6 | 61% | 0.611 | 76% | 0.764 | S | S | * | * | trans | -111 | 104.5 | 170.9 | -77.4 | -59.9 | 0 | 0 | 0 | 106.9 | H40 H44 | H40-H42 PolarHBondContact O-N 3.38Å; H40-H42 VanDerWaalsContact O-N 3.1Å; H42-H44 PolarHBondContact O-CD2 3.39Å; H42-H44 PolarHBondContact O-N 3.02Å | ||
| 43 | D | 37.7 | Very low | 41 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | trans | -55.8 | 91.7 | 160.1 | -74.7 | -42.5 | 0 | 0 | 0 | 108 | E45 | D43-E45 PolarHBondContact O-N 3.49Å; D43-E45 VanDerWaalsContact O-N 3.11Å | ||
| 44 | H | 38.6 | Very low | 41 | Very low | 157 Ų | 157 | 142 Ų | 142 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | -72.6 | 96.3 | 164.1 | -75 | -75.3 | 0 | 0 | 0 | 106.7 | H42 V46 | H42-H44 PolarHBondContact O-CD2 3.39Å; H42-H44 PolarHBondContact O-N 3.02Å; H44-V46 HydrophobicContact CB-CG2 4.04Å; H44-V46 PolarHBondContact O-N 3.34Å | ||
| 45 | E | 33.7 | Very low | 40.7 | Very low | 181 Ų | 181 | 139 Ų | 139 | 85% | 0.846 | 71% | 0.706 | S | S | * | * | trans | -59.8 | 89.5 | 148.1 | -81.4 | -164.8 | 163 | 0 | 0 | 106.6 | D43 F47 | D43-E45 PolarHBondContact O-N 3.49Å; D43-E45 VanDerWaalsContact O-N 3.11Å; E45-F47 PolarHBondContact O-N 2.9Å | ||
| 46 | V | 32.1 | Very low | 40.9 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | -68 | 83 | 164.5 | -178.7 | 0 | 0 | 0 | 0 | 105.5 | H44 A48 | H44-V46 HydrophobicContact CB-CG2 4.04Å; H44-V46 PolarHBondContact O-N 3.34Å; V46-A48 HydrophobicContact CG1-CB 4.2Å; V46-A48 PolarHBondContact O-N 3.46Å | ||
| 47 | F | 30.2 | Very low | 41.4 | Very low | 189 Ų | 189 | 134.7 Ų | 134.7 | 83% | 0.829 | 68% | 0.676 | S | S | * | * | trans | -67.7 | 79.4 | 155 | -144.8 | -86.5 | 0 | 0 | 0 | 105.2 | E45 S49 | E45-F47 PolarHBondContact O-N 2.9Å; F47-S49 PolarHBondContact O-N 3.33Å | ||
| 48 | A | 32.4 | Very low | 41.8 | Very low | 70 Ų | 70 | 133.4 Ų | 133.4 | 58% | 0.579 | 66% | 0.661 | S | S | * | * | trans | -52.2 | 113.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | V46 R50 | V46-A48 HydrophobicContact CG1-CB 4.2Å; V46-A48 PolarHBondContact O-N 3.46Å; A48-R50 PolarHBondContact O-N 2.95Å | ||
| 49 | S | 34.4 | Very low | 41.6 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 76% | 0.755 | 63% | 0.629 | S | S | * | * | trans | -60.2 | 92.8 | 174 | 50.3 | 0 | 0 | 0 | 0 | 106.8 | F47 K51 | F47-S49 PolarHBondContact O-N 3.33Å; S49-K51 PolarHBondContact O-N 3.21Å | ||
| 50 | R | 41.7 | Very low | 42.4 | Very low | 198 Ų | 198 | 121.1 Ų | 121.1 | 75% | 0.747 | 61% | 0.612 | S | S | * | * | trans | -55.3 | 114.7 | 171.8 | -175.8 | 177.1 | -178.9 | -179.7 | 0.3 | 104.7 | A48 P52 | A48-R50 PolarHBondContact O-N 2.95Å; R50-P52 VanDerWaalsContact O-N 3.16Å | ||
| 51 | K | 38.6 | Very low | 42.9 | Very low | 184 Ų | 184 | 121.2 Ų | 121.2 | 80% | 0.8 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 127.9 | 171 | -79.3 | -172.4 | 176.9 | -177.6 | 0 | 106.1 | S49 T53 | S49-K51 PolarHBondContact O-N 3.21Å; K51-T53 PolarHBondContact O-N 3.41Å |
| 52 | P | 43.4 | Very low | 43.5 | Very low | 87 Ų | 87 | 116.7 Ų | 116.7 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 121.9 | 177 | 18.6 | -28.5 | 0 | 0 | 0 | 107 | R50 D56 | R50-P52 VanDerWaalsContact O-N 3.16Å; P52-D56 WeakPolarHBondContact CA-OD2 3.38Å; P52-D56 HydrophobicContact CB-CB 3.73Å |
| 53 | T | 49.4 | Very low | 44 | Very low | 38 Ų | 38 | 113.2 Ų | 113.2 | 23% | 0.233 | 57% | 0.566 | C | S | . | * | P | Polyproline II helix | trans | -63.3 | 160.3 | 173.5 | 56.8 | 0 | 0 | 0 | 0 | 108.2 | K51 Y55 D56 L57 | K51-T53 PolarHBondContact O-N 3.41Å; T53-Y55 PolarHBondContact O-N 2.99Å; T53-Y55 VanDerWaalsContact O-N 3.11Å; T53-Y55 WeakPolarHBondContact OG1-CB 3.32Å; T53-D56 PolarHBondContact N-OD2 3.49Å; T53-D56 WeakPolarHBondContact O-CB 3.34Å; T53-D56 PolarHBondContact O-N 3.35Å; T53-D56 PolarHBondContact OG1-N 3.11Å; T53-D56 PolarHBondContact OG1-OD2 3.16Å; T53-L57 PolarHBondContact O-N 2.98Å |
| 54 | T | 46.3 | Very low | 45.1 | Very low | 99 Ų | 99 | 110.8 Ų | 110.8 | 61% | 0.607 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -48.1 | -38.8 | 170.6 | 25.2 | 0 | 0 | 0 | 0 | 110.9 | D56 L57 Y58 | T54-D56 PolarHBondContact O-N 3.06Å; T54-L57 PolarHBondContact O-N 2.73Å; T54-Y58 WeakPolarHBondContact O-CD2 3.48Å; T54-Y58 PolarHBondContact O-N 3.3Å |
| 55 | Y | 40.5 | Very low | 46 | Very low | 116 Ų | 116 | 110.6 Ų | 110.6 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -53.6 | -47.1 | 171.8 | -61.2 | -79.8 | 0 | 0 | 0 | 114.5 | T53 L57 Y58 A59 E385 | T53-Y55 PolarHBondContact O-N 2.99Å; T53-Y55 VanDerWaalsContact O-N 3.11Å; T53-Y55 WeakPolarHBondContact OG1-CB 3.32Å; Y55-L57 VanDerWaalsContact C-N 3.26Å; Y55-L57 PolarHBondContact O-N 2.65Å; Y55-Y58 PolarHBondContact O-N 3.44Å; Y55-A59 WeakPolarHBondContact O-CB 3.33Å; Y55-A59 PolarHBondContact O-N 2.86Å; Y55-E385 VanDerWaalsContact CE1-C 3.42Å; Y55-E385 WeakPolarHBondContact CE1-O 3.31Å; Y55-E385 PolarHBondContact OH-O 3.02Å; Y55-E385 PolarHBondContact OH-OXT 3.27Å |
| 56 | D | 46.8 | Very low | 47 | Very low | 71 Ų | 71 | 105.9 Ų | 105.9 | 38% | 0.38 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -36.5 | -179.1 | -62.4 | -51.7 | 0 | 0 | 0 | 111 | P52 T53 T54 D60 | P52-D56 WeakPolarHBondContact CA-OD2 3.38Å; P52-D56 HydrophobicContact CB-CB 3.73Å; T53-D56 PolarHBondContact N-OD2 3.49Å; T53-D56 WeakPolarHBondContact O-CB 3.34Å; T53-D56 PolarHBondContact O-N 3.35Å; T53-D56 PolarHBondContact OG1-N 3.11Å; T53-D56 PolarHBondContact OG1-OD2 3.16Å; T54-D56 PolarHBondContact O-N 3.06Å; D56-D60 PolarHBondContact O-N 3.25Å; D56-D60 VanDerWaalsContact O-N 3.07Å |
| 57 | L | 54.2 | Low | 48.1 | Very low | 106 Ų | 106 | 103.8 Ų | 103.8 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.2 | -38.7 | -179.7 | -134.2 | 121.1 | 0 | 0 | 0 | 112.7 | T53 T54 Y55 R61 | T53-L57 PolarHBondContact O-N 2.98Å; T54-L57 PolarHBondContact O-N 2.73Å; Y55-L57 VanDerWaalsContact C-N 3.26Å; Y55-L57 PolarHBondContact O-N 2.65Å; L57-R61 PolarHBondContact O-N 3.08Å |
| 58 | Y | 50.5 | Low | 49.6 | Very low | 129 Ų | 129 | 102 Ų | 102 | 51% | 0.506 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.9 | -38.7 | 174.3 | -75 | -70.6 | 0 | 0 | 0 | 111.8 | T54 Y55 R61 F62 | T54-Y58 WeakPolarHBondContact O-CD2 3.48Å; T54-Y58 PolarHBondContact O-N 3.3Å; Y55-Y58 PolarHBondContact O-N 3.44Å; Y58-R61 PolarHBondContact O-N 2.89Å; Y58-F62 WeakPolarHBondContact O-CB 3.3Å; Y58-F62 PolarHBondContact O-N 3.36Å |
| 59 | A | 50.1 | Low | 50.9 | Low | 11 Ų | 11 | 103.2 Ų | 103.2 | 9% | 0.091 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -57.3 | -48.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y55 R61 F62 L63 T265 V269 | Y55-A59 WeakPolarHBondContact O-CB 3.33Å; Y55-A59 PolarHBondContact O-N 2.86Å; A59-R61 PolarHBondContact O-N 3.2Å; A59-F62 PolarHBondContact O-N 3.48Å; A59-L63 VanDerWaalsContact O-CG 3.31Å; A59-L63 WeakPolarHBondContact O-CG 3.29Å; A59-L63 PolarHBondContact O-N 2.97Å; A59-T265 HydrophobicContact CB-CG2 3.71Å; A59-V269 HydrophobicContact CB-CG2 3.88Å |
| 60 | D | 55 | Low | 51.7 | Low | 108 Ų | 108 | 103.1 Ų | 103.1 | 58% | 0.578 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 177.3 | -97.4 | 3.5 | 0 | 0 | 0 | 112.3 | D56 F62 L63 L64 | D56-D60 PolarHBondContact O-N 3.25Å; D56-D60 VanDerWaalsContact O-N 3.07Å; D60-F62 PolarHBondContact O-N 3.01Å; D60-L63 PolarHBondContact O-N 2.75Å; D60-L64 WeakPolarHBondContact O-CB 3.5Å; D60-L64 WeakPolarHBondContact O-CG 3.32Å; D60-L64 PolarHBondContact O-N 3.33Å |
| 61 | R | 61.9 | Low | 52.5 | Low | 136 Ų | 136 | 101.8 Ų | 101.8 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 177.6 | -168.1 | 175.5 | -72 | -154.4 | 0.6 | 111.4 | L57 Y58 A59 L64 Y65 | L57-R61 PolarHBondContact O-N 3.08Å; Y58-R61 PolarHBondContact O-N 2.89Å; A59-R61 PolarHBondContact O-N 3.2Å; R61-L64 WeakPolarHBondContact O-CB 3.31Å; R61-L64 PolarHBondContact O-N 2.9Å; R61-Y65 HydrophobicContact CG-CD2 4.24Å; R61-Y65 HydrophobicContact CG-CE2 4.02Å; R61-Y65 VanDerWaalsContact O-CD2 3.22Å; R61-Y65 WeakPolarHBondContact O-CD2 3.41Å; R61-Y65 PolarHBondContact O-N 2.65Å; R61-Y65 VanDerWaalsContact O-N 3.13Å |
| 62 | F | 51.8 | Low | 53.2 | Low | 56 Ų | 56 | 93.2 Ų | 93.2 | 25% | 0.246 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 176 | 175.1 | -98.9 | 0 | 0 | 0 | 111.9 | Y58 A59 D60 L64 Y65 F66 A268 F272 | Y58-F62 WeakPolarHBondContact O-CB 3.3Å; Y58-F62 PolarHBondContact O-N 3.36Å; A59-F62 PolarHBondContact O-N 3.48Å; D60-F62 PolarHBondContact O-N 3.01Å; F62-L64 PolarHBondContact O-N 3.35Å; F62-Y65 CarbonylContact O-C 3.58Å; F62-Y65 WeakPolarHBondContact O-CA 2.87Å; F62-Y65 PolarHBondContact O-N 2.84Å; F62-F66 HydrophobicContact CE1-CB 4.34Å; F62-F66 HydrophobicContact CZ-CD2 4.32Å; F62-F66 PolarHBondContact O-N 3.24Å; F62-A268 HydrophobicContact CE1-CB 4.15Å; F62-F272 HydrophobicContact CE2-CD2 4.33Å; F62-F272 HydrophobicContact CE2-CG 4.32Å |
| 63 | L | 54.2 | Low | 53.6 | Low | 60 Ų | 60 | 96.6 Ų | 96.6 | 31% | 0.314 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.2 | -36.9 | 174.6 | -72.3 | 177.8 | 0 | 0 | 0 | 111.9 | A59 D60 Y65 F66 S67 T265 | A59-L63 VanDerWaalsContact O-CG 3.31Å; A59-L63 WeakPolarHBondContact O-CG 3.29Å; A59-L63 PolarHBondContact O-N 2.97Å; D60-L63 PolarHBondContact O-N 2.75Å; L63-Y65 VanDerWaalsContact C-N 3.33Å; L63-Y65 PolarHBondContact O-N 2.84Å; L63-F66 PolarHBondContact O-N 2.66Å; L63-S67 VanDerWaalsContact O-CB 3.25Å; L63-S67 WeakPolarHBondContact O-CB 3.43Å; L63-S67 PolarHBondContact O-N 2.96Å; L63-S67 PolarHBondContact O-OG 2.66Å; L63-T265 HydrophobicContact CD1-CG2 3.54Å; L63-T265 HydrophobicContact CD2-CG2 4.19Å; L63-T265 HydrophobicContact CG-CG2 3.88Å |
| 64 | L | 60.9 | Low | 54 | Low | 103 Ų | 103 | 98.6 Ų | 98.6 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66 | -29 | 172.6 | -79.4 | 166.1 | 0 | 0 | 0 | 113.7 | D60 R61 F62 S67 K68 | D60-L64 WeakPolarHBondContact O-CB 3.5Å; D60-L64 WeakPolarHBondContact O-CG 3.32Å; D60-L64 PolarHBondContact O-N 3.33Å; R61-L64 WeakPolarHBondContact O-CB 3.31Å; R61-L64 PolarHBondContact O-N 2.9Å; F62-L64 PolarHBondContact O-N 3.35Å; L64-S67 WeakPolarHBondContact CA-OG 3.48Å; L64-S67 PolarHBondContact O-OG 3.07Å; L64-K68 WeakPolarHBondContact O-CD 3.23Å; L64-K68 VanDerWaalsContact O-CG 3.24Å; L64-K68 WeakPolarHBondContact O-CG 3.27Å |
| 65 | Y | 57.2 | Low | 54.3 | Low | 153 Ų | 153 | 99.6 Ų | 99.6 | 60% | 0.6 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -81.5 | -42 | 172.6 | -84.4 | -75.4 | 0 | 0 | 0 | 112.1 | R61 F62 L63 S67 K68 | R61-Y65 HydrophobicContact CG-CD2 4.24Å; R61-Y65 HydrophobicContact CG-CE2 4.02Å; R61-Y65 VanDerWaalsContact O-CD2 3.22Å; R61-Y65 WeakPolarHBondContact O-CD2 3.41Å; R61-Y65 PolarHBondContact O-N 2.65Å; R61-Y65 VanDerWaalsContact O-N 3.13Å; F62-Y65 CarbonylContact O-C 3.58Å; F62-Y65 WeakPolarHBondContact O-CA 2.87Å; F62-Y65 PolarHBondContact O-N 2.84Å; L63-Y65 VanDerWaalsContact C-N 3.33Å; L63-Y65 PolarHBondContact O-N 2.84Å; Y65-S67 VanDerWaalsContact C-N 3.35Å; Y65-S67 PolarHBondContact O-N 3Å; Y65-K68 WeakPolarHBondContact O-CB 3.21Å; Y65-K68 PolarHBondContact O-N 3.21Å |
| 66 | F | 55.8 | Low | 55 | Low | 82 Ų | 82 | 99.5 Ų | 99.5 | 36% | 0.36 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 179 | -170.6 | -94.4 | 0 | 0 | 0 | 111.3 | F62 L63 K68 L69 A72 | F62-F66 HydrophobicContact CE1-CB 4.34Å; F62-F66 HydrophobicContact CZ-CD2 4.32Å; F62-F66 PolarHBondContact O-N 3.24Å; L63-F66 PolarHBondContact O-N 2.66Å; F66-K68 PolarHBondContact O-N 3.26Å; F66-L69 HydrophobicContact CD2-CD1 3.81Å; F66-L69 HydrophobicContact CE2-CD1 4.08Å; F66-L69 HydrophobicContact CG-CD1 4.43Å; F66-L69 WeakPolarHBondContact O-CB 3.33Å; F66-L69 PolarHBondContact O-N 2.69Å; F66-A72 HydrophobicContact CD1-CB 4.42Å; F66-A72 HydrophobicContact CE1-CB 4.26Å; F66-A72 WeakPolarHBondContact O-CB 3.46Å |
| 67 | S | 55.2 | Low | 55.4 | Low | 76 Ų | 76 | 101 Ų | 101 | 53% | 0.531 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.9 | 173.5 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | L63 L64 Y65 | L63-S67 VanDerWaalsContact O-CB 3.25Å; L63-S67 WeakPolarHBondContact O-CB 3.43Å; L63-S67 PolarHBondContact O-N 2.96Å; L63-S67 PolarHBondContact O-OG 2.66Å; L64-S67 WeakPolarHBondContact CA-OG 3.48Å; L64-S67 PolarHBondContact O-OG 3.07Å; Y65-S67 VanDerWaalsContact C-N 3.35Å; Y65-S67 PolarHBondContact O-N 3Å |
| 68 | K | 61.5 | Low | 55.6 | Low | 152 Ų | 152 | 102.8 Ų | 102.8 | 66% | 0.661 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -5.4 | 174.9 | -71.7 | 173.8 | -176 | 179.5 | 0 | 113.7 | L64 Y65 F66 | L64-K68 WeakPolarHBondContact O-CD 3.23Å; L64-K68 VanDerWaalsContact O-CG 3.24Å; L64-K68 WeakPolarHBondContact O-CG 3.27Å; Y65-K68 WeakPolarHBondContact O-CB 3.21Å; Y65-K68 PolarHBondContact O-N 3.21Å; F66-K68 PolarHBondContact O-N 3.26Å |
| 69 | L | 58.5 | Low | 55.9 | Low | 95 Ų | 95 | 97.8 Ų | 97.8 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -70.5 | 130.3 | 175.3 | -70.3 | 167.5 | 0 | 0 | 0 | 109.6 | F66 Y71 A72 | F66-L69 HydrophobicContact CD2-CD1 3.81Å; F66-L69 HydrophobicContact CE2-CD1 4.08Å; F66-L69 HydrophobicContact CG-CD1 4.43Å; F66-L69 WeakPolarHBondContact O-CB 3.33Å; F66-L69 PolarHBondContact O-N 2.69Å; L69-Y71 PolarHBondContact O-N 2.97Å; L69-A72 HydrophobicContact CB-CB 4.28Å; L69-A72 WeakPolarHBondContact O-CB 3.3Å; L69-A72 PolarHBondContact O-N 3.41Å |
| 70 | P | 52.8 | Low | 56.1 | Low | 106 Ų | 106 | 99.2 Ų | 99.2 | 69% | 0.688 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -5.7 | -171.1 | 22.5 | -32.3 | 0 | 0 | 0 | 114.9 | ||
| 71 | Y | 57.7 | Low | 56.2 | Low | 169 Ų | 169 | 102 Ų | 102 | 66% | 0.663 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | 2.4 | 178.9 | -54.8 | -72.7 | 0 | 0 | 0 | 113.6 | L69 E73 V74 L75 | L69-Y71 PolarHBondContact O-N 2.97Å; Y71-E73 VanDerWaalsContact C-N 3.33Å; Y71-E73 PolarHBondContact O-N 2.97Å; Y71-V74 PolarHBondContact O-N 2.93Å; Y71-L75 PolarHBondContact O-N 2.9Å |
| 72 | A | 53.6 | Low | 56.5 | Low | 5 Ų | 5 | 105 Ų | 105 | 4% | 0.041 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F66 L69 L75 L76 | F66-A72 HydrophobicContact CD1-CB 4.42Å; F66-A72 HydrophobicContact CE1-CB 4.26Å; F66-A72 WeakPolarHBondContact O-CB 3.46Å; L69-A72 HydrophobicContact CB-CB 4.28Å; L69-A72 WeakPolarHBondContact O-CB 3.3Å; L69-A72 PolarHBondContact O-N 3.41Å; A72-L75 PolarHBondContact O-N 2.94Å; A72-L76 WeakPolarHBondContact O-CB 3.48Å; A72-L76 WeakPolarHBondContact O-CG 3.45Å; A72-L76 PolarHBondContact O-N 3.03Å |
| 73 | E | 52.6 | Low | 57.4 | Low | 158 Ų | 158 | 112.1 Ų | 112.1 | 74% | 0.738 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.4 | -34.5 | 176.8 | -64.6 | -148.7 | 163.5 | 0 | 0 | 113.2 | Y71 L76 T77 | Y71-E73 VanDerWaalsContact C-N 3.33Å; Y71-E73 PolarHBondContact O-N 2.97Å; E73-L76 PolarHBondContact O-N 2.89Å; E73-T77 WeakPolarHBondContact O-CB 3.35Å; E73-T77 WeakPolarHBondContact O-CG2 3.36Å; E73-T77 PolarHBondContact O-N 3.4Å; E73-T77 PolarHBondContact O-OG1 2.97Å |
| 74 | V | 56.3 | Low | 58.4 | Low | 79 Ų | 79 | 115.9 Ų | 115.9 | 48% | 0.479 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.1 | -39.4 | 175.3 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | Y71 T77 L78 | Y71-V74 PolarHBondContact O-N 2.93Å; V74-T77 VanDerWaalsContact CA-OG1 3.3Å; V74-T77 WeakPolarHBondContact CA-OG1 3.44Å; V74-T77 PolarHBondContact O-N 3.17Å; V74-T77 PolarHBondContact O-OG1 2.93Å; V74-L78 HydrophobicContact CG1-CD1 4.28Å; V74-L78 WeakPolarHBondContact O-CG 3.26Å; V74-L78 PolarHBondContact O-N 3.2Å; V74-L78 VanDerWaalsContact O-N 3.17Å |
| 75 | L | 54.3 | Low | 59.2 | Low | 120 Ų | 120 | 113.9 Ų | 113.9 | 63% | 0.628 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.8 | -40.1 | 174.9 | -128.7 | 92 | 0 | 0 | 0 | 111.6 | Y71 A72 A79 | Y71-L75 PolarHBondContact O-N 2.9Å; A72-L75 PolarHBondContact O-N 2.94Å; L75-A79 PolarHBondContact O-N 3.28Å |
| 76 | L | 54.5 | Low | 60.3 | Low | 115 Ų | 115 | 110.6 Ų | 110.6 | 60% | 0.602 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.7 | -31.2 | 178.5 | -72.1 | 169.1 | 0 | 0 | 0 | 112.9 | A72 E73 A79 | A72-L76 WeakPolarHBondContact O-CB 3.48Å; A72-L76 WeakPolarHBondContact O-CG 3.45Å; A72-L76 PolarHBondContact O-N 3.03Å; E73-L76 PolarHBondContact O-N 2.89Å; L76-A79 VanDerWaalsContact O-CB 3.31Å; L76-A79 WeakPolarHBondContact O-CB 3.28Å; L76-A79 PolarHBondContact O-N 3.01Å |
| 77 | T | 54.8 | Low | 61.7 | Low | 103 Ų | 103 | 108 Ų | 108 | 63% | 0.632 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -77.2 | -28.2 | 177.4 | 48.9 | 0 | 0 | 0 | 0 | 112.9 | E73 V74 A79 | E73-T77 WeakPolarHBondContact O-CB 3.35Å; E73-T77 WeakPolarHBondContact O-CG2 3.36Å; E73-T77 PolarHBondContact O-N 3.4Å; E73-T77 PolarHBondContact O-OG1 2.97Å; V74-T77 VanDerWaalsContact CA-OG1 3.3Å; V74-T77 WeakPolarHBondContact CA-OG1 3.44Å; V74-T77 PolarHBondContact O-N 3.17Å; V74-T77 PolarHBondContact O-OG1 2.93Å; T77-A79 VanDerWaalsContact C-N 3.28Å |
| 78 | L | 59.1 | Low | 63.3 | Low | 143 Ų | 143 | 106.7 Ų | 106.7 | 75% | 0.749 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -78 | -12.5 | 169.9 | -67.7 | 170.8 | 0 | 0 | 0 | 112.9 | V74 | V74-L78 HydrophobicContact CG1-CD1 4.28Å; V74-L78 WeakPolarHBondContact O-CG 3.26Å; V74-L78 PolarHBondContact O-N 3.2Å; V74-L78 VanDerWaalsContact O-N 3.17Å |
| 79 | A | 55.3 | Low | 64.6 | Low | 23 Ų | 23 | 104.2 Ų | 104.2 | 19% | 0.19 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -69.5 | 136.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L75 L76 T77 Q81 | L75-A79 PolarHBondContact O-N 3.28Å; L76-A79 VanDerWaalsContact O-CB 3.31Å; L76-A79 WeakPolarHBondContact O-CB 3.28Å; L76-A79 PolarHBondContact O-N 3.01Å; T77-A79 VanDerWaalsContact C-N 3.28Å; A79-Q81 PolarHBondContact O-N 3.12Å |
| 80 | P | 56 | Low | 66.1 | Low | 42 Ų | 42 | 101.4 Ų | 101.4 | 27% | 0.273 | 50% | 0.495 | S | S | . | . | trans | -54.7 | 133 | 177.8 | -25.5 | 33.6 | 0 | 0 | 0 | 112.5 | R82 T85 L89 | P80-R82 VanDerWaalsContact C-N 3.26Å; P80-R82 PolarHBondContact O-N 3.34Å; P80-T85 HydrophobicContact CB-CG2 3.62Å; P80-T85 HydrophobicContact CG-CG2 3.68Å; P80-L89 VanDerWaalsContact CD-CD2 3.48Å; P80-L89 HydrophobicContact CG-CD2 3.89Å | ||
| 81 | Q | 56.2 | Low | 68 | Low | 167 Ų | 167 | 96.4 Ų | 96.4 | 78% | 0.78 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -68.8 | -22.6 | -179.1 | -70.1 | -67.9 | -21.2 | 0 | 0 | 113.5 | A79 R83 | A79-Q81 PolarHBondContact O-N 3.12Å; Q81-R83 PolarHBondContact O-N 3.08Å |
| 82 | R | 67.3 | Low | 69.7 | Low | 199 Ų | 199 | 90.2 Ų | 90.2 | 75% | 0.751 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -75.3 | 119.7 | 178.3 | -69.8 | -170.1 | 178 | -174.9 | 0.3 | 109.7 | P80 F84 T85 R86 | P80-R82 VanDerWaalsContact C-N 3.26Å; P80-R82 PolarHBondContact O-N 3.34Å; R82-F84 PolarHBondContact O-N 3.03Å; R82-F84 VanDerWaalsContact O-N 3.15Å; R82-T85 PolarHBondContact O-N 3.33Å; R82-R86 PolarHBondContact O-N 2.98Å |
| 83 | R | 71.9 | Confident | 71.6 | Confident | 204 Ų | 204 | 91.7 Ų | 91.7 | 77% | 0.77 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -47.5 | -44.9 | 179.7 | -72.6 | -170.1 | 178.1 | -166.8 | -0.3 | 112.7 | Q81 R86 L87 | Q81-R83 PolarHBondContact O-N 3.08Å; R83-R86 PolarHBondContact O-N 2.81Å; R83-L87 WeakPolarHBondContact O-CB 3.31Å; R83-L87 PolarHBondContact O-N 3.34Å |
| 84 | F | 74.5 | Confident | 73.5 | Confident | 139 Ų | 139 | 84.8 Ų | 84.8 | 61% | 0.61 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.2 | -51.1 | 177.5 | -176.1 | -95.6 | 0 | 0 | 0 | 112.3 | R82 R86 L87 W88 | R82-F84 PolarHBondContact O-N 3.03Å; R82-F84 VanDerWaalsContact O-N 3.15Å; F84-R86 VanDerWaalsContact C-N 3.31Å; F84-R86 PolarHBondContact O-N 3.3Å; F84-L87 PolarHBondContact O-N 3Å; F84-W88 AromaticContact CD2-NE1 3.92Å; F84-W88 AromaticContact CE1-CD1 3.74Å; F84-W88 HydrophobicContact CE1-CG 4.43Å; F84-W88 AromaticContact CE1-NE1 3.69Å; F84-W88 AromaticContact CE2-CD1 3.79Å; F84-W88 AromaticContact CE2-NE1 3.23Å; F84-W88 AromaticContact CZ-CD1 3.63Å; F84-W88 AromaticContact CZ-CE2 3.79Å; F84-W88 HydrophobicContact CZ-CZ2 4.35Å; F84-W88 AromaticContact CZ-NE1 3.09Å; F84-W88 VanDerWaalsContact O-CD1 3.25Å; F84-W88 PolarHBondContact O-N 3.34Å; F84-W88 VanDerWaalsContact O-N 3.11Å |
| 85 | T | 78.1 | Confident | 75.3 | Confident | 62 Ų | 62 | 81 Ų | 81 | 38% | 0.38 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 179.7 | -47 | 0 | 0 | 0 | 0 | 111.7 | P80 R82 L89 | P80-T85 HydrophobicContact CB-CG2 3.62Å; P80-T85 HydrophobicContact CG-CG2 3.68Å; R82-T85 PolarHBondContact O-N 3.33Å; T85-L89 WeakPolarHBondContact O-CB 3.28Å; T85-L89 PolarHBondContact O-N 3.45Å |
| 86 | R | 79.6 | Confident | 77.2 | Confident | 83 Ų | 83 | 78.8 Ų | 78.8 | 31% | 0.313 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 176.7 | -172.7 | 173.3 | 63.7 | -157.4 | 3.7 | 111.9 | R82 R83 F84 L89 S90 | R82-R86 PolarHBondContact O-N 2.98Å; R83-R86 PolarHBondContact O-N 2.81Å; F84-R86 VanDerWaalsContact C-N 3.31Å; F84-R86 PolarHBondContact O-N 3.3Å; R86-L89 PolarHBondContact O-N 2.88Å; R86-S90 WeakPolarHBondContact O-CB 3.34Å; R86-S90 PolarHBondContact O-N 3.17Å; R86-S90 PolarHBondContact O-OG 3.38Å; R86-S90 VanDerWaalsContact O-OG 3.06Å |
| 87 | L | 85.8 | Confident | 78.9 | Confident | 29 Ų | 29 | 77.7 Ų | 77.7 | 15% | 0.152 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.5 | -55 | 176.5 | 172.9 | 73.5 | 0 | 0 | 0 | 111.1 | R83 F84 L89 S90 A91 Y260 L261 L318 | R83-L87 WeakPolarHBondContact O-CB 3.31Å; R83-L87 PolarHBondContact O-N 3.34Å; F84-L87 PolarHBondContact O-N 3Å; L87-L89 VanDerWaalsContact C-N 3.33Å; L87-L89 PolarHBondContact O-N 3.17Å; L87-S90 PolarHBondContact O-N 3.11Å; L87-A91 WeakPolarHBondContact O-CB 3.37Å; L87-A91 PolarHBondContact O-N 2.96Å; L87-Y260 VanDerWaalsContact CD1-C 3.43Å; L87-Y260 WeakPolarHBondContact CD1-O 2.99Å; L87-L261 HydrophobicContact CD2-CD2 3.57Å; L87-L261 HydrophobicContact CD2-CG 4.34Å; L87-L318 HydrophobicContact CD1-CD2 4.45Å; L87-L318 HydrophobicContact CD2-CD2 4.19Å; L87-L318 HydrophobicContact CG-CD2 4.06Å |
| 88 | W | 89.6 | Confident | 80.7 | Confident | 47 Ų | 47 | 72.8 Ų | 72.8 | 18% | 0.178 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | -179.9 | -82.2 | 75.6 | 0 | 0 | 0 | 111.8 | F84 I92 L318 F319 | F84-W88 AromaticContact CD2-NE1 3.92Å; F84-W88 AromaticContact CE1-CD1 3.74Å; F84-W88 HydrophobicContact CE1-CG 4.43Å; F84-W88 AromaticContact CE1-NE1 3.69Å; F84-W88 AromaticContact CE2-CD1 3.79Å; F84-W88 AromaticContact CE2-NE1 3.23Å; F84-W88 AromaticContact CZ-CD1 3.63Å; F84-W88 AromaticContact CZ-CE2 3.79Å; F84-W88 HydrophobicContact CZ-CZ2 4.35Å; F84-W88 AromaticContact CZ-NE1 3.09Å; F84-W88 VanDerWaalsContact O-CD1 3.25Å; F84-W88 PolarHBondContact O-N 3.34Å; F84-W88 VanDerWaalsContact O-N 3.11Å; W88-I92 HydrophobicContact CE3-CG1 4.35Å; W88-I92 VanDerWaalsContact O-CB 3.23Å; W88-I92 WeakPolarHBondContact O-CB 3.33Å; W88-I92 VanDerWaalsContact O-CG1 3.24Å; W88-I92 WeakPolarHBondContact O-CG1 3.35Å; W88-I92 PolarHBondContact O-N 3.35Å; W88-L318 HydrophobicContact CD2-CB 4.33Å; W88-L318 HydrophobicContact CD2-CD1 3.86Å; W88-L318 HydrophobicContact CE3-CB 4.47Å; W88-L318 HydrophobicContact CE3-CD1 3.7Å; W88-L318 HydrophobicContact CG-CD1 4.36Å; W88-L318 HydrophobicContact CH2-CB 3.77Å; W88-L318 HydrophobicContact CH2-CD1 4.38Å; W88-L318 HydrophobicContact CZ2-CB 3.61Å; W88-L318 HydrophobicContact CZ3-CB 4.21Å; W88-L318 HydrophobicContact CZ3-CD1 3.98Å; W88-F319 AromaticContact CH2-CD1 3.95Å; W88-F319 HydrophobicContact CH2-CD1 3.95Å; W88-F319 AromaticContact CH2-CD2 3.92Å; W88-F319 HydrophobicContact CH2-CD2 3.92Å; W88-F319 AromaticContact CH2-CE1 3.66Å; W88-F319 HydrophobicContact CH2-CE1 3.66Å; W88-F319 AromaticContact CH2-CE2 3.63Å; W88-F319 HydrophobicContact CH2-CE2 3.63Å; W88-F319 HydrophobicContact CH2-CG 4.07Å; W88-F319 AromaticContact CH2-CZ 3.49Å; W88-F319 HydrophobicContact CH2-CZ 3.49Å; W88-F319 VanDerWaalsContact CH2-CZ 3.49Å; W88-F319 HydrophobicContact CZ2-CD1 4.01Å; W88-F319 AromaticContact CZ2-CE1 3.93Å; W88-F319 HydrophobicContact CZ2-CE1 3.93Å; W88-F319 HydrophobicContact CZ2-CG 4.37Å; W88-F319 HydrophobicContact CZ2-CZ 4.23Å; W88-F319 HydrophobicContact CZ3-CE2 4.37Å; W88-F319 HydrophobicContact CZ3-CZ 4.3Å |
| 89 | L | 89 | Confident | 82 | Confident | 101 Ų | 101 | 66.2 Ų | 66.2 | 53% | 0.529 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 178.7 | -173.9 | 66.6 | 0 | 0 | 0 | 111.9 | P80 T85 R86 L87 G93 | P80-L89 VanDerWaalsContact CD-CD2 3.48Å; P80-L89 HydrophobicContact CG-CD2 3.89Å; T85-L89 WeakPolarHBondContact O-CB 3.28Å; T85-L89 PolarHBondContact O-N 3.45Å; R86-L89 PolarHBondContact O-N 2.88Å; L87-L89 VanDerWaalsContact C-N 3.33Å; L87-L89 PolarHBondContact O-N 3.17Å; L89-G93 WeakPolarHBondContact O-CA 3.47Å; L89-G93 PolarHBondContact O-N 3.01Å |
| 90 | S | 89.8 | Confident | 83.5 | Confident | 36 Ų | 36 | 68.7 Ų | 68.7 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.1 | -49.5 | 176.9 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | R86 L87 G93 S94 Y260 | R86-S90 WeakPolarHBondContact O-CB 3.34Å; R86-S90 PolarHBondContact O-N 3.17Å; R86-S90 PolarHBondContact O-OG 3.38Å; R86-S90 VanDerWaalsContact O-OG 3.06Å; L87-S90 PolarHBondContact O-N 3.11Å; S90-G93 PolarHBondContact O-N 2.83Å; S90-S94 WeakPolarHBondContact O-CB 3.21Å; S90-S94 PolarHBondContact O-N 3.15Å; S90-S94 PolarHBondContact O-OG 3.1Å; S90-Y260 VanDerWaalsContact CB-CE1 3.48Å |
| 91 | A | 91.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.8 | -48.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L87 S94 T95 Y260 L318 | L87-A91 WeakPolarHBondContact O-CB 3.37Å; L87-A91 PolarHBondContact O-N 2.96Å; A91-S94 PolarHBondContact O-N 2.94Å; A91-T95 WeakPolarHBondContact O-CB 3.19Å; A91-T95 PolarHBondContact O-N 3.14Å; A91-T95 PolarHBondContact O-OG1 3.18Å; A91-Y260 VanDerWaalsContact CA-CD2 3.48Å; A91-Y260 HydrophobicContact CB-CD2 3.73Å; A91-Y260 HydrophobicContact CB-CG 3.91Å; A91-L318 HydrophobicContact CB-CD1 3.83Å; A91-L318 HydrophobicContact CB-CD2 3.9Å; A91-L318 HydrophobicContact CB-CG 4.29Å |
| 92 | I | 93.2 | Very high | 85.8 | Confident | 40 Ų | 40 | 60 Ų | 60 | 21% | 0.205 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67 | -40.8 | 177.2 | -62.5 | -65.1 | 0 | 0 | 0 | 110.8 | W88 S94 T95 I96 L311 L318 | W88-I92 HydrophobicContact CE3-CG1 4.35Å; W88-I92 VanDerWaalsContact O-CB 3.23Å; W88-I92 WeakPolarHBondContact O-CB 3.33Å; W88-I92 VanDerWaalsContact O-CG1 3.24Å; W88-I92 WeakPolarHBondContact O-CG1 3.35Å; W88-I92 PolarHBondContact O-N 3.35Å; I92-S94 VanDerWaalsContact C-N 3.35Å; I92-S94 PolarHBondContact O-N 2.87Å; I92-T95 PolarHBondContact O-N 3.29Å; I92-I96 HydrophobicContact CG2-CD1 3.9Å; I92-I96 HydrophobicContact CG2-CG1 4.42Å; I92-I96 VanDerWaalsContact O-CG1 3.28Å; I92-I96 WeakPolarHBondContact O-CG1 3.46Å; I92-I96 PolarHBondContact O-N 3.4Å; I92-L311 HydrophobicContact CG2-CD2 4.37Å; I92-L318 HydrophobicContact CD1-CD1 4.21Å; I92-L318 HydrophobicContact CG1-CD1 4.23Å |
| 93 | G | 93.3 | Very high | 86.6 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 36% | 0.361 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L89 S90 I96 L97 | L89-G93 WeakPolarHBondContact O-CA 3.47Å; L89-G93 PolarHBondContact O-N 3.01Å; S90-G93 PolarHBondContact O-N 2.83Å; G93-I96 PolarHBondContact O-N 3Å; G93-L97 WeakPolarHBondContact O-CB 3.33Å; G93-L97 PolarHBondContact O-N 3.28Å |
| 94 | S | 93.8 | Very high | 87.2 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -42 | 173.6 | -74.1 | 0 | 0 | 0 | 0 | 112.7 | S90 A91 I92 I96 L97 I98 Y260 T271 | S90-S94 WeakPolarHBondContact O-CB 3.21Å; S90-S94 PolarHBondContact O-N 3.15Å; S90-S94 PolarHBondContact O-OG 3.1Å; A91-S94 PolarHBondContact O-N 2.94Å; I92-S94 VanDerWaalsContact C-N 3.35Å; I92-S94 PolarHBondContact O-N 2.87Å; S94-I96 VanDerWaalsContact C-N 3.32Å; S94-I96 PolarHBondContact O-N 3.28Å; S94-L97 WeakPolarHBondContact O-CB 3.42Å; S94-L97 PolarHBondContact O-N 3.45Å; S94-L97 VanDerWaalsContact O-N 3.07Å; S94-I98 WeakPolarHBondContact O-CG2 3.4Å; S94-I98 PolarHBondContact O-N 3.28Å; S94-Y260 WeakPolarHBondContact OG-CE2 3.45Å; S94-Y260 PolarHBondContact OG-OH 3.49Å; S94-T271 VanDerWaalsContact CB-CG2 3.45Å; S94-T271 WeakPolarHBondContact CB-OG1 3.43Å; S94-T271 PolarHBondContact OG-OG1 3.23Å |
| 95 | T | 93.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -39.5 | 176.8 | -51 | 0 | 0 | 0 | 0 | 111.4 | A91 I92 L97 I98 S99 A310 L311 C314 | A91-T95 WeakPolarHBondContact O-CB 3.19Å; A91-T95 PolarHBondContact O-N 3.14Å; A91-T95 PolarHBondContact O-OG1 3.18Å; I92-T95 PolarHBondContact O-N 3.29Å; T95-L97 VanDerWaalsContact C-N 3.32Å; T95-I98 WeakPolarHBondContact O-CG1 3.25Å; T95-S99 PolarHBondContact O-N 2.72Å; T95-S99 PolarHBondContact O-OG 3.31Å; T95-A310 VanDerWaalsContact CG2-C 3.46Å; T95-A310 HydrophobicContact CG2-CB 3.68Å; T95-L311 HydrophobicContact CG2-CD2 3.78Å; T95-L311 HydrophobicContact CG2-CG 4.21Å; T95-C314 HydrophobicContact CG2-CB 4.09Å; T95-C314 WeakPolarHBondContact OG1-CB 3.49Å; T95-C314 PolarHBondContact OG1-SG 3.46Å |
| 96 | I | 93.1 | Very high | 88 | Confident | 74 Ų | 74 | 39.9 Ų | 39.9 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.4 | -38.6 | 172.6 | -69 | 169.9 | 0 | 0 | 0 | 110.8 | I92 G93 S94 S99 L100 L311 | I92-I96 HydrophobicContact CG2-CD1 3.9Å; I92-I96 HydrophobicContact CG2-CG1 4.42Å; I92-I96 VanDerWaalsContact O-CG1 3.28Å; I92-I96 WeakPolarHBondContact O-CG1 3.46Å; I92-I96 PolarHBondContact O-N 3.4Å; G93-I96 PolarHBondContact O-N 3Å; S94-I96 VanDerWaalsContact C-N 3.32Å; S94-I96 PolarHBondContact O-N 3.28Å; I96-S99 PolarHBondContact O-N 3.38Å; I96-L100 HydrophobicContact CG2-CD1 3.45Å; I96-L100 VanDerWaalsContact CG2-CD1 3.45Å; I96-L100 HydrophobicContact CG2-CG 4.02Å; I96-L100 WeakPolarHBondContact O-CB 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.36Å; I96-L100 PolarHBondContact O-N 2.9Å; I96-L311 HydrophobicContact CG1-CD2 3.95Å |
| 97 | L | 91.7 | Very high | 88.3 | Confident | 91 Ų | 91 | 41.5 Ų | 41.5 | 48% | 0.476 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.8 | -47.5 | -179.5 | -179.6 | 66.3 | 0 | 0 | 0 | 112 | G93 S94 T95 S99 L100 A101 L275 | G93-L97 WeakPolarHBondContact O-CB 3.33Å; G93-L97 PolarHBondContact O-N 3.28Å; S94-L97 WeakPolarHBondContact O-CB 3.42Å; S94-L97 PolarHBondContact O-N 3.45Å; S94-L97 VanDerWaalsContact O-N 3.07Å; T95-L97 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 2.92Å; L97-L100 PolarHBondContact O-N 3.43Å; L97-A101 VanDerWaalsContact O-CB 3.27Å; L97-A101 WeakPolarHBondContact O-CB 3.49Å; L97-A101 PolarHBondContact O-N 3.49Å; L97-L275 HydrophobicContact CD2-CD1 4.45Å; L97-L275 HydrophobicContact CG-CD1 4.12Å |
| 98 | I | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -33.2 | 179.5 | 63.9 | 172.9 | 0 | 0 | 0 | 111.8 | S94 T95 P102 V256 T271 V274 L275 | S94-I98 WeakPolarHBondContact O-CG2 3.4Å; S94-I98 PolarHBondContact O-N 3.28Å; T95-I98 WeakPolarHBondContact O-CG1 3.25Å; I98-P102 WeakPolarHBondContact O-CD 3.26Å; I98-P102 VanDerWaalsContact O-CG 3.28Å; I98-P102 WeakPolarHBondContact O-CG 3.44Å; I98-V256 HydrophobicContact CD1-CG2 4.25Å; I98-T271 HydrophobicContact CG2-CG2 3.77Å; I98-T271 WeakPolarHBondContact CG2-O 3.5Å; I98-V274 HydrophobicContact CB-CG1 4.19Å; I98-V274 HydrophobicContact CD1-CG1 3.49Å; I98-V274 VanDerWaalsContact CD1-CG1 3.49Å; I98-V274 HydrophobicContact CG1-CG1 4.41Å; I98-V274 HydrophobicContact CG2-CG1 4.1Å; I98-L275 HydrophobicContact CG2-CB 4Å |
| 99 | S | 87.4 | Confident | 88 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -81.8 | -33.8 | 177.1 | -57.6 | 0 | 0 | 0 | 0 | 114 | T95 I96 L97 A307 | T95-S99 PolarHBondContact O-N 2.72Å; T95-S99 PolarHBondContact O-OG 3.31Å; I96-S99 PolarHBondContact O-N 3.38Å; L97-S99 PolarHBondContact O-N 2.92Å; S99-A307 VanDerWaalsContact CB-CB 3.41Å; S99-A307 WeakPolarHBondContact OG-CB 3.33Å |
| 100 | L | 87.3 | Confident | 87.6 | Confident | 74 Ų | 74 | 44.9 Ų | 44.9 | 39% | 0.387 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -83.6 | -33 | -178 | -73.4 | -179.4 | 0 | 0 | 0 | 113.4 | I96 L97 F103 L104 L304 | I96-L100 HydrophobicContact CG2-CD1 3.45Å; I96-L100 VanDerWaalsContact CG2-CD1 3.45Å; I96-L100 HydrophobicContact CG2-CG 4.02Å; I96-L100 WeakPolarHBondContact O-CB 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.36Å; I96-L100 PolarHBondContact O-N 2.9Å; L97-L100 PolarHBondContact O-N 3.43Å; L100-F103 WeakPolarHBondContact O-CB 3.18Å; L100-F103 PolarHBondContact O-N 3.21Å; L100-L104 WeakPolarHBondContact O-CG 3.2Å; L100-L104 PolarHBondContact O-N 3.43Å; L100-L104 VanDerWaalsContact O-N 3.13Å; L100-L304 HydrophobicContact CD2-CD1 4.01Å |
| 101 | A | 83.5 | Confident | 86.9 | Confident | 25 Ų | 25 | 43.4 Ų | 43.4 | 21% | 0.207 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.1 | -48 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L97 F103 L104 L105 L275 | L97-A101 VanDerWaalsContact O-CB 3.27Å; L97-A101 WeakPolarHBondContact O-CB 3.49Å; L97-A101 PolarHBondContact O-N 3.49Å; A101-F103 VanDerWaalsContact C-N 3.35Å; A101-F103 PolarHBondContact O-N 2.85Å; A101-L104 PolarHBondContact O-N 2.86Å; A101-L105 PolarHBondContact O-N 3.35Å; A101-L275 HydrophobicContact CB-CD1 3.87Å; A101-L275 HydrophobicContact CB-CG 4.45Å |
| 102 | P | 77.1 | Confident | 85.5 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 175.3 | -21.3 | 33.7 | 0 | 0 | 0 | 112.2 | I98 L104 L105 L106 E278 V279 E282 | I98-P102 WeakPolarHBondContact O-CD 3.26Å; I98-P102 VanDerWaalsContact O-CG 3.28Å; I98-P102 WeakPolarHBondContact O-CG 3.44Å; P102-L104 PolarHBondContact O-N 2.99Å; P102-L105 WeakPolarHBondContact O-CA 3.42Å; P102-L105 VanDerWaalsContact O-CB 3.31Å; P102-L105 WeakPolarHBondContact O-CB 3.45Å; P102-L105 PolarHBondContact O-N 3.16Å; P102-L106 WeakPolarHBondContact O-CG 3.47Å; P102-L106 PolarHBondContact O-N 3.33Å; P102-L106 VanDerWaalsContact O-N 3.13Å; P102-E278 HydrophobicContact CG-CB 4.1Å; P102-V279 HydrophobicContact CB-CG2 4.46Å; P102-V279 HydrophobicContact CG-CG2 4.16Å; P102-E282 HydrophobicContact CB-CB 3.48Å; P102-E282 VanDerWaalsContact CB-CB 3.48Å; P102-E282 HydrophobicContact CB-CG 3.47Å; P102-E282 VanDerWaalsContact CB-CG 3.47Å; P102-E282 HydrophobicContact CG-CB 4.42Å; P102-E282 HydrophobicContact CG-CG 4.01Å |
| 103 | F | 84.1 | Confident | 83.9 | Confident | 35 Ų | 35 | 46.5 Ų | 46.5 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -53.3 | -40 | 174.9 | 176.1 | -91.4 | 0 | 0 | 0 | 112.7 | L100 A101 L106 F107 M300 | L100-F103 WeakPolarHBondContact O-CB 3.18Å; L100-F103 PolarHBondContact O-N 3.21Å; A101-F103 VanDerWaalsContact C-N 3.35Å; A101-F103 PolarHBondContact O-N 2.85Å; F103-L106 PolarHBondContact O-N 3.03Å; F103-F107 HydrophobicContact CD1-CE2 4.2Å; F103-F107 AromaticContact CE1-CE2 3.6Å; F103-F107 HydrophobicContact CE1-CE2 3.6Å; F103-F107 HydrophobicContact CE1-CZ 4.32Å; F103-F107 HydrophobicContact CZ-CE2 4.08Å; F103-F107 HydrophobicContact CZ-CZ 4.45Å; F103-M300 HydrophobicContact CD2-CB 4.14Å; F103-M300 HydrophobicContact CD2-CE 4.26Å; F103-M300 HydrophobicContact CE1-CE 4.42Å; F103-M300 HydrophobicContact CE2-CB 3.7Å; F103-M300 HydrophobicContact CE2-CE 3.97Å; F103-M300 HydrophobicContact CZ-CE 4.04Å |
| 104 | L | 84.2 | Confident | 82.1 | Confident | 103 Ų | 103 | 47 Ų | 47 | 54% | 0.539 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.6 | -34.1 | 175.3 | -67 | 177.9 | 0 | 0 | 0 | 112.8 | L100 A101 P102 L106 F107 | L100-L104 WeakPolarHBondContact O-CG 3.2Å; L100-L104 PolarHBondContact O-N 3.43Å; L100-L104 VanDerWaalsContact O-N 3.13Å; A101-L104 PolarHBondContact O-N 2.86Å; P102-L104 PolarHBondContact O-N 2.99Å; L104-L106 VanDerWaalsContact C-N 3.33Å; L104-F107 PolarHBondContact O-N 2.54Å |
| 105 | L | 83.8 | Confident | 80 | Confident | 43 Ų | 43 | 51.7 Ų | 51.7 | 23% | 0.225 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.4 | -35.6 | 176.9 | -61.7 | -176.7 | 0 | 0 | 0 | 112.1 | L7 A101 P102 F107 F108 V279 | L7-L105 HydrophobicContact CD1-CD2 3.65Å; L7-L105 HydrophobicContact CD2-CB 4.25Å; L7-L105 HydrophobicContact CD2-CD1 4.47Å; L7-L105 HydrophobicContact CD2-CD2 4.14Å; L7-L105 HydrophobicContact CG-CD2 4.35Å; A101-L105 PolarHBondContact O-N 3.35Å; P102-L105 WeakPolarHBondContact O-CA 3.42Å; P102-L105 VanDerWaalsContact O-CB 3.31Å; P102-L105 WeakPolarHBondContact O-CB 3.45Å; P102-L105 PolarHBondContact O-N 3.16Å; L105-F107 PolarHBondContact O-N 2.86Å; L105-F108 PolarHBondContact O-N 3.37Å; L105-V279 HydrophobicContact CD1-CB 4.32Å; L105-V279 HydrophobicContact CD1-CG1 3.64Å; L105-V279 HydrophobicContact CD1-CG2 3.67Å |
| 106 | L | 85.7 | Confident | 78 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.9 | -25.8 | -179.2 | -60.2 | 174.8 | 0 | 0 | 0 | 113.5 | P102 F103 L104 F108 I109 I283 F286 K296 M300 | P102-L106 WeakPolarHBondContact O-CG 3.47Å; P102-L106 PolarHBondContact O-N 3.33Å; P102-L106 VanDerWaalsContact O-N 3.13Å; F103-L106 PolarHBondContact O-N 3.03Å; L104-L106 VanDerWaalsContact C-N 3.33Å; L106-F108 PolarHBondContact O-N 3.49Å; L106-I109 HydrophobicContact CD2-CD1 3.66Å; L106-I109 PolarHBondContact O-N 3.4Å; L106-I109 VanDerWaalsContact O-N 3.13Å; L106-I283 HydrophobicContact CD2-CG1 4.25Å; L106-F286 HydrophobicContact CD1-CB 4.23Å; L106-F286 HydrophobicContact CD1-CD2 4.44Å; L106-F286 HydrophobicContact CD1-CG 4.44Å; L106-F286 HydrophobicContact CD2-CB 3.81Å; L106-F286 HydrophobicContact CD2-CD1 4.17Å; L106-F286 HydrophobicContact CD2-CG 3.98Å; L106-K296 WeakPolarHBondContact O-CE 3.47Å; L106-K296 PolarHBondContact O-NZ 3.46Å; L106-M300 HydrophobicContact CB-CE 4.09Å; L106-M300 HydrophobicContact CB-CG 4.18Å; L106-M300 HydrophobicContact CB-SD 4.35Å; L106-M300 HydrophobicContact CD1-CG 4.28Å |
| 107 | F | 85.5 | Confident | 76.2 | Confident | 118 Ų | 118 | 61.1 Ų | 61.1 | 52% | 0.518 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -34.7 | 173.4 | -87.5 | -77.9 | 0 | 0 | 0 | 112 | F103 L104 L105 K296 M300 | F103-F107 HydrophobicContact CD1-CE2 4.2Å; F103-F107 AromaticContact CE1-CE2 3.6Å; F103-F107 HydrophobicContact CE1-CE2 3.6Å; F103-F107 HydrophobicContact CE1-CZ 4.32Å; F103-F107 HydrophobicContact CZ-CE2 4.08Å; F103-F107 HydrophobicContact CZ-CZ 4.45Å; L104-F107 PolarHBondContact O-N 2.54Å; L105-F107 PolarHBondContact O-N 2.86Å; F107-K296 PolarHBondContact O-NZ 3.04Å; F107-M300 HydrophobicContact CD1-CE 4.15Å; F107-M300 HydrophobicContact CD2-CE 3.49Å; F107-M300 VanDerWaalsContact CD2-CE 3.49Å; F107-M300 HydrophobicContact CE1-CE 4.1Å; F107-M300 HydrophobicContact CE2-CE 3.43Å; F107-M300 VanDerWaalsContact CE2-CE 3.43Å; F107-M300 HydrophobicContact CG-CE 3.86Å; F107-M300 HydrophobicContact CZ-CE 3.74Å |
| 108 | F | 84.3 | Confident | 74.3 | Confident | 161 Ų | 161 | 60.9 Ų | 60.9 | 71% | 0.706 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -9.6 | -177.4 | -62.1 | -75.1 | 0 | 0 | 0 | 114.1 | L105 L106 P110 | L105-F108 PolarHBondContact O-N 3.37Å; L106-F108 PolarHBondContact O-N 3.49Å; F108-P110 WeakPolarHBondContact O-CD 3.5Å |
| 109 | I | 84.2 | Confident | 73.2 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.015 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -77.7 | 118.7 | 177.3 | -58.4 | -178.1 | 0 | 0 | 0 | 109.2 | L106 L111 L126 I283 F286 K296 | L106-I109 HydrophobicContact CD2-CD1 3.66Å; L106-I109 PolarHBondContact O-N 3.4Å; L106-I109 VanDerWaalsContact O-N 3.13Å; I109-L111 HydrophobicContact CG2-CB 4.39Å; I109-L111 HydrophobicContact CG2-CD1 4.13Å; I109-L111 HydrophobicContact CG2-CG 3.91Å; I109-L111 PolarHBondContact O-N 3.45Å; I109-L126 HydrophobicContact CG2-CD1 3.92Å; I109-I283 HydrophobicContact CD1-CG1 4.05Å; I109-I283 HydrophobicContact CD1-CG2 4.2Å; I109-F286 HydrophobicContact CB-CE1 4.25Å; I109-F286 HydrophobicContact CD1-CD1 4.35Å; I109-F286 HydrophobicContact CG2-CD1 4.48Å; I109-F286 HydrophobicContact CG2-CE1 4Å; I109-K296 PolarHBondContact O-NZ 2.88Å |
| 110 | P | 80.4 | Confident | 72.8 | Confident | 83 Ų | 83 | 66.2 Ų | 66.2 | 54% | 0.539 | 39% | 0.386 | S | S | . | . | trans | -82.7 | 57.6 | -175.5 | 35.7 | -36 | 0 | 0 | 0 | 111 | F108 N119 L122 | F108-P110 WeakPolarHBondContact O-CD 3.5Å; P110-N119 PolarHBondContact O-ND2 3.02Å; P110-L122 HydrophobicContact CG-CD2 3.91Å | ||
| 111 | L | 75.2 | Confident | 72.6 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 39% | 0.393 | C | S | . | . | trans | -98.3 | 118.2 | 168.9 | -75.7 | 179.1 | 0 | 0 | 0 | 109.5 | I109 G113 N119 L122 L123 L126 F286 K296 | I109-L111 HydrophobicContact CG2-CB 4.39Å; I109-L111 HydrophobicContact CG2-CD1 4.13Å; I109-L111 HydrophobicContact CG2-CG 3.91Å; I109-L111 PolarHBondContact O-N 3.45Å; L111-G113 PolarHBondContact O-N 2.79Å; L111-N119 HydrophobicContact CD2-CB 4.12Å; L111-L122 HydrophobicContact CD2-CB 4.28Å; L111-L122 HydrophobicContact CD2-CD2 3.87Å; L111-L122 HydrophobicContact CD2-CG 3.96Å; L111-L122 HydrophobicContact CG-CD2 4.28Å; L111-L123 HydrophobicContact CD1-CD1 4.1Å; L111-L123 HydrophobicContact CD2-CB 4.18Å; L111-L126 HydrophobicContact CD1-CD1 3.41Å; L111-L126 VanDerWaalsContact CD1-CD1 3.41Å; L111-L126 HydrophobicContact CD2-CD1 4.28Å; L111-L126 HydrophobicContact CG-CD1 3.9Å; L111-F286 HydrophobicContact CB-CE1 3.91Å; L111-F286 HydrophobicContact CB-CZ 4.19Å; L111-F286 HydrophobicContact CD1-CD1 4Å; L111-F286 HydrophobicContact CD1-CE1 3.53Å; L111-F286 HydrophobicContact CD1-CZ 4.43Å; L111-F286 HydrophobicContact CG-CE1 4.2Å; L111-K296 WeakPolarHBondContact O-CD 3.29Å | ||
| 112 | S | 63.1 | Low | 72.8 | Confident | 82 Ų | 82 | 67.7 Ų | 67.7 | 57% | 0.573 | 40% | 0.395 | S | S | * | . | trans | -86.9 | 104 | 167.7 | -61.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 113 | G | 58.8 | Low | 73.4 | Confident | 22 Ų | 22 | 68.5 Ų | 68.5 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | trans | -75.3 | 135.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L111 | L111-G113 PolarHBondContact O-N 2.79Š| ||
| 114 | G | 55.3 | Low | 73.7 | Confident | 47 Ų | 47 | 67 Ų | 67 | 49% | 0.485 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 147.8 | 158.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | V116 | G114-V116 PolarHBondContact O-N 2.89Š|
| 115 | A | 50.6 | Low | 74.1 | Confident | 111 Ų | 111 | 64.2 Ų | 64.2 | 92% | 0.917 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -69.4 | 19.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 116 | V | 50.9 | Low | 74.6 | Confident | 121 Ų | 121 | 62.7 Ų | 62.7 | 73% | 0.733 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -128.1 | 124 | -179.4 | -176.2 | 0 | 0 | 0 | 0 | 106.6 | G114 P118 | G114-V116 PolarHBondContact O-N 2.89Å; V116-P118 WeakPolarHBondContact O-CD 3.42Å |
| 117 | E | 55.4 | Low | 75 | Confident | 151 Ų | 151 | 62.9 Ų | 62.9 | 71% | 0.706 | 37% | 0.373 | S | S | * | . | trans | -96.8 | 79.3 | -158.6 | -59 | -165.6 | 135.9 | 0 | 0 | 115.9 | ||||
| 118 | P | 52.4 | Low | 75.4 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -91.4 | -23.4 | 166.1 | 29.3 | -28.8 | 0 | 0 | 0 | 113.4 | V116 | V116-P118 WeakPolarHBondContact O-CD 3.42Š|
| 119 | N | 67.7 | Low | 76 | Confident | 49 Ų | 49 | 50.2 Ų | 50.2 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | trans | -117.2 | 21.2 | -165.7 | -67.8 | -7.7 | 0 | 0 | 0 | 115.7 | P110 L111 P121 L122 L123 | P110-N119 PolarHBondContact O-ND2 3.02Å; L111-N119 HydrophobicContact CD2-CB 4.12Å; N119-P121 VanDerWaalsContact C-CD 3.42Å; N119-P121 VanDerWaalsContact C-N 3.33Å; N119-L122 PolarHBondContact O-N 3.4Å; N119-L122 VanDerWaalsContact O-N 3.15Å; N119-L123 PolarHBondContact O-N 2.96Å | ||
| 120 | Q | 78.6 | Confident | 76.5 | Confident | 69 Ų | 69 | 50 Ų | 50 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -51.3 | -41.7 | 179.8 | -161 | -164.3 | 15.2 | 0 | 0 | 113.7 | L122 L123 K124 | Q120-L122 PolarHBondContact O-N 3.48Å; Q120-L123 PolarHBondContact O-N 3.2Å; Q120-K124 HydrophobicContact CG-CG 4.47Å; Q120-K124 VanDerWaalsContact O-CG 3.3Å; Q120-K124 WeakPolarHBondContact O-CG 3.41Å; Q120-K124 PolarHBondContact O-N 3.24Å |
| 121 | P | 84.8 | Confident | 77.2 | Confident | 83 Ų | 83 | 46.1 Ų | 46.1 | 54% | 0.539 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 179.9 | -21.9 | 34.1 | 0 | 0 | 0 | 113.8 | N119 T125 | N119-P121 VanDerWaalsContact C-CD 3.42Å; N119-P121 VanDerWaalsContact C-N 3.33Å; P121-T125 WeakPolarHBondContact O-CB 3.22Å; P121-T125 PolarHBondContact O-N 3.08Å; P121-T125 VanDerWaalsContact O-N 3.11Å; P121-T125 PolarHBondContact O-OG1 3.34Å |
| 122 | L | 87.7 | Confident | 78.2 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 25% | 0.246 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.7 | -43 | 177 | 177.4 | 62.2 | 0 | 0 | 0 | 110.1 | P110 L111 N119 Q120 T125 L126 | P110-L122 HydrophobicContact CG-CD2 3.91Å; L111-L122 HydrophobicContact CD2-CB 4.28Å; L111-L122 HydrophobicContact CD2-CD2 3.87Å; L111-L122 HydrophobicContact CD2-CG 3.96Å; L111-L122 HydrophobicContact CG-CD2 4.28Å; N119-L122 PolarHBondContact O-N 3.4Å; N119-L122 VanDerWaalsContact O-N 3.15Å; Q120-L122 PolarHBondContact O-N 3.48Å; L122-T125 WeakPolarHBondContact O-CB 3.31Å; L122-T125 PolarHBondContact O-N 3.42Å; L122-L126 HydrophobicContact CD1-CD1 4.18Å; L122-L126 HydrophobicContact CD1-CG 4.25Å; L122-L126 HydrophobicContact CG-CD1 3.98Å; L122-L126 HydrophobicContact CG-CG 4.46Å; L122-L126 WeakPolarHBondContact O-CG 3.47Å; L122-L126 PolarHBondContact O-N 2.9Å |
| 123 | L | 89.6 | Confident | 79.8 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 177.9 | -176.8 | 58.3 | 0 | 0 | 0 | 111.3 | L111 N119 Q120 T125 L126 L127 A287 V290 Q291 | L111-L123 HydrophobicContact CD1-CD1 4.1Å; L111-L123 HydrophobicContact CD2-CB 4.18Å; N119-L123 PolarHBondContact O-N 2.96Å; Q120-L123 PolarHBondContact O-N 3.2Å; L123-T125 VanDerWaalsContact C-N 3.28Å; L123-T125 PolarHBondContact O-N 2.92Å; L123-L126 PolarHBondContact O-N 2.92Å; L123-L127 HydrophobicContact CG-CD1 4.24Å; L123-L127 WeakPolarHBondContact O-CB 3.45Å; L123-L127 WeakPolarHBondContact O-CG 3.26Å; L123-L127 PolarHBondContact O-N 3.33Å; L123-A287 HydrophobicContact CD1-CB 4.19Å; L123-A287 WeakPolarHBondContact CD1-O 3.21Å; L123-V290 HydrophobicContact CD1-CB 4.27Å; L123-V290 HydrophobicContact CD1-CG1 4.08Å; L123-V290 HydrophobicContact CD2-CG1 4.35Å; L123-Q291 HydrophobicContact CD2-CB 4.42Å |
| 124 | K | 90.8 | Very high | 81.5 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -34.6 | 176.2 | -64.3 | -79.5 | -168.3 | 169.9 | 0 | 112.6 | Q120 A128 E354 L355 D358 | Q120-K124 HydrophobicContact CG-CG 4.47Å; Q120-K124 VanDerWaalsContact O-CG 3.3Å; Q120-K124 WeakPolarHBondContact O-CG 3.41Å; Q120-K124 PolarHBondContact O-N 3.24Å; K124-A128 WeakPolarHBondContact O-CB 3.45Å; K124-A128 PolarHBondContact O-N 3.47Å; K124-E354 HydrophobicContact CD-CG 4.41Å; K124-E354 PolarHBondContact NZ-O 3.19Å; K124-E354 IonicContact NZ-OE1 2.65Å; K124-E354 PolarHBondContact NZ-OE1 3.39Å; K124-L355 HydrophobicContact CB-CD2 4.37Å; K124-L355 HydrophobicContact CD-CD2 4.38Å; K124-L355 VanDerWaalsContact O-CD2 3.27Å; K124-L355 WeakPolarHBondContact O-CD2 3.23Å; K124-D358 VanDerWaalsContact CE-OD2 3.23Å; K124-D358 WeakPolarHBondContact CE-OD2 3.18Å; K124-D358 IonicContact NZ-OD2 3.79Å |
| 125 | T | 92.6 | Very high | 83.5 | Confident | 43 Ų | 43 | 40 Ų | 40 | 26% | 0.264 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.5 | -42 | 175.3 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | P121 L122 L123 A128 F129 A370 | P121-T125 WeakPolarHBondContact O-CB 3.22Å; P121-T125 PolarHBondContact O-N 3.08Å; P121-T125 VanDerWaalsContact O-N 3.11Å; P121-T125 PolarHBondContact O-OG1 3.34Å; L122-T125 WeakPolarHBondContact O-CB 3.31Å; L122-T125 PolarHBondContact O-N 3.42Å; L123-T125 VanDerWaalsContact C-N 3.28Å; L123-T125 PolarHBondContact O-N 2.92Å; T125-A128 PolarHBondContact O-N 3.33Å; T125-F129 PolarHBondContact O-N 3.03Å; T125-A370 HydrophobicContact CG2-CB 3.66Å; T125-A370 WeakPolarHBondContact O-CB 3.33Å |
| 126 | L | 92.7 | Very high | 85.7 | Confident | 12 Ų | 12 | 34.9 Ų | 34.9 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.1 | -37 | 176.2 | -71 | 169.3 | 0 | 0 | 0 | 112.1 | I109 L111 L122 L123 A128 F129 A130 I283 A287 | I109-L126 HydrophobicContact CG2-CD1 3.92Å; L111-L126 HydrophobicContact CD1-CD1 3.41Å; L111-L126 VanDerWaalsContact CD1-CD1 3.41Å; L111-L126 HydrophobicContact CD2-CD1 4.28Å; L111-L126 HydrophobicContact CG-CD1 3.9Å; L122-L126 HydrophobicContact CD1-CD1 4.18Å; L122-L126 HydrophobicContact CD1-CG 4.25Å; L122-L126 HydrophobicContact CG-CD1 3.98Å; L122-L126 HydrophobicContact CG-CG 4.46Å; L122-L126 WeakPolarHBondContact O-CG 3.47Å; L122-L126 PolarHBondContact O-N 2.9Å; L123-L126 PolarHBondContact O-N 2.92Å; L126-A128 VanDerWaalsContact C-N 3.33Å; L126-F129 WeakPolarHBondContact O-CB 3.19Å; L126-F129 PolarHBondContact O-N 2.81Å; L126-A130 WeakPolarHBondContact O-CB 3.42Å; L126-A130 PolarHBondContact O-N 3.27Å; L126-I283 HydrophobicContact CD2-CG2 3.82Å; L126-A287 HydrophobicContact CB-CB 3.7Å |
| 127 | L | 93.7 | Very high | 87.7 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.1 | -40.2 | 171.2 | -74.5 | 172.2 | 0 | 0 | 0 | 111.5 | L123 A130 S131 A287 I288 Q291 I351 E354 L355 | L123-L127 HydrophobicContact CG-CD1 4.24Å; L123-L127 WeakPolarHBondContact O-CB 3.45Å; L123-L127 WeakPolarHBondContact O-CG 3.26Å; L123-L127 PolarHBondContact O-N 3.33Å; L127-A130 WeakPolarHBondContact O-CB 3.39Å; L127-A130 PolarHBondContact O-N 3.05Å; L127-S131 PolarHBondContact O-N 2.8Å; L127-A287 HydrophobicContact CD2-CB 4.12Å; L127-A287 HydrophobicContact CG-CB 4.33Å; L127-I288 HydrophobicContact CD2-CG1 3.85Å; L127-Q291 HydrophobicContact CD1-CB 4.18Å; L127-Q291 HydrophobicContact CD1-CG 3.96Å; L127-Q291 HydrophobicContact CD2-CB 4.25Å; L127-I351 HydrophobicContact CB-CG2 3.98Å; L127-I351 HydrophobicContact CD2-CG2 4.47Å; L127-I351 VanDerWaalsContact O-CG2 3.31Å; L127-I351 WeakPolarHBondContact O-CG2 3.24Å; L127-E354 HydrophobicContact CD1-CG 4.37Å; L127-L355 HydrophobicContact CB-CD2 4.07Å |
| 128 | A | 95.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.7 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | K124 T125 L126 S131 G132 L355 Q367 A370 M371 | K124-A128 WeakPolarHBondContact O-CB 3.45Å; K124-A128 PolarHBondContact O-N 3.47Å; T125-A128 PolarHBondContact O-N 3.33Å; L126-A128 VanDerWaalsContact C-N 3.33Å; A128-S131 PolarHBondContact O-N 3.15Å; A128-G132 PolarHBondContact O-N 2.88Å; A128-G132 VanDerWaalsContact O-N 3.08Å; A128-L355 HydrophobicContact CB-CD1 3.79Å; A128-L355 HydrophobicContact CB-CD2 4.13Å; A128-Q367 HydrophobicContact CB-CB 3.78Å; A128-Q367 HydrophobicContact CB-CG 4.23Å; A128-Q367 WeakPolarHBondContact CB-O 3.42Å; A128-A370 HydrophobicContact CB-CB 4.31Å; A128-M371 HydrophobicContact CB-CB 4.4Å; A128-M371 WeakPolarHBondContact O-CA 3.12Å; A128-M371 WeakPolarHBondContact O-CB 3.32Å |
| 129 | F | 95.5 | Very high | 91.7 | Very high | 13 Ų | 13 | 23.4 Ų | 23.4 | 6% | 0.057 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.5 | -46.7 | 170.3 | 175 | -98.2 | 0 | 0 | 0 | 111.9 | T125 L126 S131 G132 S133 P280 I283 A370 F373 | T125-F129 PolarHBondContact O-N 3.03Å; L126-F129 WeakPolarHBondContact O-CB 3.19Å; L126-F129 PolarHBondContact O-N 2.81Å; F129-S131 PolarHBondContact O-N 3.03Å; F129-G132 CarbonylContact O-C 3.59Å; F129-G132 WeakPolarHBondContact O-CA 3.44Å; F129-G132 PolarHBondContact O-N 3.45Å; F129-S133 PolarHBondContact O-N 3.4Å; F129-S133 PolarHBondContact O-OG 3.03Å; F129-P280 HydrophobicContact CE1-CB 4.12Å; F129-P280 HydrophobicContact CZ-CB 3.82Å; F129-P280 HydrophobicContact CZ-CG 4.39Å; F129-I283 HydrophobicContact CD1-CG2 3.92Å; F129-I283 HydrophobicContact CE1-CB 4.07Å; F129-I283 HydrophobicContact CE1-CG2 3.85Å; F129-A370 WeakPolarHBondContact CA-O 3.45Å; F129-A370 HydrophobicContact CB-CB 4.32Å; F129-F373 AromaticContact CD2-CD1 3.77Å; F129-F373 HydrophobicContact CD2-CD1 3.77Å; F129-F373 HydrophobicContact CD2-CE1 4.36Å; F129-F373 AromaticContact CE2-CD1 3.62Å; F129-F373 HydrophobicContact CE2-CD1 3.62Å; F129-F373 AromaticContact CE2-CE1 3.81Å; F129-F373 HydrophobicContact CE2-CE1 3.81Å |
| 130 | A | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.8 | -47.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L126 L127 G132 S133 L134 I288 I351 | L126-A130 WeakPolarHBondContact O-CB 3.42Å; L126-A130 PolarHBondContact O-N 3.27Å; L127-A130 WeakPolarHBondContact O-CB 3.39Å; L127-A130 PolarHBondContact O-N 3.05Å; A130-G132 PolarHBondContact O-N 2.88Å; A130-S133 WeakPolarHBondContact CA-OG 3.35Å; A130-S133 PolarHBondContact O-N 3.49Å; A130-S133 PolarHBondContact O-OG 3.46Å; A130-L134 WeakPolarHBondContact O-CB 3.29Å; A130-L134 VanDerWaalsContact O-CG 3.23Å; A130-L134 WeakPolarHBondContact O-CG 3.37Å; A130-L134 PolarHBondContact O-N 3.33Å; A130-I288 HydrophobicContact CB-CD1 4.34Å; A130-I351 HydrophobicContact CB-CD1 4.21Å |
| 131 | S | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.1 | -36 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | L127 A128 F129 L135 | L127-S131 PolarHBondContact O-N 2.8Å; A128-S131 PolarHBondContact O-N 3.15Å; F129-S131 PolarHBondContact O-N 3.03Å; S131-L135 VanDerWaalsContact O-CB 3.31Å; S131-L135 WeakPolarHBondContact O-CB 3.38Å; S131-L135 WeakPolarHBondContact O-CD1 3.23Å; S131-L135 WeakPolarHBondContact O-CG 3.48Å; S131-L135 PolarHBondContact O-N 2.87Å; S131-L135 VanDerWaalsContact O-N 3.15Å |
| 132 | G | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.1 | -45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A128 F129 A130 G136 M371 I375 | A128-G132 PolarHBondContact O-N 2.88Å; A128-G132 VanDerWaalsContact O-N 3.08Å; F129-G132 CarbonylContact O-C 3.59Å; F129-G132 WeakPolarHBondContact O-CA 3.44Å; F129-G132 PolarHBondContact O-N 3.45Å; A130-G132 PolarHBondContact O-N 2.88Å; G132-G136 PolarHBondContact O-N 3.02Å; G132-M371 WeakPolarHBondContact CA-O 3.4Å; G132-I375 VanDerWaalsContact O-CG1 3.25Å; G132-I375 WeakPolarHBondContact O-CG1 3.45Å |
| 133 | S | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.8 | -44.9 | 177.4 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | F129 A130 L135 G136 D137 M378 | F129-S133 PolarHBondContact O-N 3.4Å; F129-S133 PolarHBondContact O-OG 3.03Å; A130-S133 WeakPolarHBondContact CA-OG 3.35Å; A130-S133 PolarHBondContact O-N 3.49Å; A130-S133 PolarHBondContact O-OG 3.46Å; S133-L135 PolarHBondContact O-N 3.31Å; S133-G136 PolarHBondContact O-N 3.43Å; S133-D137 VanDerWaalsContact O-CB 3.3Å; S133-D137 WeakPolarHBondContact O-CB 3.07Å; S133-D137 PolarHBondContact O-N 2.88Å; S133-M378 WeakPolarHBondContact O-CG 3.41Å |
| 134 | L | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 177.9 | -70.2 | 173.2 | 0 | 0 | 0 | 112.7 | A130 A138 I288 F343 I346 A347 I351 | A130-L134 WeakPolarHBondContact O-CB 3.29Å; A130-L134 VanDerWaalsContact O-CG 3.23Å; A130-L134 WeakPolarHBondContact O-CG 3.37Å; A130-L134 PolarHBondContact O-N 3.33Å; L134-A138 WeakPolarHBondContact O-CB 3.48Å; L134-A138 PolarHBondContact O-N 3.32Å; L134-I288 HydrophobicContact CD1-CD1 4.02Å; L134-F343 HydrophobicContact CB-CB 4.36Å; L134-F343 HydrophobicContact CD2-CB 4.27Å; L134-F343 HydrophobicContact CD2-CD1 3.64Å; L134-F343 HydrophobicContact CD2-CD2 4.17Å; L134-F343 HydrophobicContact CD2-CE1 3.87Å; L134-F343 HydrophobicContact CD2-CE2 4.38Å; L134-F343 HydrophobicContact CD2-CG 3.8Å; L134-F343 HydrophobicContact CD2-CZ 4.23Å; L134-I346 HydrophobicContact CD1-CG2 4.03Å; L134-A347 HydrophobicContact CB-CB 4.27Å; L134-I351 HydrophobicContact CD1-CD1 3.92Å |
| 135 | L | 97 | Very high | 93.5 | Very high | 30 Ų | 30 | 21.6 Ų | 21.6 | 16% | 0.157 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70 | -40.7 | 175.6 | -71.6 | 172 | 0 | 0 | 0 | 111.6 | S131 S133 A138 F139 I344 A347 T348 | S131-L135 VanDerWaalsContact O-CB 3.31Å; S131-L135 WeakPolarHBondContact O-CB 3.38Å; S131-L135 WeakPolarHBondContact O-CD1 3.23Å; S131-L135 WeakPolarHBondContact O-CG 3.48Å; S131-L135 PolarHBondContact O-N 2.87Å; S131-L135 VanDerWaalsContact O-N 3.15Å; S133-L135 PolarHBondContact O-N 3.31Å; L135-A138 PolarHBondContact O-N 3.16Å; L135-F139 HydrophobicContact CD2-CD2 4.45Å; L135-F139 HydrophobicContact CD2-CE2 4.11Å; L135-F139 WeakPolarHBondContact O-CB 3.32Å; L135-F139 WeakPolarHBondContact O-CD2 3.11Å; L135-F139 PolarHBondContact O-N 3.36Å; L135-I344 HydrophobicContact CD2-CG1 4.35Å; L135-A347 HydrophobicContact CD1-CB 4.23Å; L135-A347 HydrophobicContact CD2-CB 3.88Å; L135-A347 HydrophobicContact CG-CB 3.67Å; L135-T348 HydrophobicContact CD2-CG2 4.19Å |
| 136 | G | 95.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.5 | -50.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G132 S133 F139 L140 | G132-G136 PolarHBondContact O-N 3.02Å; S133-G136 PolarHBondContact O-N 3.43Å; G136-F139 PolarHBondContact O-N 3.21Å; G136-L140 WeakPolarHBondContact O-CA 3.38Å; G136-L140 WeakPolarHBondContact O-CB 3.29Å; G136-L140 VanDerWaalsContact O-CG 3.26Å; G136-L140 WeakPolarHBondContact O-CG 3.22Å; G136-L140 PolarHBondContact O-N 3.46Å |
| 137 | D | 93.9 | Very high | 93 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -60.2 | -50 | 177 | 179.2 | 62.6 | 0 | 0 | 0 | 112.3 | S133 F139 H141 L142 H248 H281 F343 M378 | S133-D137 VanDerWaalsContact O-CB 3.3Å; S133-D137 WeakPolarHBondContact O-CB 3.07Å; S133-D137 PolarHBondContact O-N 2.88Å; D137-F139 PolarHBondContact O-N 2.93Å; D137-H141 CarbonylContact O-C 3.53Å; D137-H141 WeakPolarHBondContact O-CA 3.26Å; D137-H141 WeakPolarHBondContact O-CB 3.08Å; D137-H141 PolarHBondContact O-N 3.09Å; D137-H141 IonicContact OD1-CD2 2.74Å; D137-H141 PolarHBondContact OD1-CD2 3.11Å; D137-H141 IonicContact OD1-CG 3.74Å; D137-L142 PolarHBondContact O-N 2.86Å; D137-L142 VanDerWaalsContact OD2-CD1 3.24Å; D137-L142 WeakPolarHBondContact OD2-CD1 3.31Å; D137-L142 WeakPolarHBondContact OD2-CG 3.47Å; D137-H248 IonicContact OD1-CE1 3.48Å; D137-H248 IonicContact OD2-CE1 3.46Å; D137-H248 PolarHBondContact OD2-CE1 3.01Å; D137-H248 IonicContact OD2-ND1 3.19Å; D137-H281 WeakPolarHBondContact CB-CE1 3.32Å; D137-H281 WeakPolarHBondContact CB-NE2 3.25Å; D137-H281 VanDerWaalsContact CG-CE1 3.42Å; D137-H281 IonicContact OD1-NE2 3.43Å; D137-H281 PolarHBondContact OD1-NE2 2.81Å; D137-H281 IonicContact OD2-CE1 3.45Å; D137-H281 PolarHBondContact OD2-CE1 3.15Å; D137-H281 IonicContact OD2-NE2 2.79Å; D137-H281 PolarHBondContact OD2-NE2 3.22Å; D137-F343 VanDerWaalsContact OD2-CD2 3.3Å; D137-F343 WeakPolarHBondContact OD2-CD2 3.21Å; D137-F343 WeakPolarHBondContact OD2-CE2 3.33Å; D137-M378 HydrophobicContact CB-SD 4.02Å |
| 138 | A | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -57.6 | -46.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L134 L135 I143 A340 F343 I344 | L134-A138 WeakPolarHBondContact O-CB 3.48Å; L134-A138 PolarHBondContact O-N 3.32Å; L135-A138 PolarHBondContact O-N 3.16Å; A138-I143 WeakPolarHBondContact O-CB 3.3Å; A138-I143 WeakPolarHBondContact O-CD1 3.32Å; A138-I143 WeakPolarHBondContact O-CG1 3.23Å; A138-I143 PolarHBondContact O-N 2.8Å; A138-I143 VanDerWaalsContact O-N 3.09Å; A138-A340 HydrophobicContact CB-CB 4Å; A138-F343 HydrophobicContact CB-CB 4.37Å; A138-I344 HydrophobicContact CB-CD1 4.15Å; A138-I344 HydrophobicContact CB-CG1 3.76Å |
| 139 | F | 95.7 | Very high | 91.5 | Very high | 115 Ų | 115 | 30.9 Ų | 30.9 | 50% | 0.504 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -90.6 | -24.9 | -173.5 | -77.4 | -70.7 | 0 | 0 | 0 | 115.1 | L135 G136 D137 I143 P144 I344 | L135-F139 HydrophobicContact CD2-CD2 4.45Å; L135-F139 HydrophobicContact CD2-CE2 4.11Å; L135-F139 WeakPolarHBondContact O-CB 3.32Å; L135-F139 WeakPolarHBondContact O-CD2 3.11Å; L135-F139 PolarHBondContact O-N 3.36Å; G136-F139 PolarHBondContact O-N 3.21Å; D137-F139 PolarHBondContact O-N 2.93Å; F139-I143 HydrophobicContact CD1-CD1 4.11Å; F139-I143 HydrophobicContact CE1-CD1 4.27Å; F139-P144 VanDerWaalsContact O-CD 3.29Å; F139-P144 WeakPolarHBondContact O-CD 3.2Å; F139-P144 VanDerWaalsContact O-CG 3.22Å; F139-P144 WeakPolarHBondContact O-CG 3.36Å; F139-I344 HydrophobicContact CE1-CD1 4.26Å; F139-I344 HydrophobicContact CE2-CD1 3.86Å; F139-I344 HydrophobicContact CE2-CG1 3.87Å; F139-I344 HydrophobicContact CZ-CD1 3.69Å; F139-I344 HydrophobicContact CZ-CG1 4.19Å |
| 140 | L | 92.4 | Very high | 90.4 | Very high | 62 Ų | 62 | 32.1 Ų | 32.1 | 33% | 0.325 | 16% | 0.155 | S | C | . | . | I | π-helix | trans | -106.7 | -22.8 | -174.8 | -52.9 | 174.7 | 0 | 0 | 0 | 112.8 | G136 I375 M378 V379 S382 | G136-L140 WeakPolarHBondContact O-CA 3.38Å; G136-L140 WeakPolarHBondContact O-CB 3.29Å; G136-L140 VanDerWaalsContact O-CG 3.26Å; G136-L140 WeakPolarHBondContact O-CG 3.22Å; G136-L140 PolarHBondContact O-N 3.46Å; L140-I375 HydrophobicContact CD1-CG2 4.48Å; L140-M378 HydrophobicContact CD1-CB 4.43Å; L140-V379 HydrophobicContact CD1-CB 4.43Å; L140-V379 HydrophobicContact CD1-CG2 3.43Å; L140-V379 VanDerWaalsContact CD1-CG2 3.43Å; L140-S382 PolarHBondContact O-OG 3.24Å |
| 141 | H | 88.4 | Confident | 89.4 | Confident | 27 Ų | 27 | 34.9 Ų | 34.9 | 13% | 0.125 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -114.2 | -68.5 | -179.5 | 179.2 | 71.9 | 0 | 0 | 0 | 111.5 | D137 I143 P144 H145 E385 | D137-H141 CarbonylContact O-C 3.53Å; D137-H141 WeakPolarHBondContact O-CA 3.26Å; D137-H141 WeakPolarHBondContact O-CB 3.08Å; D137-H141 PolarHBondContact O-N 3.09Å; D137-H141 IonicContact OD1-CD2 2.74Å; D137-H141 PolarHBondContact OD1-CD2 3.11Å; D137-H141 IonicContact OD1-CG 3.74Å; H141-I143 PolarHBondContact O-N 2.86Å; H141-P144 WeakPolarHBondContact O-CD 3.39Å; H141-H145 WeakPolarHBondContact O-CB 3.41Å; H141-H145 PolarHBondContact O-N 2.93Å; H141-E385 IonicContact CE1-OE1 3.89Å; H141-E385 PolarHBondContact CE1-OE1 3.38Å; H141-E385 IonicContact CE1-OE2 3.48Å; H141-E385 PolarHBondContact CE1-OE2 3.39Å; H141-E385 VanDerWaalsContact CE1-OE2 3.24Å; H141-E385 IonicContact CG-OE2 3.8Å; H141-E385 IonicContact ND1-OE1 3.44Å; H141-E385 PolarHBondContact ND1-OE1 3.42Å; H141-E385 IonicContact ND1-OE2 3.7Å; H141-E385 PolarHBondContact ND1-OE2 3.18Å; H141-E385 IonicContact NE2-OE1 3.48Å |
| 142 | L | 91 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -62.8 | -50.6 | -169.2 | -63 | 178.5 | 0 | 0 | 0 | 113.8 | D137 A146 L336 T339 A340 F343 | D137-L142 PolarHBondContact O-N 2.86Å; D137-L142 VanDerWaalsContact OD2-CD1 3.24Å; D137-L142 WeakPolarHBondContact OD2-CD1 3.31Å; D137-L142 WeakPolarHBondContact OD2-CG 3.47Å; L142-A146 WeakPolarHBondContact O-CB 3.29Å; L142-A146 PolarHBondContact O-N 2.78Å; L142-A146 VanDerWaalsContact O-N 3.1Å; L142-L336 HydrophobicContact CD2-CD2 3.67Å; L142-T339 HydrophobicContact CD1-CG2 4.19Å; L142-A340 HydrophobicContact CB-CB 3.73Å; L142-A340 HydrophobicContact CD1-CB 3.8Å; L142-A340 HydrophobicContact CG-CB 4.44Å; L142-F343 HydrophobicContact CD1-CD2 3.81Å; L142-F343 HydrophobicContact CD1-CE2 4.07Å |
| 143 | I | 92.4 | Very high | 85.6 | Confident | 24 Ų | 24 | 41.4 Ų | 41.4 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.8 | -51.2 | -178.8 | -70 | 167.5 | 0 | 0 | 0 | 111.2 | A138 F139 H141 H145 A146 Y147 V178 T182 A340 I344 | A138-I143 WeakPolarHBondContact O-CB 3.3Å; A138-I143 WeakPolarHBondContact O-CD1 3.32Å; A138-I143 WeakPolarHBondContact O-CG1 3.23Å; A138-I143 PolarHBondContact O-N 2.8Å; A138-I143 VanDerWaalsContact O-N 3.09Å; F139-I143 HydrophobicContact CD1-CD1 4.11Å; F139-I143 HydrophobicContact CE1-CD1 4.27Å; H141-I143 PolarHBondContact O-N 2.86Å; I143-H145 VanDerWaalsContact C-N 3.35Å; I143-H145 PolarHBondContact O-N 3.18Å; I143-A146 WeakPolarHBondContact O-CB 3.37Å; I143-A146 PolarHBondContact O-N 3.49Å; I143-Y147 HydrophobicContact CG2-CD2 3.85Å; I143-Y147 HydrophobicContact CG2-CE2 3.58Å; I143-Y147 VanDerWaalsContact O-CD2 3.29Å; I143-Y147 WeakPolarHBondContact O-CD2 3.44Å; I143-Y147 PolarHBondContact O-N 3.47Å; I143-Y147 VanDerWaalsContact O-N 3.16Å; I143-V178 HydrophobicContact CG2-CG1 4.14Å; I143-T182 HydrophobicContact CD1-CG2 4.11Å; I143-A340 HydrophobicContact CD1-CB 4.19Å; I143-A340 HydrophobicContact CG1-CB 3.78Å; I143-I344 HydrophobicContact CD1-CD1 4.22Å |
| 144 | P | 88.9 | Confident | 83.5 | Confident | 43 Ų | 43 | 45.5 Ų | 45.5 | 28% | 0.279 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.4 | -44 | 176.4 | -28.5 | 38.2 | 0 | 0 | 0 | 113.3 | F139 H141 A146 Y147 M148 | F139-P144 VanDerWaalsContact O-CD 3.29Å; F139-P144 WeakPolarHBondContact O-CD 3.2Å; F139-P144 VanDerWaalsContact O-CG 3.22Å; F139-P144 WeakPolarHBondContact O-CG 3.36Å; H141-P144 WeakPolarHBondContact O-CD 3.39Å; P144-A146 VanDerWaalsContact C-N 3.3Å; P144-A146 PolarHBondContact O-N 3Å; P144-Y147 PolarHBondContact O-N 3.22Å; P144-Y147 VanDerWaalsContact O-N 3.1Å; P144-M148 WeakPolarHBondContact O-CG 3.06Å; P144-M148 PolarHBondContact O-N 3.46Å |
| 145 | H | 84.7 | Confident | 81.3 | Confident | 77 Ų | 77 | 53.1 Ų | 53.1 | 36% | 0.356 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 178.5 | -167 | -80.8 | 0 | 0 | 0 | 111.9 | H141 I143 Y147 M148 A149 S331 | H141-H145 WeakPolarHBondContact O-CB 3.41Å; H141-H145 PolarHBondContact O-N 2.93Å; I143-H145 VanDerWaalsContact C-N 3.35Å; I143-H145 PolarHBondContact O-N 3.18Å; H145-Y147 VanDerWaalsContact C-N 3.32Å; H145-Y147 PolarHBondContact O-N 2.9Å; H145-M148 PolarHBondContact O-N 3.35Å; H145-A149 WeakPolarHBondContact O-CB 3.47Å; H145-A149 PolarHBondContact O-N 3.49Å; H145-S331 PolarHBondContact CE1-OG 2.9Å |
| 146 | A | 87.5 | Confident | 79 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.1 | -31.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L142 I143 P144 R150 V178 L336 P337 | L142-A146 WeakPolarHBondContact O-CB 3.29Å; L142-A146 PolarHBondContact O-N 2.78Å; L142-A146 VanDerWaalsContact O-N 3.1Å; I143-A146 WeakPolarHBondContact O-CB 3.37Å; I143-A146 PolarHBondContact O-N 3.49Å; P144-A146 VanDerWaalsContact C-N 3.3Å; P144-A146 PolarHBondContact O-N 3Å; A146-R150 WeakPolarHBondContact O-CG 3.45Å; A146-R150 PolarHBondContact O-NH1 3.31Å; A146-V178 HydrophobicContact CB-CG1 4Å; A146-V178 HydrophobicContact CB-CG2 4.24Å; A146-L336 HydrophobicContact CB-CB 4.35Å; A146-P337 HydrophobicContact CB-CB 4.45Å; A146-P337 HydrophobicContact CB-CG 4.13Å |
| 147 | Y | 87.8 | Confident | 76.9 | Confident | 104 Ų | 104 | 67.2 Ų | 67.2 | 41% | 0.408 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -74.3 | -45.3 | 171.7 | -80.2 | -68 | 0 | 0 | 0 | 111.8 | I143 P144 H145 A149 R150 A151 V178 | I143-Y147 HydrophobicContact CG2-CD2 3.85Å; I143-Y147 HydrophobicContact CG2-CE2 3.58Å; I143-Y147 VanDerWaalsContact O-CD2 3.29Å; I143-Y147 WeakPolarHBondContact O-CD2 3.44Å; I143-Y147 PolarHBondContact O-N 3.47Å; I143-Y147 VanDerWaalsContact O-N 3.16Å; P144-Y147 PolarHBondContact O-N 3.22Å; P144-Y147 VanDerWaalsContact O-N 3.1Å; H145-Y147 VanDerWaalsContact C-N 3.32Å; H145-Y147 PolarHBondContact O-N 2.9Å; Y147-A149 PolarHBondContact O-N 3.34Å; Y147-R150 PolarHBondContact O-N 2.91Å; Y147-A151 PolarHBondContact O-N 3.37Å; Y147-V178 HydrophobicContact CD1-CB 4.11Å; Y147-V178 HydrophobicContact CD1-CG2 3.7Å; Y147-V178 HydrophobicContact CD2-CB 4.35Å; Y147-V178 HydrophobicContact CD2-CG1 3.87Å; Y147-V178 HydrophobicContact CD2-CG2 4.42Å; Y147-V178 HydrophobicContact CE1-CB 3.68Å; Y147-V178 HydrophobicContact CE1-CG1 4.23Å; Y147-V178 HydrophobicContact CE1-CG2 3.75Å; Y147-V178 HydrophobicContact CE2-CB 3.96Å; Y147-V178 HydrophobicContact CE2-CG1 3.57Å; Y147-V178 HydrophobicContact CE2-CG2 4.47Å; Y147-V178 HydrophobicContact CG-CB 4.42Å; Y147-V178 HydrophobicContact CG-CG1 4.33Å; Y147-V178 HydrophobicContact CG-CG2 4.04Å |
| 148 | M | 81.3 | Confident | 74.4 | Confident | 134 Ų | 134 | 75.2 Ų | 75.2 | 66% | 0.66 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | -178.7 | -72.3 | 178.2 | 66.9 | 0 | 0 | 112.2 | P144 H145 R150 A151 G152 | P144-M148 WeakPolarHBondContact O-CG 3.06Å; P144-M148 PolarHBondContact O-N 3.46Å; H145-M148 PolarHBondContact O-N 3.35Å; M148-R150 VanDerWaalsContact C-N 3.32Å; M148-R150 PolarHBondContact O-N 3.2Å; M148-A151 PolarHBondContact O-N 2.89Å; M148-G152 PolarHBondContact O-N 3.34Å |
| 149 | A | 75.1 | Confident | 72 | Confident | 17 Ų | 17 | 80 Ų | 80 | 14% | 0.14 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -55.1 | -50.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | H145 Y147 A151 G152 S331 H332 | H145-A149 WeakPolarHBondContact O-CB 3.47Å; H145-A149 PolarHBondContact O-N 3.49Å; Y147-A149 PolarHBondContact O-N 3.34Å; A149-A151 PolarHBondContact O-N 3.5Å; A149-G152 PolarHBondContact O-N 3.26Å; A149-S331 WeakPolarHBondContact CB-O 3.46Å; A149-H332 PolarHBondContact O-CE1 2.94Å; A149-H332 PolarHBondContact O-NE2 3.29Å |
| 150 | R | 73.7 | Confident | 69.8 | Low | 39 Ų | 39 | 84 Ų | 84 | 15% | 0.147 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66 | -37.2 | -179.3 | -67.3 | -176.3 | 175.5 | 58.2 | 6.3 | 113.7 | A146 Y147 M148 G152 H153 D175 S177 H332 | A146-R150 WeakPolarHBondContact O-CG 3.45Å; A146-R150 PolarHBondContact O-NH1 3.31Å; Y147-R150 PolarHBondContact O-N 2.91Å; M148-R150 VanDerWaalsContact C-N 3.32Å; M148-R150 PolarHBondContact O-N 3.2Å; R150-G152 VanDerWaalsContact C-N 3.26Å; R150-G152 PolarHBondContact O-N 3.39Å; R150-H153 PolarHBondContact O-N 3.43Å; R150-D175 WeakPolarHBondContact CD-OD2 3.5Å; R150-D175 IonicContact NE-OD2 3.67Å; R150-S177 PolarHBondContact NE-OG 2.8Å; R150-H332 PolarHBondContact NH2-O 3.32Å |
| 151 | A | 71.8 | Confident | 67.6 | Low | 57 Ų | 57 | 84.3 Ų | 84.3 | 47% | 0.471 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.7 | -26.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y147 M148 A149 H153 S154 | Y147-A151 PolarHBondContact O-N 3.37Å; M148-A151 PolarHBondContact O-N 2.89Å; A149-A151 PolarHBondContact O-N 3.5Å; A151-H153 PolarHBondContact O-N 2.83Å; A151-S154 PolarHBondContact O-OG 3.46Å; A151-S154 VanDerWaalsContact O-OG 3.09Å |
| 152 | G | 60.7 | Low | 65.4 | Low | 47 Ų | 47 | 91.1 Ų | 91.1 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | M148 A149 R150 | M148-G152 PolarHBondContact O-N 3.34Å; A149-G152 PolarHBondContact O-N 3.26Å; R150-G152 VanDerWaalsContact C-N 3.26Å; R150-G152 PolarHBondContact O-N 3.39Å |
| 153 | H | 53.6 | Low | 63.1 | Low | 90 Ų | 90 | 95.6 Ų | 95.6 | 42% | 0.417 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -10.7 | -177.5 | -84.5 | -13.9 | 0 | 0 | 0 | 115.2 | R150 A151 H155 E328 H332 | R150-H153 PolarHBondContact O-N 3.43Å; A151-H153 PolarHBondContact O-N 2.83Å; H153-H155 PolarHBondContact O-N 3.19Å; H153-E328 IonicContact CE1-OE2 3.64Å; H153-E328 IonicContact NE2-OE2 3.91Å; H153-H332 AromaticContact CD2-CE1 3.13Å; H153-H332 PolarHBondContact CD2-CE1 2.88Å; H153-H332 AromaticContact CD2-ND1 3.77Å; H153-H332 AromaticContact CD2-NE2 3.74Å; H153-H332 AromaticContact CG-CE1 3.69Å; H153-H332 AromaticContact NE2-CE1 3.73Å; H153-H332 AromaticContact NE2-NE2 3.88Å |
| 154 | S | 50.4 | Low | 61 | Low | 87 Ų | 87 | 102.1 Ų | 102.1 | 61% | 0.608 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -8.8 | 176 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | A151 | A151-S154 PolarHBondContact O-OG 3.46Å; A151-S154 VanDerWaalsContact O-OG 3.09Å |
| 155 | H | 50.2 | Low | 58.8 | Low | 159 Ų | 159 | 109.8 Ų | 109.8 | 74% | 0.736 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 5 | -172.5 | -68.2 | -60.7 | 0 | 0 | 0 | 116.1 | H153 | H153-H155 PolarHBondContact O-N 3.19Š|
| 156 | H | 49.4 | Very low | 57 | Low | 161 Ų | 161 | 112.6 Ų | 112.6 | 75% | 0.745 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -114.2 | 10.2 | -174.3 | -99.2 | -69.3 | 0 | 0 | 0 | 117 | ||
| 157 | H | 49.9 | Very low | 54.7 | Low | 167 Ų | 167 | 120 Ų | 120 | 77% | 0.773 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -113 | 84.1 | 167.2 | -65 | -68.8 | 0 | 0 | 0 | 109.3 | ||
| 158 | D | 43.4 | Very low | 52.7 | Low | 169 Ų | 169 | 122.3 Ų | 122.3 | 90% | 0.904 | 66% | 0.664 | S | S | * | * | trans | 173.3 | 86.3 | 151.5 | -86.2 | -25.1 | 0 | 0 | 0 | 111.3 | ||||
| 159 | S | 44.6 | Very low | 50.7 | Low | 101 Ų | 101 | 122.7 Ų | 122.7 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | trans | -161.6 | 74.4 | 155.1 | 65.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 160 | H | 49.5 | Very low | 49.3 | Very low | 199 Ų | 199 | 127.7 Ų | 127.7 | 92% | 0.921 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -146.7 | 93.7 | 143.1 | -83 | -58.4 | 0 | 0 | 0 | 110.2 | ||
| 161 | G | 44.8 | Very low | 48 | Very low | 68 Ų | 68 | 132.8 Ų | 132.8 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | 14.1 | 114.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 162 | L | 42.3 | Very low | 46.8 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | -164.8 | 140.3 | 106.7 | -125.1 | 78 | 0 | 0 | 0 | 109.5 | H164 | L162-H164 PolarHBondContact O-N 2.89Š| |||
| 163 | A | 42.6 | Very low | 46.3 | Very low | 95 Ų | 95 | 137 Ų | 137 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -60 | 117.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 164 | H | 48.7 | Very low | 46.5 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | trans | -141.4 | 120.5 | 153.6 | -79.2 | -68.9 | 0 | 0 | 0 | 110.3 | L162 H166 | L162-H164 PolarHBondContact O-N 2.89Å; H164-H166 PolarHBondContact O-N 2.95Å | ||
| 165 | H | 41.8 | Very low | 47.7 | Very low | 203 Ų | 203 | 140.4 Ų | 140.4 | 94% | 0.94 | 75% | 0.752 | S | S | * | * | trans | -60.3 | 102.2 | 168 | -106.9 | -90.7 | 0 | 0 | 0 | 109.4 | ||||
| 166 | H | 48.7 | Very low | 49.4 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 63% | 0.63 | 75% | 0.745 | S | S | * | * | trans | -124.7 | 115.9 | 161.5 | -74.4 | -64.9 | 0 | 0 | 0 | 109.3 | H164 H168 | H164-H166 PolarHBondContact O-N 2.95Å; H166-H168 VanDerWaalsContact C-N 3.27Å; H166-H168 PolarHBondContact O-N 3.4Å | ||
| 167 | N | 38 | Very low | 51.3 | Low | 156 Ų | 156 | 132.3 Ų | 132.3 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | trans | -65.8 | 87.2 | 169.5 | -167.6 | 42.5 | 0 | 0 | 0 | 107.9 | N169 | N167-N169 PolarHBondContact O-N 3.32Š| ||
| 168 | H | 45.8 | Very low | 53.3 | Low | 153 Ų | 153 | 124.4 Ų | 124.4 | 71% | 0.708 | 69% | 0.686 | S | S | * | * | trans | -82.4 | 104.2 | 170 | -76.9 | -76.8 | 0 | 0 | 0 | 107.7 | H166 V170 | H166-H168 VanDerWaalsContact C-N 3.27Å; H166-H168 PolarHBondContact O-N 3.4Å; H168-V170 PolarHBondContact O-N 2.92Å | ||
| 169 | N | 40.4 | Very low | 55.6 | Low | 142 Ų | 142 | 117.3 Ų | 117.3 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | trans | -51.1 | 109.8 | 153.2 | -72.7 | -25.9 | 0 | 0 | 0 | 106.1 | N167 D171 | N167-N169 PolarHBondContact O-N 3.32Å; N169-D171 PolarHBondContact O-N 3.32Å | ||
| 170 | V | 46 | Very low | 58 | Low | 121 Ų | 121 | 116.6 Ų | 116.6 | 73% | 0.733 | 64% | 0.64 | S | S | * | * | trans | -63.3 | 97.1 | 164.4 | 179.6 | 0 | 0 | 0 | 0 | 104.1 | H168 D172 | H168-V170 PolarHBondContact O-N 2.92Å; V170-D172 VanDerWaalsContact C-N 3.26Å; V170-D172 PolarHBondContact O-N 3.49Å | ||
| 171 | D | 44.8 | Very low | 60.1 | Low | 147 Ų | 147 | 107.8 Ų | 107.8 | 79% | 0.786 | 60% | 0.601 | S | S | * | * | trans | -61.8 | 102.7 | 162.3 | -156.1 | 19.7 | 0 | 0 | 0 | 103.5 | N169 G173 | N169-D171 PolarHBondContact O-N 3.32Å; D171-G173 PolarHBondContact O-N 3.04Å | ||
| 172 | D | 46.9 | Very low | 62.5 | Low | 138 Ų | 138 | 105.2 Ų | 105.2 | 74% | 0.738 | 57% | 0.572 | S | S | * | * | trans | -62.4 | 68.6 | 162.4 | -82.2 | -31.8 | 0 | 0 | 0 | 106.4 | V170 H174 | V170-D172 VanDerWaalsContact C-N 3.26Å; V170-D172 PolarHBondContact O-N 3.49Å; D172-H174 VanDerWaalsContact C-N 3.29Å; D172-H174 PolarHBondContact O-N 3.46Å | ||
| 173 | G | 50 | Low | 65.1 | Low | 55 Ų | 55 | 102.2 Ų | 102.2 | 57% | 0.567 | 56% | 0.556 | S | S | * | * | trans | -66.2 | 96.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 105.6 | D171 D175 | D171-G173 PolarHBondContact O-N 3.04Å; G173-D175 PolarHBondContact O-N 3.09Å | ||
| 174 | H | 59 | Low | 67.7 | Low | 181 Ų | 181 | 103 Ų | 103 | 84% | 0.838 | 55% | 0.545 | S | S | * | . | trans | -44.5 | 107.9 | 172.7 | -77.2 | -70.1 | 0 | 0 | 0 | 108.1 | D172 L176 | D172-H174 VanDerWaalsContact C-N 3.29Å; D172-H174 PolarHBondContact O-N 3.46Å; H174-L176 PolarHBondContact O-N 2.69Å | ||
| 175 | D | 75.4 | Confident | 69.9 | Low | 67 Ų | 67 | 95.3 Ų | 95.3 | 36% | 0.358 | 51% | 0.509 | S | S | . | . | trans | -68.6 | 86.4 | -180 | -174.5 | -5 | 0 | 0 | 0 | 108.5 | R150 G173 S177 | R150-D175 WeakPolarHBondContact CD-OD2 3.5Å; R150-D175 IonicContact NE-OD2 3.67Å; G173-D175 PolarHBondContact O-N 3.09Å; D175-S177 PolarHBondContact O-N 2.98Å; D175-S177 WeakPolarHBondContact OD1-CB 3.46Å; D175-S177 PolarHBondContact OD1-N 2.84Å; D175-S177 PolarHBondContact OD1-OG 2.97Å | ||
| 176 | L | 86.2 | Confident | 72.5 | Confident | 112 Ų | 112 | 87.9 Ų | 87.9 | 59% | 0.586 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -74.7 | -5.6 | -177.5 | -170.8 | 60.6 | 0 | 0 | 0 | 110.8 | H174 V178 G179 I180 | H174-L176 PolarHBondContact O-N 2.69Å; L176-V178 VanDerWaalsContact C-N 3.3Å; L176-V178 PolarHBondContact O-N 3.42Å; L176-G179 PolarHBondContact O-N 3.25Å; L176-I180 HydrophobicContact CB-CD1 4.21Å; L176-I180 HydrophobicContact CD2-CD1 3.86Å; L176-I180 HydrophobicContact CD2-CG1 4.27Å; L176-I180 HydrophobicContact CG-CD1 3.7Å; L176-I180 HydrophobicContact CG-CG1 3.89Å; L176-I180 WeakPolarHBondContact O-CB 3.39Å; L176-I180 WeakPolarHBondContact O-CG1 3.48Å; L176-I180 PolarHBondContact O-N 3.35Å |
| 177 | S | 88.4 | Confident | 74.8 | Confident | 38 Ų | 38 | 84.6 Ų | 84.6 | 27% | 0.266 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.1 | -37 | -175.8 | 72.6 | 0 | 0 | 0 | 0 | 112.2 | R150 D175 S181 | R150-S177 PolarHBondContact NE-OG 2.8Å; D175-S177 PolarHBondContact O-N 2.98Å; D175-S177 WeakPolarHBondContact OD1-CB 3.46Å; D175-S177 PolarHBondContact OD1-N 2.84Å; D175-S177 PolarHBondContact OD1-OG 2.97Å; S177-S181 VanDerWaalsContact O-CB 3.27Å; S177-S181 WeakPolarHBondContact O-CB 3.44Å; S177-S181 PolarHBondContact O-N 2.71Å; S177-S181 PolarHBondContact O-OG 3.26Å |
| 178 | V | 91.1 | Very high | 77.5 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64.5 | -52.1 | 175.3 | -178 | 0 | 0 | 0 | 0 | 109.6 | I143 A146 Y147 L176 I180 S181 T182 P337 | I143-V178 HydrophobicContact CG2-CG1 4.14Å; A146-V178 HydrophobicContact CB-CG1 4Å; A146-V178 HydrophobicContact CB-CG2 4.24Å; Y147-V178 HydrophobicContact CD1-CB 4.11Å; Y147-V178 HydrophobicContact CD1-CG2 3.7Å; Y147-V178 HydrophobicContact CD2-CB 4.35Å; Y147-V178 HydrophobicContact CD2-CG1 3.87Å; Y147-V178 HydrophobicContact CD2-CG2 4.42Å; Y147-V178 HydrophobicContact CE1-CB 3.68Å; Y147-V178 HydrophobicContact CE1-CG1 4.23Å; Y147-V178 HydrophobicContact CE1-CG2 3.75Å; Y147-V178 HydrophobicContact CE2-CB 3.96Å; Y147-V178 HydrophobicContact CE2-CG1 3.57Å; Y147-V178 HydrophobicContact CE2-CG2 4.47Å; Y147-V178 HydrophobicContact CG-CB 4.42Å; Y147-V178 HydrophobicContact CG-CG1 4.33Å; Y147-V178 HydrophobicContact CG-CG2 4.04Å; L176-V178 VanDerWaalsContact C-N 3.3Å; L176-V178 PolarHBondContact O-N 3.42Å; V178-I180 PolarHBondContact O-N 2.72Å; V178-S181 PolarHBondContact O-N 3.06Å; V178-T182 PolarHBondContact O-N 3.45Å; V178-T182 PolarHBondContact O-OG1 2.94Å; V178-P337 HydrophobicContact CG1-CB 3.91Å; V178-P337 HydrophobicContact CG1-CG 4.41Å; V178-P337 WeakPolarHBondContact O-CB 3.39Å |
| 179 | G | 93.5 | Very high | 79.8 | Confident | 21 Ų | 21 | 72.1 Ų | 72.1 | 22% | 0.216 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L176 T182 L183 | L176-G179 PolarHBondContact O-N 3.25Å; G179-T182 PolarHBondContact O-N 3.39Å; G179-L183 WeakPolarHBondContact O-CG 3.33Å; G179-L183 PolarHBondContact O-N 3.29Å |
| 180 | I | 94.1 | Very high | 82.4 | Confident | 85 Ų | 85 | 69 Ų | 69 | 44% | 0.436 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 174.8 | -75.8 | 159.6 | 0 | 0 | 0 | 110.4 | L176 V178 T182 L183 M184 | L176-I180 HydrophobicContact CB-CD1 4.21Å; L176-I180 HydrophobicContact CD2-CD1 3.86Å; L176-I180 HydrophobicContact CD2-CG1 4.27Å; L176-I180 HydrophobicContact CG-CD1 3.7Å; L176-I180 HydrophobicContact CG-CG1 3.89Å; L176-I180 WeakPolarHBondContact O-CB 3.39Å; L176-I180 WeakPolarHBondContact O-CG1 3.48Å; L176-I180 PolarHBondContact O-N 3.35Å; V178-I180 PolarHBondContact O-N 2.72Å; I180-T182 VanDerWaalsContact C-N 3.33Å; I180-T182 PolarHBondContact O-N 2.92Å; I180-L183 PolarHBondContact O-N 3.17Å; I180-M184 HydrophobicContact CG2-CG 4.23Å; I180-M184 WeakPolarHBondContact O-CB 3.32Å; I180-M184 VanDerWaalsContact O-CG 3.24Å; I180-M184 WeakPolarHBondContact O-CG 3.27Å; I180-M184 PolarHBondContact O-N 2.9Å |
| 181 | S | 93.7 | Very high | 84.8 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 11% | 0.105 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.4 | -39 | -179.5 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | S177 V178 M184 G185 P337 F338 | S177-S181 VanDerWaalsContact O-CB 3.27Å; S177-S181 WeakPolarHBondContact O-CB 3.44Å; S177-S181 PolarHBondContact O-N 2.71Å; S177-S181 PolarHBondContact O-OG 3.26Å; V178-S181 PolarHBondContact O-N 3.06Å; S181-M184 WeakPolarHBondContact O-CB 2.8Å; S181-M184 PolarHBondContact O-N 3.24Å; S181-G185 PolarHBondContact O-N 2.93Å; S181-P337 VanDerWaalsContact CB-CG 3.43Å; S181-F338 WeakPolarHBondContact O-CA 3.33Å |
| 182 | T | 95.9 | Very high | 87 | Confident | 13 Ų | 13 | 64.2 Ų | 64.2 | 8% | 0.08 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 172.2 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | I143 V178 G179 I180 M184 G185 I186 P337 G341 I344 | I143-T182 HydrophobicContact CD1-CG2 4.11Å; V178-T182 PolarHBondContact O-N 3.45Å; V178-T182 PolarHBondContact O-OG1 2.94Å; G179-T182 PolarHBondContact O-N 3.39Å; I180-T182 VanDerWaalsContact C-N 3.33Å; I180-T182 PolarHBondContact O-N 2.92Å; T182-M184 VanDerWaalsContact C-N 3.28Å; T182-M184 PolarHBondContact O-N 2.8Å; T182-G185 PolarHBondContact O-N 3Å; T182-G185 VanDerWaalsContact O-N 3.16Å; T182-I186 HydrophobicContact CG2-CD1 4.36Å; T182-I186 WeakPolarHBondContact O-CG1 3.48Å; T182-I186 PolarHBondContact O-N 3.16Å; T182-P337 WeakPolarHBondContact CA-O 3.45Å; T182-P337 WeakPolarHBondContact OG1-CB 3.28Å; T182-P337 PolarHBondContact OG1-O 3.48Å; T182-G341 WeakPolarHBondContact O-CA 3.5Å; T182-I344 HydrophobicContact CG2-CD1 4.04Å |
| 183 | L | 96.9 | Very high | 89.1 | Confident | 108 Ų | 108 | 58.1 Ų | 58.1 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.1 | -35.8 | 174.9 | -71.8 | 172.4 | 0 | 0 | 0 | 112.2 | G179 I180 I186 T187 | G179-L183 WeakPolarHBondContact O-CG 3.33Å; G179-L183 PolarHBondContact O-N 3.29Å; I180-L183 PolarHBondContact O-N 3.17Å; L183-I186 PolarHBondContact O-N 2.82Å; L183-T187 VanDerWaalsContact O-CB 3.22Å; L183-T187 WeakPolarHBondContact O-CB 3.24Å; L183-T187 PolarHBondContact O-N 3.09Å; L183-T187 PolarHBondContact O-OG1 2.91Å |
| 184 | M | 95.8 | Very high | 91 | Very high | 111 Ų | 111 | 61.6 Ų | 61.6 | 55% | 0.547 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 173.9 | -75.3 | -64 | -65.5 | 0 | 0 | 111.3 | I180 S181 T182 T187 A188 F338 | I180-M184 HydrophobicContact CG2-CG 4.23Å; I180-M184 WeakPolarHBondContact O-CB 3.32Å; I180-M184 VanDerWaalsContact O-CG 3.24Å; I180-M184 WeakPolarHBondContact O-CG 3.27Å; I180-M184 PolarHBondContact O-N 2.9Å; S181-M184 WeakPolarHBondContact O-CB 2.8Å; S181-M184 PolarHBondContact O-N 3.24Å; T182-M184 VanDerWaalsContact C-N 3.28Å; T182-M184 PolarHBondContact O-N 2.8Å; M184-T187 PolarHBondContact O-N 2.89Å; M184-A188 WeakPolarHBondContact O-CB 3.36Å; M184-A188 PolarHBondContact O-N 3.47Å; M184-F338 HydrophobicContact CB-CD2 4.31Å |
| 185 | G | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.2 | -54.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | S181 T182 T187 A188 F189 F338 | S181-G185 PolarHBondContact O-N 2.93Å; T182-G185 PolarHBondContact O-N 3Å; T182-G185 VanDerWaalsContact O-N 3.16Å; G185-T187 VanDerWaalsContact C-N 3.3Å; G185-T187 PolarHBondContact O-N 3.3Å; G185-A188 PolarHBondContact O-N 3.38Å; G185-F189 WeakPolarHBondContact O-CD2 3.39Å; G185-F189 PolarHBondContact O-N 3.14Å; G185-F189 VanDerWaalsContact O-N 3.09Å; G185-F338 VanDerWaalsContact CA-CD2 3.47Å; G185-F338 VanDerWaalsContact CA-O 3.32Å; G185-F338 WeakPolarHBondContact CA-O 3.45Å |
| 186 | I | 97 | Very high | 93.1 | Very high | 46 Ų | 46 | 55.4 Ų | 55.4 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.1 | -46.6 | 176.9 | -64.9 | 169.9 | 0 | 0 | 0 | 110.5 | T182 L183 F189 L190 G341 I344 Y345 | T182-I186 HydrophobicContact CG2-CD1 4.36Å; T182-I186 WeakPolarHBondContact O-CG1 3.48Å; T182-I186 PolarHBondContact O-N 3.16Å; L183-I186 PolarHBondContact O-N 2.82Å; I186-F189 PolarHBondContact O-N 3.4Å; I186-L190 WeakPolarHBondContact O-CB 3.21Å; I186-L190 PolarHBondContact O-N 3.39Å; I186-G341 WeakPolarHBondContact CG1-O 3.15Å; I186-I344 HydrophobicContact CD1-CG2 4.16Å; I186-Y345 HydrophobicContact CG2-CD2 4.1Å |
| 187 | T | 97 | Very high | 93 | Very high | 67 Ų | 67 | 53.7 Ų | 53.7 | 41% | 0.411 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.4 | -40 | -176.9 | -58 | 0 | 0 | 0 | 0 | 111.8 | L183 M184 G185 L190 I191 | L183-T187 VanDerWaalsContact O-CB 3.22Å; L183-T187 WeakPolarHBondContact O-CB 3.24Å; L183-T187 PolarHBondContact O-N 3.09Å; L183-T187 PolarHBondContact O-OG1 2.91Å; M184-T187 PolarHBondContact O-N 2.89Å; G185-T187 VanDerWaalsContact C-N 3.3Å; G185-T187 PolarHBondContact O-N 3.3Å; T187-L190 PolarHBondContact O-N 2.98Å; T187-I191 HydrophobicContact CG2-CD1 3.74Å; T187-I191 HydrophobicContact CG2-CG1 4.34Å; T187-I191 WeakPolarHBondContact O-CB 3.25Å; T187-I191 WeakPolarHBondContact O-CD1 3.4Å; T187-I191 WeakPolarHBondContact O-CG1 3.33Å; T187-I191 PolarHBondContact O-N 3.49Å |
| 188 | A | 94.8 | Very high | 93 | Very high | 31 Ų | 31 | 55.7 Ų | 55.7 | 26% | 0.256 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M184 G185 L190 I191 V192 F338 | M184-A188 WeakPolarHBondContact O-CB 3.36Å; M184-A188 PolarHBondContact O-N 3.47Å; G185-A188 PolarHBondContact O-N 3.38Å; A188-L190 PolarHBondContact O-N 3.16Å; A188-I191 PolarHBondContact O-N 2.96Å; A188-V192 WeakPolarHBondContact O-CG2 3.22Å; A188-V192 PolarHBondContact O-N 2.83Å; A188-F338 HydrophobicContact CB-CE2 3.81Å; A188-F338 HydrophobicContact CB-CZ 3.8Å |
| 189 | F | 94.5 | Very high | 92.6 | Very high | 17 Ų | 17 | 60.1 Ų | 60.1 | 8% | 0.075 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 178.2 | -85.5 | -120.2 | 0 | 0 | 0 | 111.8 | G185 I186 I191 V192 E193 L240 A244 F338 Y345 I346 | G185-F189 WeakPolarHBondContact O-CD2 3.39Å; G185-F189 PolarHBondContact O-N 3.14Å; G185-F189 VanDerWaalsContact O-N 3.09Å; I186-F189 PolarHBondContact O-N 3.4Å; F189-I191 PolarHBondContact O-N 3.15Å; F189-V192 PolarHBondContact O-N 3.34Å; F189-E193 WeakPolarHBondContact O-CB 3.41Å; F189-E193 PolarHBondContact O-N 3.11Å; F189-L240 HydrophobicContact CD1-CB 4.01Å; F189-L240 HydrophobicContact CD1-CD1 4.43Å; F189-L240 HydrophobicContact CD1-CD2 3.98Å; F189-L240 HydrophobicContact CD1-CG 4.36Å; F189-L240 HydrophobicContact CE1-CB 4.01Å; F189-L240 HydrophobicContact CE1-CD2 4.31Å; F189-L240 WeakPolarHBondContact CE1-O 3.49Å; F189-L240 HydrophobicContact CG-CD2 4.43Å; F189-A244 HydrophobicContact CE1-CB 3.81Å; F189-A244 HydrophobicContact CZ-CB 3.67Å; F189-F338 HydrophobicContact CE2-CE1 4.46Å; F189-Y345 HydrophobicContact CB-CD1 3.63Å; F189-Y345 HydrophobicContact CB-CD2 4.34Å; F189-Y345 HydrophobicContact CB-CE1 4.14Å; F189-Y345 HydrophobicContact CB-CG 3.74Å; F189-Y345 HydrophobicContact CD1-CD1 4.28Å; F189-Y345 HydrophobicContact CG-CD1 4.44Å; F189-I346 HydrophobicContact CD1-CD1 4.38Å; F189-I346 HydrophobicContact CD1-CG1 4.25Å; F189-I346 HydrophobicContact CE1-CD1 3.86Å; F189-I346 HydrophobicContact CE1-CG1 4.23Å |
| 190 | L | 95.3 | Very high | 91.9 | Very high | 76 Ų | 76 | 62.3 Ų | 62.3 | 40% | 0.398 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 171.9 | -174.1 | 159.1 | 0 | 0 | 0 | 111.8 | I186 T187 A188 E193 K194 Y345 | I186-L190 WeakPolarHBondContact O-CB 3.21Å; I186-L190 PolarHBondContact O-N 3.39Å; T187-L190 PolarHBondContact O-N 2.98Å; A188-L190 PolarHBondContact O-N 3.16Å; L190-E193 PolarHBondContact O-N 3.07Å; L190-K194 HydrophobicContact CD2-CD 4.36Å; L190-K194 WeakPolarHBondContact O-CB 3.27Å; L190-K194 PolarHBondContact O-N 3.36Å; L190-Y345 HydrophobicContact CB-CD2 4.31Å; L190-Y345 HydrophobicContact CB-CE2 3.58Å; L190-Y345 HydrophobicContact CD1-CE2 4.43Å; L190-Y345 HydrophobicContact CG-CE2 4.18Å |
| 191 | I | 94.7 | Very high | 90.9 | Very high | 93 Ų | 93 | 63.4 Ų | 63.4 | 48% | 0.477 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.2 | -48.1 | -179.9 | -71.6 | 164.8 | 0 | 0 | 0 | 110.2 | T187 A188 F189 E193 K194 V195 | T187-I191 HydrophobicContact CG2-CD1 3.74Å; T187-I191 HydrophobicContact CG2-CG1 4.34Å; T187-I191 WeakPolarHBondContact O-CB 3.25Å; T187-I191 WeakPolarHBondContact O-CD1 3.4Å; T187-I191 WeakPolarHBondContact O-CG1 3.33Å; T187-I191 PolarHBondContact O-N 3.49Å; A188-I191 PolarHBondContact O-N 2.96Å; F189-I191 PolarHBondContact O-N 3.15Å; I191-E193 PolarHBondContact O-N 3.28Å; I191-K194 PolarHBondContact O-N 2.93Å; I191-V195 HydrophobicContact CG2-CG2 4.22Å; I191-V195 WeakPolarHBondContact O-CB 3.4Å; I191-V195 VanDerWaalsContact O-CG2 3.25Å; I191-V195 WeakPolarHBondContact O-CG2 3.46Å; I191-V195 PolarHBondContact O-N 2.92Å |
| 192 | V | 91.2 | Very high | 89.7 | Confident | 74 Ų | 74 | 71.4 Ų | 71.4 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.8 | -50.5 | 178.5 | 172.6 | 0 | 0 | 0 | 0 | 110.1 | A188 F189 K194 V195 V196 L240 | A188-V192 WeakPolarHBondContact O-CG2 3.22Å; A188-V192 PolarHBondContact O-N 2.83Å; F189-V192 PolarHBondContact O-N 3.34Å; V192-K194 VanDerWaalsContact C-N 3.32Å; V192-K194 PolarHBondContact O-N 3.1Å; V192-V195 PolarHBondContact O-N 3.37Å; V192-V196 HydrophobicContact CG1-CG2 4.45Å; V192-V196 VanDerWaalsContact O-CG2 3.28Å; V192-V196 WeakPolarHBondContact O-CG2 3.44Å; V192-V196 PolarHBondContact O-N 3.42Å; V192-L240 HydrophobicContact CB-CD2 4.02Å; V192-L240 HydrophobicContact CG1-CD2 3.63Å |
| 193 | E | 91.5 | Very high | 88 | Confident | 10 Ų | 10 | 74.9 Ų | 74.9 | 5% | 0.047 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.6 | -47.6 | 177.1 | -179.4 | 162.7 | 173.6 | 0 | 0 | 111.7 | F189 L190 I191 V195 V196 R197 I236 L240 Y345 | F189-E193 WeakPolarHBondContact O-CB 3.41Å; F189-E193 PolarHBondContact O-N 3.11Å; L190-E193 PolarHBondContact O-N 3.07Å; I191-E193 PolarHBondContact O-N 3.28Å; E193-V195 PolarHBondContact O-N 2.89Å; E193-V196 PolarHBondContact O-N 3.09Å; E193-R197 HydrophobicContact CG-CG 4.39Å; E193-R197 VanDerWaalsContact CG-NE 3.34Å; E193-R197 WeakPolarHBondContact O-CB 3.42Å; E193-R197 VanDerWaalsContact O-CG 3.26Å; E193-R197 WeakPolarHBondContact O-CG 3.32Å; E193-R197 PolarHBondContact O-N 3.47Å; E193-R197 IonicContact OE1-CZ 3.12Å; E193-R197 IonicContact OE1-NE 3.35Å; E193-R197 PolarHBondContact OE1-NE 3.35Å; E193-R197 IonicContact OE1-NH2 2.96Å; E193-R197 PolarHBondContact OE1-NH2 2.88Å; E193-I236 HydrophobicContact CB-CG2 4.17Å; E193-I236 HydrophobicContact CG-CG2 3.86Å; E193-L240 HydrophobicContact CB-CD1 4.01Å; E193-Y345 VanDerWaalsContact CD-OH 3.32Å; E193-Y345 WeakPolarHBondContact OE2-CE1 3.43Å; E193-Y345 PolarHBondContact OE2-OH 3.28Å |
| 194 | K | 90.1 | Very high | 86.1 | Confident | 128 Ų | 128 | 73 Ų | 73 | 56% | 0.557 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.2 | -42.2 | -178.4 | -170.5 | 155.5 | -170.2 | 158.8 | 0 | 112 | L190 I191 V192 R197 I198 | L190-K194 HydrophobicContact CD2-CD 4.36Å; L190-K194 WeakPolarHBondContact O-CB 3.27Å; L190-K194 PolarHBondContact O-N 3.36Å; I191-K194 PolarHBondContact O-N 2.93Å; V192-K194 VanDerWaalsContact C-N 3.32Å; V192-K194 PolarHBondContact O-N 3.1Å; K194-R197 PolarHBondContact O-N 3.26Å; K194-I198 HydrophobicContact CG-CD1 4.07Å; K194-I198 WeakPolarHBondContact O-CD1 3.42Å; K194-I198 WeakPolarHBondContact O-CG1 3.22Å; K194-I198 PolarHBondContact O-N 3.1Å |
| 195 | V | 90.4 | Very high | 84.2 | Confident | 71 Ų | 71 | 76.6 Ų | 76.6 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 175.5 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | I191 V192 E193 R197 I198 I199 | I191-V195 HydrophobicContact CG2-CG2 4.22Å; I191-V195 WeakPolarHBondContact O-CB 3.4Å; I191-V195 VanDerWaalsContact O-CG2 3.25Å; I191-V195 WeakPolarHBondContact O-CG2 3.46Å; I191-V195 PolarHBondContact O-N 2.92Å; V192-V195 PolarHBondContact O-N 3.37Å; E193-V195 PolarHBondContact O-N 2.89Å; V195-R197 VanDerWaalsContact C-N 3.32Å; V195-R197 PolarHBondContact O-N 3.16Å; V195-I198 PolarHBondContact O-N 2.95Å; V195-I198 VanDerWaalsContact O-N 3.16Å; V195-I199 HydrophobicContact CG1-CD1 3.72Å; V195-I199 HydrophobicContact CG1-CG1 4.4Å; V195-I199 WeakPolarHBondContact O-CG1 3.39Å; V195-I199 PolarHBondContact O-N 3.24Å |
| 196 | V | 87.1 | Confident | 82.2 | Confident | 48 Ų | 48 | 80.3 Ų | 80.3 | 29% | 0.291 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 178.4 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | V192 E193 I199 N200 I236 | V192-V196 HydrophobicContact CG1-CG2 4.45Å; V192-V196 VanDerWaalsContact O-CG2 3.28Å; V192-V196 WeakPolarHBondContact O-CG2 3.44Å; V192-V196 PolarHBondContact O-N 3.42Å; E193-V196 PolarHBondContact O-N 3.09Å; V196-I199 PolarHBondContact O-N 3.49Å; V196-N200 VanDerWaalsContact CG1-ND2 3.33Å; V196-N200 WeakPolarHBondContact CG1-ND2 3.35Å; V196-N200 WeakPolarHBondContact O-CB 3.45Å; V196-N200 PolarHBondContact O-N 2.58Å; V196-N200 PolarHBondContact O-ND2 2.93Å; V196-I236 HydrophobicContact CB-CD1 4.16Å; V196-I236 HydrophobicContact CB-CG1 4.39Å; V196-I236 HydrophobicContact CG1-CD1 3.67Å; V196-I236 HydrophobicContact CG1-CG1 3.66Å |
| 197 | R | 85.6 | Confident | 80.1 | Confident | 75 Ų | 75 | 86.3 Ų | 86.3 | 28% | 0.283 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63 | -42 | 174.1 | -72.3 | 170.8 | 177.5 | -86.6 | 6.8 | 112.3 | E193 K194 V195 H201 D233 I236 | E193-R197 HydrophobicContact CG-CG 4.39Å; E193-R197 VanDerWaalsContact CG-NE 3.34Å; E193-R197 WeakPolarHBondContact O-CB 3.42Å; E193-R197 VanDerWaalsContact O-CG 3.26Å; E193-R197 WeakPolarHBondContact O-CG 3.32Å; E193-R197 PolarHBondContact O-N 3.47Å; E193-R197 IonicContact OE1-CZ 3.12Å; E193-R197 IonicContact OE1-NE 3.35Å; E193-R197 PolarHBondContact OE1-NE 3.35Å; E193-R197 IonicContact OE1-NH2 2.96Å; E193-R197 PolarHBondContact OE1-NH2 2.88Å; K194-R197 PolarHBondContact O-N 3.26Å; V195-R197 VanDerWaalsContact C-N 3.32Å; V195-R197 PolarHBondContact O-N 3.16Å; R197-H201 VanDerWaalsContact O-CB 3.31Å; R197-H201 WeakPolarHBondContact O-CB 3.32Å; R197-H201 PolarHBondContact O-N 3.33Å; R197-D233 VanDerWaalsContact CZ-CG 3.41Å; R197-D233 IonicContact CZ-OD1 3.24Å; R197-D233 VanDerWaalsContact CZ-OD1 3.24Å; R197-D233 IonicContact CZ-OD2 3.38Å; R197-D233 IonicContact NH1-OD1 2.65Å; R197-D233 PolarHBondContact NH1-OD1 2.94Å; R197-D233 IonicContact NH1-OD2 2.9Å; R197-D233 PolarHBondContact NH1-OD2 2.93Å; R197-D233 IonicContact NH2-OD1 2.66Å; R197-D233 PolarHBondContact NH2-OD1 3.19Å; R197-D233 IonicContact NH2-OD2 3.8Å; R197-D233 PolarHBondContact NH2-OD2 3.32Å; R197-I236 HydrophobicContact CG-CD1 3.67Å |
| 198 | I | 87.1 | Confident | 77.8 | Confident | 80 Ų | 80 | 86.4 Ų | 86.4 | 41% | 0.41 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 177.5 | -71 | 163.2 | 0 | 0 | 0 | 110.9 | K194 V195 N200 H201 R202 | K194-I198 HydrophobicContact CG-CD1 4.07Å; K194-I198 WeakPolarHBondContact O-CD1 3.42Å; K194-I198 WeakPolarHBondContact O-CG1 3.22Å; K194-I198 PolarHBondContact O-N 3.1Å; V195-I198 PolarHBondContact O-N 2.95Å; V195-I198 VanDerWaalsContact O-N 3.16Å; I198-N200 PolarHBondContact O-N 3.39Å; I198-H201 PolarHBondContact O-N 2.91Å; I198-R202 WeakPolarHBondContact O-CG 3.28Å; I198-R202 PolarHBondContact O-N 3.21Å |
| 199 | I | 83.7 | Confident | 75.8 | Confident | 94 Ų | 94 | 94.1 Ų | 94.1 | 48% | 0.482 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 179.3 | -68.2 | 167.3 | 0 | 0 | 0 | 109.8 | V195 V196 H201 R202 V203 | V195-I199 HydrophobicContact CG1-CD1 3.72Å; V195-I199 HydrophobicContact CG1-CG1 4.4Å; V195-I199 WeakPolarHBondContact O-CG1 3.39Å; V195-I199 PolarHBondContact O-N 3.24Å; V196-I199 PolarHBondContact O-N 3.49Å; I199-H201 PolarHBondContact O-N 2.96Å; I199-R202 PolarHBondContact O-N 3.43Å; I199-V203 WeakPolarHBondContact O-CG2 3.33Å; I199-V203 PolarHBondContact O-N 3.44Å; I199-V203 VanDerWaalsContact O-N 3.09Å |
| 200 | N | 78.1 | Confident | 73.7 | Confident | 67 Ų | 67 | 101 Ų | 101 | 36% | 0.358 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -34.3 | 179.8 | -74.1 | -57.5 | 0 | 0 | 0 | 113 | V196 I198 R202 G204 L232 | V196-N200 VanDerWaalsContact CG1-ND2 3.33Å; V196-N200 WeakPolarHBondContact CG1-ND2 3.35Å; V196-N200 WeakPolarHBondContact O-CB 3.45Å; V196-N200 PolarHBondContact O-N 2.58Å; V196-N200 PolarHBondContact O-ND2 2.93Å; I198-N200 PolarHBondContact O-N 3.39Å; N200-R202 VanDerWaalsContact C-N 3.35Å; N200-G204 PolarHBondContact O-N 3.31Å; N200-L232 HydrophobicContact CB-CD1 4.33Å; N200-L232 HydrophobicContact CB-CD2 3.57Å |
| 201 | H | 74.4 | Confident | 71.6 | Confident | 107 Ų | 107 | 106 Ų | 106 | 50% | 0.495 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.8 | -34.3 | 174.5 | -168.6 | -86 | 0 | 0 | 0 | 112.3 | R197 I198 I199 K225 | R197-H201 VanDerWaalsContact O-CB 3.31Å; R197-H201 WeakPolarHBondContact O-CB 3.32Å; R197-H201 PolarHBondContact O-N 3.33Å; I198-H201 PolarHBondContact O-N 2.91Å; I199-H201 PolarHBondContact O-N 2.96Å; H201-K225 PolarHBondContact NE2-NZ 2.89Å |
| 202 | R | 66.7 | Low | 69.5 | Low | 183 Ų | 183 | 105.1 Ų | 105.1 | 69% | 0.691 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.9 | -43.2 | 177.2 | -73.6 | -176.5 | -178.7 | -141 | 1.9 | 112.3 | I198 I199 N200 G204 Y205 S206 | I198-R202 WeakPolarHBondContact O-CG 3.28Å; I198-R202 PolarHBondContact O-N 3.21Å; I199-R202 PolarHBondContact O-N 3.43Å; N200-R202 VanDerWaalsContact C-N 3.35Å; R202-G204 PolarHBondContact O-N 3.45Å; R202-Y205 PolarHBondContact O-N 3.47Å; R202-S206 PolarHBondContact O-N 3.48Å; R202-S206 PolarHBondContact O-OG 3.48Å |
| 203 | V | 61.5 | Low | 67.6 | Low | 87 Ų | 87 | 110.9 Ų | 110.9 | 53% | 0.527 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.6 | -34.4 | 178.7 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | I199 Y205 S206 | I199-V203 WeakPolarHBondContact O-CG2 3.33Å; I199-V203 PolarHBondContact O-N 3.44Å; I199-V203 VanDerWaalsContact O-N 3.09Å; V203-Y205 PolarHBondContact O-N 2.77Å; V203-S206 PolarHBondContact O-OG 3.42Å |
| 204 | G | 55.7 | Low | 65.8 | Low | 68 Ų | 68 | 113 Ų | 113 | 70% | 0.701 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -18 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | N200 R202 | N200-G204 PolarHBondContact O-N 3.31Å; R202-G204 PolarHBondContact O-N 3.45Å |
| 205 | Y | 56.1 | Low | 64.2 | Low | 186 Ų | 186 | 114 Ų | 114 | 73% | 0.729 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -20 | -177.3 | -146.4 | -5 | 0 | 0 | 0 | 113.8 | R202 V203 H207 | R202-Y205 PolarHBondContact O-N 3.47Å; V203-Y205 PolarHBondContact O-N 2.77Å; Y205-H207 VanDerWaalsContact C-N 3.35Å; Y205-H207 PolarHBondContact O-N 2.85Å |
| 206 | S | 53.4 | Low | 62.7 | Low | 79 Ų | 79 | 116.2 Ų | 116.2 | 55% | 0.552 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 7.8 | -169.7 | 34.8 | 0 | 0 | 0 | 0 | 116.4 | R202 V203 | R202-S206 PolarHBondContact O-N 3.48Å; R202-S206 PolarHBondContact O-OG 3.48Å; V203-S206 PolarHBondContact O-OG 3.42Å |
| 207 | H | 53.4 | Low | 61.2 | Low | 172 Ų | 172 | 120 Ų | 120 | 80% | 0.796 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.5 | 23.1 | -175.6 | -71.8 | -55.9 | 0 | 0 | 0 | 117.3 | Y205 | Y205-H207 VanDerWaalsContact C-N 3.35Å; Y205-H207 PolarHBondContact O-N 2.85Å |
| 208 | S | 48.6 | Very low | 59.8 | Low | 68 Ų | 68 | 121.8 Ų | 121.8 | 48% | 0.476 | 64% | 0.635 | S | S | . | * | trans | -124.4 | 74 | 174.9 | 70.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 209 | H | 53 | Low | 58.3 | Low | 194 Ų | 194 | 125.3 Ų | 125.3 | 90% | 0.898 | 65% | 0.649 | S | S | * | * | trans | -88.2 | 90.5 | 150.9 | -76.6 | -72.3 | 0 | 0 | 0 | 108.2 | ||||
| 210 | H | 50.2 | Low | 57.2 | Low | 161 Ų | 161 | 124.8 Ų | 124.8 | 75% | 0.745 | 65% | 0.651 | S | S | * | * | trans | -133.6 | 110.2 | 169.4 | -151.5 | -76.8 | 0 | 0 | 0 | 109.4 | S212 | H210-S212 PolarHBondContact O-N 3.47Š| ||
| 211 | H | 50.4 | Low | 56.2 | Low | 181 Ų | 181 | 127.4 Ų | 127.4 | 84% | 0.838 | 66% | 0.659 | S | S | * | * | trans | -64.2 | 117.8 | 168.2 | -63.6 | -79.2 | 0 | 0 | 0 | 108.4 | ||||
| 212 | S | 50.9 | Low | 55.5 | Low | 74 Ų | 74 | 127.4 Ų | 127.4 | 52% | 0.517 | 66% | 0.659 | S | S | . | * | trans | -164.4 | 115.2 | 166.4 | -167.2 | 0 | 0 | 0 | 0 | 110.3 | H210 | H210-S212 PolarHBondContact O-N 3.47Š| ||
| 213 | H | 52.1 | Low | 55 | Low | 196 Ų | 196 | 121.2 Ų | 121.2 | 91% | 0.907 | 65% | 0.647 | S | S | * | * | trans | -61.6 | 130 | 168.1 | -70.4 | -91.3 | 0 | 0 | 0 | 110.2 | ||||
| 214 | G | 52.8 | Low | 54.9 | Low | 53 Ų | 53 | 122.5 Ų | 122.5 | 55% | 0.546 | 65% | 0.647 | S | S | . | * | trans | 149.3 | 105.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T216 | G214-T216 PolarHBondContact O-N 3.36Š| ||
| 215 | D | 57.9 | Low | 54.9 | Low | 150 Ų | 150 | 125.1 Ų | 125.1 | 80% | 0.802 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 3.7 | -175.9 | -71.5 | -45.6 | 0 | 0 | 0 | 115.9 | ||
| 216 | T | 57.6 | Low | 55 | Low | 118 Ų | 118 | 123.9 Ų | 123.9 | 72% | 0.724 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -16.2 | -178.2 | -38.9 | 0 | 0 | 0 | 0 | 113.6 | G214 | G214-T216 PolarHBondContact O-N 3.36Š|
| 217 | K | 55.5 | Low | 55.2 | Low | 126 Ų | 126 | 127.5 Ų | 127.5 | 55% | 0.548 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -81 | -13.8 | -175 | -74.8 | -175.5 | 178.2 | 176 | 0 | 115.3 | K221 | K217-K221 PolarHBondContact O-N 3.16Å |
| 218 | I | 56.7 | Low | 55.6 | Low | 113 Ų | 113 | 123.1 Ų | 123.1 | 58% | 0.579 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.8 | -44.2 | -176.9 | -62.2 | 177.5 | 0 | 0 | 0 | 110.8 | V220 K221 E222 | I218-V220 PolarHBondContact O-N 2.93Å; I218-K221 PolarHBondContact O-N 2.89Å; I218-E222 WeakPolarHBondContact O-CB 3.15Å; I218-E222 PolarHBondContact O-N 3.39Å |
| 219 | Q | 55 | Low | 56.3 | Low | 154 Ų | 154 | 125.7 Ų | 125.7 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.5 | -36.8 | -178.2 | -65.2 | -176.3 | 35.2 | 0 | 0 | 112.9 | E222 A223 | Q219-E222 PolarHBondContact O-N 3.12Å; Q219-A223 WeakPolarHBondContact O-CB 3.43Å; Q219-A223 PolarHBondContact O-N 3.27Å |
| 220 | V | 60.8 | Low | 57.1 | Low | 84 Ų | 84 | 119.3 Ų | 119.3 | 51% | 0.509 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67 | -45 | 178.1 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | I218 E222 A223 E224 | I218-V220 PolarHBondContact O-N 2.93Å; V220-E222 VanDerWaalsContact C-N 3.29Å; V220-E222 PolarHBondContact O-N 3.05Å; V220-A223 PolarHBondContact O-N 3.37Å; V220-E224 WeakPolarHBondContact O-CG 3.32Å; V220-E224 PolarHBondContact O-N 3.09Å |
| 221 | K | 57.8 | Low | 58.4 | Low | 122 Ų | 122 | 113.4 Ų | 113.4 | 53% | 0.53 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.5 | -35.3 | 177.1 | -74.1 | -173.1 | 175.6 | -172.8 | 0 | 112.4 | K217 I218 K225 | K217-K221 PolarHBondContact O-N 3.16Å; I218-K221 PolarHBondContact O-N 2.89Å; K221-K225 VanDerWaalsContact O-CB 3.31Å; K221-K225 WeakPolarHBondContact O-CB 3.47Å; K221-K225 PolarHBondContact O-N 3.3Å |
| 222 | E | 59.1 | Low | 60 | Low | 107 Ų | 107 | 107 Ų | 107 | 50% | 0.5 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.2 | -44.5 | 176.9 | -163.6 | 159.6 | -156.1 | 0 | 0 | 110.9 | I218 Q219 V220 E224 K225 Y226 | I218-E222 WeakPolarHBondContact O-CB 3.15Å; I218-E222 PolarHBondContact O-N 3.39Å; Q219-E222 PolarHBondContact O-N 3.12Å; V220-E222 VanDerWaalsContact C-N 3.29Å; V220-E222 PolarHBondContact O-N 3.05Å; E222-E224 PolarHBondContact O-N 2.78Å; E222-K225 PolarHBondContact O-N 3.43Å; E222-Y226 HydrophobicContact CG-CD2 4.01Å; E222-Y226 HydrophobicContact CG-CE2 3.98Å; E222-Y226 VanDerWaalsContact O-CD2 3.32Å; E222-Y226 WeakPolarHBondContact O-CD2 3.38Å; E222-Y226 PolarHBondContact O-N 3.3Å |
| 223 | A | 56.1 | Low | 61.6 | Low | 52 Ų | 52 | 105.3 Ų | 105.3 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q219 V220 Y226 Q227 | Q219-A223 WeakPolarHBondContact O-CB 3.43Å; Q219-A223 PolarHBondContact O-N 3.27Å; V220-A223 PolarHBondContact O-N 3.37Å; A223-Y226 PolarHBondContact O-N 3.24Å; A223-Q227 PolarHBondContact O-N 3.19Å |
| 224 | E | 59.2 | Low | 63.1 | Low | 115 Ų | 115 | 100 Ų | 100 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 174.3 | -74.1 | 176.7 | 173.3 | 0 | 0 | 111.9 | V220 E222 Y226 Q227 T228 | V220-E224 WeakPolarHBondContact O-CG 3.32Å; V220-E224 PolarHBondContact O-N 3.09Å; E222-E224 PolarHBondContact O-N 2.78Å; E224-Y226 VanDerWaalsContact C-N 3.35Å; E224-Y226 PolarHBondContact O-N 3.2Å; E224-Q227 PolarHBondContact O-N 3.43Å; E224-T228 WeakPolarHBondContact O-CB 3.39Å; E224-T228 VanDerWaalsContact O-CG2 3.28Å; E224-T228 WeakPolarHBondContact O-CG2 3.4Å; E224-T228 PolarHBondContact O-N 3.49Å; E224-T228 PolarHBondContact O-OG1 3.12Å |
| 225 | K | 57.1 | Low | 64.9 | Low | 122 Ų | 122 | 102.5 Ų | 102.5 | 53% | 0.53 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 176 | -170.6 | 177.6 | -176.9 | 179.3 | 0 | 111.9 | H201 K221 E222 T228 K229 | H201-K225 PolarHBondContact NE2-NZ 2.89Å; K221-K225 VanDerWaalsContact O-CB 3.31Å; K221-K225 WeakPolarHBondContact O-CB 3.47Å; K221-K225 PolarHBondContact O-N 3.3Å; E222-K225 PolarHBondContact O-N 3.43Å; K225-T228 WeakPolarHBondContact CA-OG1 3.43Å; K225-T228 PolarHBondContact O-OG1 3.39Å; K225-K229 PolarHBondContact O-N 3.04Å |
| 226 | Y | 58.4 | Low | 66.4 | Low | 161 Ų | 161 | 95.7 Ų | 95.7 | 63% | 0.631 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -68.5 | -37.8 | 175.5 | -92.5 | -86.8 | 0 | 0 | 0 | 112.7 | E222 A223 E224 P230 | E222-Y226 HydrophobicContact CG-CD2 4.01Å; E222-Y226 HydrophobicContact CG-CE2 3.98Å; E222-Y226 VanDerWaalsContact O-CD2 3.32Å; E222-Y226 WeakPolarHBondContact O-CD2 3.38Å; E222-Y226 PolarHBondContact O-N 3.3Å; A223-Y226 PolarHBondContact O-N 3.24Å; E224-Y226 VanDerWaalsContact C-N 3.35Å; E224-Y226 PolarHBondContact O-N 3.2Å; Y226-P230 WeakPolarHBondContact O-CD 3.5Å |
| 227 | Q | 57.5 | Low | 68 | Low | 154 Ų | 154 | 90.5 Ų | 90.5 | 72% | 0.72 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -72.4 | -34.8 | 176.4 | -74.4 | -177.7 | -4.6 | 0 | 0 | 113.2 | A223 E224 | A223-Q227 PolarHBondContact O-N 3.19Å; E224-Q227 PolarHBondContact O-N 3.43Å |
| 228 | T | 61.9 | Low | 69.7 | Low | 80 Ų | 80 | 84.6 Ų | 84.6 | 49% | 0.491 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -71.2 | -30.6 | 179 | 48.2 | 0 | 0 | 0 | 0 | 112.6 | E224 K225 S231 L232 | E224-T228 WeakPolarHBondContact O-CB 3.39Å; E224-T228 VanDerWaalsContact O-CG2 3.28Å; E224-T228 WeakPolarHBondContact O-CG2 3.4Å; E224-T228 PolarHBondContact O-N 3.49Å; E224-T228 PolarHBondContact O-OG1 3.12Å; K225-T228 WeakPolarHBondContact CA-OG1 3.43Å; K225-T228 PolarHBondContact O-OG1 3.39Å; T228-S231 PolarHBondContact O-N 3.34Å; T228-S231 PolarHBondContact O-OG 2.88Å; T228-L232 PolarHBondContact O-N 3.45Å |
| 229 | K | 63.5 | Low | 71.4 | Confident | 123 Ų | 123 | 87.1 Ų | 87.1 | 54% | 0.535 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.3 | -54.9 | -177.9 | -175.1 | -175 | -179.3 | -168.1 | 0 | 113.4 | K225 S231 L232 D233 | K225-K229 PolarHBondContact O-N 3.04Å; K229-S231 PolarHBondContact O-N 3.01Å; K229-L232 PolarHBondContact O-N 2.99Å; K229-L232 VanDerWaalsContact O-N 3.07Å; K229-D233 PolarHBondContact O-N 3.2Å |
| 230 | P | 69.2 | Low | 73.2 | Confident | 60 Ų | 60 | 80.1 Ų | 80.1 | 39% | 0.39 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.5 | -33.4 | 174.7 | -24.4 | 32.8 | 0 | 0 | 0 | 113.2 | Y226 R234 | Y226-P230 WeakPolarHBondContact O-CD 3.5Å; P230-R234 WeakPolarHBondContact O-CG 3.19Å; P230-R234 PolarHBondContact O-N 3.13Å; P230-R234 PolarHBondContact O-NE 3.39Å |
| 231 | S | 77.5 | Confident | 74.8 | Confident | 37 Ų | 37 | 76.1 Ų | 76.1 | 26% | 0.259 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.5 | -35.2 | 177 | 82.5 | 0 | 0 | 0 | 0 | 113 | T228 K229 K235 | T228-S231 PolarHBondContact O-N 3.34Å; T228-S231 PolarHBondContact O-OG 2.88Å; K229-S231 PolarHBondContact O-N 3.01Å; S231-K235 VanDerWaalsContact O-CG 3.29Å; S231-K235 WeakPolarHBondContact O-CG 3.13Å; S231-K235 PolarHBondContact O-N 2.8Å |
| 232 | L | 83.7 | Confident | 76.5 | Confident | 45 Ų | 45 | 71.5 Ų | 71.5 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.7 | -44.1 | 177 | 178.1 | 63.3 | 0 | 0 | 0 | 110.6 | N200 T228 K229 R234 K235 I236 | N200-L232 HydrophobicContact CB-CD1 4.33Å; N200-L232 HydrophobicContact CB-CD2 3.57Å; T228-L232 PolarHBondContact O-N 3.45Å; K229-L232 PolarHBondContact O-N 2.99Å; K229-L232 VanDerWaalsContact O-N 3.07Å; L232-R234 VanDerWaalsContact C-N 3.34Å; L232-R234 PolarHBondContact O-N 2.82Å; L232-K235 WeakPolarHBondContact O-CB 3.29Å; L232-K235 PolarHBondContact O-N 3.36Å; L232-K235 VanDerWaalsContact O-N 3.08Å; L232-I236 HydrophobicContact CD1-CD1 4.16Å; L232-I236 HydrophobicContact CD1-CG1 4.24Å; L232-I236 HydrophobicContact CD2-CD1 4.46Å; L232-I236 HydrophobicContact CG-CD1 3.9Å; L232-I236 HydrophobicContact CG-CG1 4.38Å; L232-I236 WeakPolarHBondContact O-CG1 3.39Å; L232-I236 PolarHBondContact O-N 3.47Å |
| 233 | D | 83.5 | Confident | 78 | Confident | 39 Ų | 39 | 69 Ų | 69 | 21% | 0.209 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.3 | -47.1 | -177.8 | -66.6 | 12.6 | 0 | 0 | 0 | 110.8 | R197 K229 K235 I236 A237 | R197-D233 VanDerWaalsContact CZ-CG 3.41Å; R197-D233 IonicContact CZ-OD1 3.24Å; R197-D233 VanDerWaalsContact CZ-OD1 3.24Å; R197-D233 IonicContact CZ-OD2 3.38Å; R197-D233 IonicContact NH1-OD1 2.65Å; R197-D233 PolarHBondContact NH1-OD1 2.94Å; R197-D233 IonicContact NH1-OD2 2.9Å; R197-D233 PolarHBondContact NH1-OD2 2.93Å; R197-D233 IonicContact NH2-OD1 2.66Å; R197-D233 PolarHBondContact NH2-OD1 3.19Å; R197-D233 IonicContact NH2-OD2 3.8Å; R197-D233 PolarHBondContact NH2-OD2 3.32Å; K229-D233 PolarHBondContact O-N 3.2Å; D233-K235 VanDerWaalsContact C-N 3.33Å; D233-K235 PolarHBondContact O-N 3.26Å; D233-I236 PolarHBondContact O-N 3.2Å; D233-A237 PolarHBondContact O-N 2.92Å |
| 234 | R | 85.4 | Confident | 79.8 | Confident | 85 Ų | 85 | 66.6 Ų | 66.6 | 32% | 0.321 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 175.1 | -66.2 | 176.5 | -64.6 | 168.2 | -6.4 | 112.9 | P230 L232 G238 Q291 S292 | P230-R234 WeakPolarHBondContact O-CG 3.19Å; P230-R234 PolarHBondContact O-N 3.13Å; P230-R234 PolarHBondContact O-NE 3.39Å; L232-R234 VanDerWaalsContact C-N 3.34Å; L232-R234 PolarHBondContact O-N 2.82Å; R234-G238 PolarHBondContact O-N 3.03Å; R234-Q291 WeakPolarHBondContact CD-O 3.48Å; R234-Q291 HydrophobicContact CG-CG 4.2Å; R234-S292 WeakPolarHBondContact O-CA 3.5Å; R234-S292 WeakPolarHBondContact O-CB 3.34Å |
| 235 | K | 89.4 | Confident | 81.3 | Confident | 106 Ų | 106 | 61.2 Ų | 61.2 | 46% | 0.461 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66 | -44.1 | 175 | -76.7 | 173.3 | -177.3 | 177 | 0 | 112 | S231 L232 D233 G238 Y239 S292 | S231-K235 VanDerWaalsContact O-CG 3.29Å; S231-K235 WeakPolarHBondContact O-CG 3.13Å; S231-K235 PolarHBondContact O-N 2.8Å; L232-K235 WeakPolarHBondContact O-CB 3.29Å; L232-K235 PolarHBondContact O-N 3.36Å; L232-K235 VanDerWaalsContact O-N 3.08Å; D233-K235 VanDerWaalsContact C-N 3.33Å; D233-K235 PolarHBondContact O-N 3.26Å; K235-G238 PolarHBondContact O-N 3.15Å; K235-Y239 WeakPolarHBondContact O-CD2 3.3Å; K235-Y239 PolarHBondContact O-N 3.05Å; K235-Y239 VanDerWaalsContact O-N 3.1Å; K235-S292 WeakPolarHBondContact CG-O 3.28Å |
| 236 | I | 90.1 | Very high | 83 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -45.9 | 178.3 | -62.7 | 169.7 | 0 | 0 | 0 | 110 | E193 V196 R197 L232 D233 G238 Y239 L240 | E193-I236 HydrophobicContact CB-CG2 4.17Å; E193-I236 HydrophobicContact CG-CG2 3.86Å; V196-I236 HydrophobicContact CB-CD1 4.16Å; V196-I236 HydrophobicContact CB-CG1 4.39Å; V196-I236 HydrophobicContact CG1-CD1 3.67Å; V196-I236 HydrophobicContact CG1-CG1 3.66Å; R197-I236 HydrophobicContact CG-CD1 3.67Å; L232-I236 HydrophobicContact CD1-CD1 4.16Å; L232-I236 HydrophobicContact CD1-CG1 4.24Å; L232-I236 HydrophobicContact CD2-CD1 4.46Å; L232-I236 HydrophobicContact CG-CD1 3.9Å; L232-I236 HydrophobicContact CG-CG1 4.38Å; L232-I236 WeakPolarHBondContact O-CG1 3.39Å; L232-I236 PolarHBondContact O-N 3.47Å; D233-I236 PolarHBondContact O-N 3.2Å; I236-G238 VanDerWaalsContact C-N 3.3Å; I236-G238 PolarHBondContact O-N 2.92Å; I236-Y239 PolarHBondContact O-N 2.55Å; I236-Y239 VanDerWaalsContact O-N 3.11Å; I236-L240 HydrophobicContact CG2-CD1 3.89Å; I236-L240 HydrophobicContact CG2-CG 4.2Å; I236-L240 WeakPolarHBondContact O-CG 3.31Å; I236-L240 PolarHBondContact O-N 2.94Å |
| 237 | A | 90 | Very high | 84.6 | Confident | 10 Ų | 10 | 52.5 Ų | 52.5 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.3 | -46.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D233 Y239 L240 N241 | D233-A237 PolarHBondContact O-N 2.92Å; A237-Y239 PolarHBondContact O-N 3.27Å; A237-L240 PolarHBondContact O-N 3.35Å; A237-N241 VanDerWaalsContact O-CB 3.31Å; A237-N241 WeakPolarHBondContact O-CB 3.43Å; A237-N241 PolarHBondContact O-N 3.24Å |
| 238 | G | 92.3 | Very high | 86.2 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.7 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R234 K235 I236 L242 | R234-G238 PolarHBondContact O-N 3.03Å; K235-G238 PolarHBondContact O-N 3.15Å; I236-G238 VanDerWaalsContact C-N 3.3Å; I236-G238 PolarHBondContact O-N 2.92Å; G238-L242 WeakPolarHBondContact O-CG 3.24Å; G238-L242 PolarHBondContact O-N 3.09Å |
| 239 | Y | 92.4 | Very high | 87.6 | Confident | 165 Ų | 165 | 41.3 Ų | 41.3 | 65% | 0.647 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -72.6 | -39.6 | 177.1 | -72.7 | -61.2 | 0 | 0 | 0 | 113.3 | K235 I236 A237 N241 L242 A243 | K235-Y239 WeakPolarHBondContact O-CD2 3.3Å; K235-Y239 PolarHBondContact O-N 3.05Å; K235-Y239 VanDerWaalsContact O-N 3.1Å; I236-Y239 PolarHBondContact O-N 2.55Å; I236-Y239 VanDerWaalsContact O-N 3.11Å; A237-Y239 PolarHBondContact O-N 3.27Å; Y239-N241 VanDerWaalsContact C-N 3.27Å; Y239-N241 PolarHBondContact O-N 3.34Å; Y239-L242 PolarHBondContact O-N 2.88Å; Y239-A243 PolarHBondContact O-N 2.96Å; Y239-A243 VanDerWaalsContact O-N 3.15Å |
| 240 | L | 92.8 | Very high | 88.9 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -39 | 174.4 | -70.7 | 174.9 | 0 | 0 | 0 | 110.9 | F189 V192 E193 I236 A237 A243 A244 Y345 | F189-L240 HydrophobicContact CD1-CB 4.01Å; F189-L240 HydrophobicContact CD1-CD1 4.43Å; F189-L240 HydrophobicContact CD1-CD2 3.98Å; F189-L240 HydrophobicContact CD1-CG 4.36Å; F189-L240 HydrophobicContact CE1-CB 4.01Å; F189-L240 HydrophobicContact CE1-CD2 4.31Å; F189-L240 WeakPolarHBondContact CE1-O 3.49Å; F189-L240 HydrophobicContact CG-CD2 4.43Å; V192-L240 HydrophobicContact CB-CD2 4.02Å; V192-L240 HydrophobicContact CG1-CD2 3.63Å; E193-L240 HydrophobicContact CB-CD1 4.01Å; I236-L240 HydrophobicContact CG2-CD1 3.89Å; I236-L240 HydrophobicContact CG2-CG 4.2Å; I236-L240 WeakPolarHBondContact O-CG 3.31Å; I236-L240 PolarHBondContact O-N 2.94Å; A237-L240 PolarHBondContact O-N 3.35Å; L240-A243 PolarHBondContact O-N 3.27Å; L240-A244 PolarHBondContact O-N 2.81Å; L240-Y345 HydrophobicContact CD1-CE1 4.19Å |
| 241 | N | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58 | -50.7 | 175.3 | -159.8 | 80 | 0 | 0 | 0 | 111.8 | A237 Y239 A243 A244 D245 D285 I288 I346 | A237-N241 VanDerWaalsContact O-CB 3.31Å; A237-N241 WeakPolarHBondContact O-CB 3.43Å; A237-N241 PolarHBondContact O-N 3.24Å; Y239-N241 VanDerWaalsContact C-N 3.27Å; Y239-N241 PolarHBondContact O-N 3.34Å; N241-A243 PolarHBondContact O-N 3.4Å; N241-A244 PolarHBondContact O-N 3.43Å; N241-D245 WeakPolarHBondContact O-CB 3.34Å; N241-D245 PolarHBondContact O-N 3.42Å; N241-D285 WeakPolarHBondContact ND2-CA 3.28Å; N241-D285 VanDerWaalsContact ND2-CB 3.32Å; N241-D285 WeakPolarHBondContact ND2-CB 3.41Å; N241-D285 PolarHBondContact ND2-OD1 3.31Å; N241-D285 PolarHBondContact ND2-OD2 3Å; N241-D285 PolarHBondContact OD1-OD1 3.4Å; N241-I288 HydrophobicContact CB-CG2 3.86Å; N241-I288 WeakPolarHBondContact OD1-CD1 3Å; N241-I346 HydrophobicContact CB-CD1 4.4Å |
| 242 | L | 93.7 | Very high | 90.5 | Very high | 25 Ų | 25 | 33.9 Ų | 33.9 | 13% | 0.131 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.7 | -35.4 | 176.5 | -68.6 | 169.9 | 0 | 0 | 0 | 113 | G238 Y239 F246 L289 L302 T306 | G238-L242 WeakPolarHBondContact O-CG 3.24Å; G238-L242 PolarHBondContact O-N 3.09Å; Y239-L242 PolarHBondContact O-N 2.88Å; L242-F246 VanDerWaalsContact O-CB 3.24Å; L242-F246 WeakPolarHBondContact O-CB 3.37Å; L242-F246 PolarHBondContact O-N 3.15Å; L242-L289 HydrophobicContact CD1-CD2 3.99Å; L242-L289 HydrophobicContact CD2-CD1 3.99Å; L242-L289 HydrophobicContact CD2-CD2 4.07Å; L242-L289 HydrophobicContact CG-CD2 3.92Å; L242-L302 HydrophobicContact CD1-CB 4.19Å; L242-L302 HydrophobicContact CD1-CD1 4.24Å; L242-L302 HydrophobicContact CD1-CD2 4.17Å; L242-L302 HydrophobicContact CD1-CG 4.44Å; L242-L302 HydrophobicContact CD2-CB 3.89Å; L242-T306 HydrophobicContact CB-CG2 4.21Å; L242-T306 HydrophobicContact CD2-CG2 3.72Å; L242-T306 VanDerWaalsContact O-CG2 3.32Å; L242-T306 WeakPolarHBondContact O-CG2 3.47Å |
| 243 | A | 92.2 | Very high | 90.9 | Very high | 55 Ų | 55 | 31.7 Ų | 31.7 | 46% | 0.455 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -71.2 | -41 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y239 L240 N241 A247 | Y239-A243 PolarHBondContact O-N 2.96Å; Y239-A243 VanDerWaalsContact O-N 3.15Å; L240-A243 PolarHBondContact O-N 3.27Å; N241-A243 PolarHBondContact O-N 3.4Å; A243-A247 PolarHBondContact O-N 3.5Å |
| 244 | A | 92.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.1 | -48.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F189 L240 N241 F246 A247 H248 F343 I346 | F189-A244 HydrophobicContact CE1-CB 3.81Å; F189-A244 HydrophobicContact CZ-CB 3.67Å; L240-A244 PolarHBondContact O-N 2.81Å; N241-A244 PolarHBondContact O-N 3.43Å; A244-F246 PolarHBondContact O-N 3.32Å; A244-A247 WeakPolarHBondContact O-CB 3.12Å; A244-A247 PolarHBondContact O-N 2.98Å; A244-A247 VanDerWaalsContact O-N 3.08Å; A244-H248 PolarHBondContact O-N 3.32Å; A244-F343 HydrophobicContact CB-CD1 3.59Å; A244-F343 HydrophobicContact CB-CE1 3.44Å; A244-F343 VanDerWaalsContact CB-CE1 3.44Å; A244-I346 HydrophobicContact CB-CD1 3.62Å |
| 245 | D | 92.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.2 | -47.4 | 177.4 | 177.9 | 18.2 | 0 | 0 | 0 | 111.1 | N241 A247 H248 N249 D285 T306 | N241-D245 WeakPolarHBondContact O-CB 3.34Å; N241-D245 PolarHBondContact O-N 3.42Å; D245-A247 VanDerWaalsContact C-N 3.27Å; D245-A247 PolarHBondContact O-N 3.25Å; D245-H248 PolarHBondContact O-N 3.41Å; D245-H248 VanDerWaalsContact O-N 3.16Å; D245-N249 VanDerWaalsContact O-CB 3.29Å; D245-N249 WeakPolarHBondContact O-CB 3.43Å; D245-N249 PolarHBondContact O-N 3.16Å; D245-N249 PolarHBondContact OD1-ND2 3.23Å; D245-D285 WeakPolarHBondContact CB-OD2 3.28Å; D245-T306 HydrophobicContact CB-CG2 4.16Å; D245-T306 WeakPolarHBondContact OD2-CB 3.34Å; D245-T306 VanDerWaalsContact OD2-CG2 3.31Å; D245-T306 WeakPolarHBondContact OD2-CG2 3.41Å; D245-T306 PolarHBondContact OD2-OG1 3.47Å |
| 246 | F | 92.8 | Very high | 91.4 | Very high | 76 Ų | 76 | 23 Ų | 23 | 33% | 0.333 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -55.7 | -40.9 | 173.5 | 179.5 | -85.3 | 0 | 0 | 0 | 113 | L242 A244 F250 T306 M308 G309 M312 | L242-F246 VanDerWaalsContact O-CB 3.24Å; L242-F246 WeakPolarHBondContact O-CB 3.37Å; L242-F246 PolarHBondContact O-N 3.15Å; A244-F246 PolarHBondContact O-N 3.32Å; F246-F250 VanDerWaalsContact O-CB 3.28Å; F246-F250 WeakPolarHBondContact O-CB 3.49Å; F246-F250 PolarHBondContact O-N 2.95Å; F246-T306 HydrophobicContact CB-CG2 4.2Å; F246-M308 HydrophobicContact CE2-CB 4.36Å; F246-G309 VanDerWaalsContact CE2-CA 3.46Å; F246-G309 VanDerWaalsContact CE2-N 3.33Å; F246-M312 HydrophobicContact CZ-SD 4.01Å |
| 247 | A | 90.2 | Very high | 91.3 | Very high | 24 Ų | 24 | 22.8 Ų | 22.8 | 20% | 0.198 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -71.6 | -35.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A243 A244 D245 F250 T251 | A243-A247 PolarHBondContact O-N 3.5Å; A244-A247 WeakPolarHBondContact O-CB 3.12Å; A244-A247 PolarHBondContact O-N 2.98Å; A244-A247 VanDerWaalsContact O-N 3.08Å; D245-A247 VanDerWaalsContact C-N 3.27Å; D245-A247 PolarHBondContact O-N 3.25Å; A247-F250 WeakPolarHBondContact O-CB 3.21Å; A247-T251 PolarHBondContact O-N 3.24Å; A247-T251 PolarHBondContact O-OG1 2.97Å |
| 248 | H | 91.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.3 | -52.3 | 173.5 | -175.2 | 70.4 | 0 | 0 | 0 | 111.1 | D137 A244 D245 F250 T251 D252 H277 E278 H281 T339 F343 | D137-H248 IonicContact OD1-CE1 3.48Å; D137-H248 IonicContact OD2-CE1 3.46Å; D137-H248 PolarHBondContact OD2-CE1 3.01Å; D137-H248 IonicContact OD2-ND1 3.19Å; A244-H248 PolarHBondContact O-N 3.32Å; D245-H248 PolarHBondContact O-N 3.41Å; D245-H248 VanDerWaalsContact O-N 3.16Å; H248-F250 PolarHBondContact O-N 3.1Å; H248-F250 VanDerWaalsContact O-N 3.15Å; H248-T251 PolarHBondContact O-N 3.25Å; H248-T251 PolarHBondContact O-OG1 2.63Å; H248-D252 IonicContact NE2-OD2 3.91Å; H248-D252 PolarHBondContact O-N 3.29Å; H248-H277 AromaticContact NE2-NE2 3.95Å; H248-E278 IonicContact CD2-OE1 3.24Å; H248-E278 PolarHBondContact CD2-OE1 2.91Å; H248-E278 IonicContact NE2-OE1 3.88Å; H248-H281 AromaticContact CE1-NE2 3.97Å; H248-H281 AromaticContact NE2-CD2 3.56Å; H248-H281 AromaticContact NE2-NE2 3.47Å; H248-H281 PolarHBondContact NE2-NE2 3.45Å; H248-T339 HydrophobicContact CB-CG2 3.88Å; H248-F343 HydrophobicContact CB-CE2 3.98Å; H248-F343 HydrophobicContact CB-CZ 3.56Å; H248-F343 AromaticContact CG-CE2 3.76Å; H248-F343 AromaticContact CG-CZ 3.75Å; H248-F343 AromaticContact ND1-CE2 3.7Å |
| 249 | N | 91.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -52.4 | -40.6 | 173 | -97.6 | -63.3 | 0 | 0 | 0 | 111.4 | D245 D252 G253 A310 | D245-N249 VanDerWaalsContact O-CB 3.29Å; D245-N249 WeakPolarHBondContact O-CB 3.43Å; D245-N249 PolarHBondContact O-N 3.16Å; D245-N249 PolarHBondContact OD1-ND2 3.23Å; N249-D252 PolarHBondContact O-N 3.46Å; N249-G253 PolarHBondContact O-N 2.83Å; N249-A310 HydrophobicContact CB-CB 4.15Å; N249-A310 WeakPolarHBondContact O-CA 3.31Å; N249-A310 VanDerWaalsContact O-CB 3.23Å; N249-A310 WeakPolarHBondContact O-CB 3.32Å; N249-A310 PolarHBondContact O-N 3.08Å |
| 250 | F | 90.9 | Very high | 90.8 | Very high | 48 Ų | 48 | 15.8 Ų | 15.8 | 21% | 0.211 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.3 | -44.2 | 175 | 176.9 | -95.3 | 0 | 0 | 0 | 113.6 | F246 A247 H248 D252 G253 L254 G309 M312 I316 | F246-F250 VanDerWaalsContact O-CB 3.28Å; F246-F250 WeakPolarHBondContact O-CB 3.49Å; F246-F250 PolarHBondContact O-N 2.95Å; A247-F250 WeakPolarHBondContact O-CB 3.21Å; H248-F250 PolarHBondContact O-N 3.1Å; H248-F250 VanDerWaalsContact O-N 3.15Å; F250-D252 VanDerWaalsContact C-N 3.34Å; F250-G253 PolarHBondContact O-N 3.48Å; F250-L254 HydrophobicContact CD1-CD1 3.88Å; F250-L254 HydrophobicContact CE1-CD1 3.35Å; F250-L254 HydrophobicContact CE1-CG 4.28Å; F250-L254 HydrophobicContact CZ-CD1 3.82Å; F250-L254 HydrophobicContact CZ-CG 4.38Å; F250-L254 PolarHBondContact O-N 3.17Å; F250-L254 VanDerWaalsContact O-N 3.11Å; F250-G309 WeakPolarHBondContact CA-O 3.41Å; F250-G309 WeakPolarHBondContact CD2-O 3.36Å; F250-M312 HydrophobicContact CD2-CB 4.23Å; F250-M312 HydrophobicContact CE2-CB 4.33Å; F250-I316 HydrophobicContact CE2-CD1 3.81Å; F250-I316 HydrophobicContact CZ-CD1 3.97Å |
| 251 | T | 89.1 | Confident | 90.4 | Very high | 9 Ų | 9 | 17.7 Ų | 17.7 | 6% | 0.055 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.5 | -35.6 | 176.1 | 46.2 | 0 | 0 | 0 | 0 | 112.3 | A247 H248 L254 A255 V335 L336 | A247-T251 PolarHBondContact O-N 3.24Å; A247-T251 PolarHBondContact O-OG1 2.97Å; H248-T251 PolarHBondContact O-N 3.25Å; H248-T251 PolarHBondContact O-OG1 2.63Å; T251-L254 WeakPolarHBondContact O-CB 3.12Å; T251-L254 PolarHBondContact O-N 2.94Å; T251-A255 PolarHBondContact O-N 3.24Å; T251-V335 HydrophobicContact CG2-CB 4.32Å; T251-V335 HydrophobicContact CG2-CG1 3.49Å; T251-V335 VanDerWaalsContact CG2-CG1 3.49Å; T251-L336 HydrophobicContact CG2-CD2 3.95Å; T251-L336 HydrophobicContact CG2-CG 4.48Å |
| 252 | D | 90.8 | Very high | 89.9 | Confident | 6 Ų | 6 | 21.1 Ų | 21.1 | 3% | 0.032 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 176.4 | -76.5 | 22.9 | 0 | 0 | 0 | 111.5 | H248 N249 F250 L254 A255 V256 V274 H277 | H248-D252 IonicContact NE2-OD2 3.91Å; H248-D252 PolarHBondContact O-N 3.29Å; N249-D252 PolarHBondContact O-N 3.46Å; F250-D252 VanDerWaalsContact C-N 3.34Å; D252-L254 VanDerWaalsContact C-N 3.34Å; D252-L254 PolarHBondContact O-N 3.26Å; D252-A255 PolarHBondContact O-N 2.9Å; D252-V256 WeakPolarHBondContact O-CG2 3.46Å; D252-V256 PolarHBondContact O-N 2.73Å; D252-V274 HydrophobicContact CB-CG1 4Å; D252-V274 VanDerWaalsContact OD2-CG1 3.29Å; D252-V274 WeakPolarHBondContact OD2-CG1 3.32Å; D252-H277 IonicContact OD1-NE2 3.88Å; D252-H277 IonicContact OD2-CD2 3.29Å; D252-H277 IonicContact OD2-CE1 2.63Å; D252-H277 IonicContact OD2-NE2 2.97Å; D252-H277 PolarHBondContact OD2-NE2 2.95Å |
| 253 | G | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.3 | -45.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N249 F250 V256 G257 A310 C314 | N249-G253 PolarHBondContact O-N 2.83Å; F250-G253 PolarHBondContact O-N 3.48Å; G253-V256 PolarHBondContact O-N 2.6Å; G253-G257 PolarHBondContact O-N 3.33Å; G253-A310 WeakPolarHBondContact CA-O 3.27Å; G253-C314 VanDerWaalsContact C-N 3.27Å; G253-C314 WeakPolarHBondContact O-CA 3.21Å; G253-C314 WeakPolarHBondContact O-CB 3.36Å; G253-C314 PolarHBondContact O-N 2.97Å |
| 254 | L | 89.2 | Confident | 88.9 | Confident | 13 Ų | 13 | 21.7 Ų | 21.7 | 7% | 0.068 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 175.2 | -76.7 | 165 | 0 | 0 | 0 | 111.3 | F250 T251 D252 G257 A258 G313 I316 S317 I326 A330 | F250-L254 HydrophobicContact CD1-CD1 3.88Å; F250-L254 HydrophobicContact CE1-CD1 3.35Å; F250-L254 HydrophobicContact CE1-CG 4.28Å; F250-L254 HydrophobicContact CZ-CD1 3.82Å; F250-L254 HydrophobicContact CZ-CG 4.38Å; F250-L254 PolarHBondContact O-N 3.17Å; F250-L254 VanDerWaalsContact O-N 3.11Å; T251-L254 WeakPolarHBondContact O-CB 3.12Å; T251-L254 PolarHBondContact O-N 2.94Å; D252-L254 VanDerWaalsContact C-N 3.34Å; D252-L254 PolarHBondContact O-N 3.26Å; L254-G257 PolarHBondContact O-N 2.49Å; L254-A258 VanDerWaalsContact O-CB 3.29Å; L254-A258 WeakPolarHBondContact O-CB 3.41Å; L254-A258 PolarHBondContact O-N 3.19Å; L254-G313 VanDerWaalsContact CD2-O 3.25Å; L254-G313 WeakPolarHBondContact CD2-O 3.28Å; L254-I316 HydrophobicContact CD2-CB 4.23Å; L254-I316 HydrophobicContact CD2-CG2 4.01Å; L254-S317 PolarHBondContact O-OG 3.48Å; L254-I326 HydrophobicContact CD2-CG2 3.87Å; L254-A330 HydrophobicContact CB-CB 4.18Å; L254-A330 HydrophobicContact CD1-CB 3.81Å; L254-A330 HydrophobicContact CG-CB 4.5Å |
| 255 | A | 88 | Confident | 88.6 | Confident | 35 Ų | 35 | 24 Ų | 24 | 29% | 0.289 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T251 D252 A258 S259 T270 | T251-A255 PolarHBondContact O-N 3.24Å; D252-A255 PolarHBondContact O-N 2.9Å; A255-A258 PolarHBondContact O-N 2.74Å; A255-S259 VanDerWaalsContact O-CB 3.29Å; A255-S259 WeakPolarHBondContact O-CB 3.45Å; A255-S259 PolarHBondContact O-N 3.38Å; A255-S259 PolarHBondContact O-OG 3.16Å; A255-T270 HydrophobicContact CB-CG2 4.3Å |
| 256 | V | 90.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.9 | -46.9 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 111 | I98 D252 G253 A258 S259 Y260 T270 V274 | I98-V256 HydrophobicContact CD1-CG2 4.25Å; D252-V256 WeakPolarHBondContact O-CG2 3.46Å; D252-V256 PolarHBondContact O-N 2.73Å; G253-V256 PolarHBondContact O-N 2.6Å; V256-A258 VanDerWaalsContact C-N 3.33Å; V256-A258 PolarHBondContact O-N 3.15Å; V256-S259 WeakPolarHBondContact CA-OG 3.34Å; V256-S259 PolarHBondContact O-OG 2.85Å; V256-Y260 HydrophobicContact CG1-CD2 3.93Å; V256-Y260 HydrophobicContact CG1-CE2 4.01Å; V256-Y260 VanDerWaalsContact O-CD2 3.32Å; V256-Y260 WeakPolarHBondContact O-CD2 3.45Å; V256-Y260 PolarHBondContact O-N 2.67Å; V256-Y260 VanDerWaalsContact O-N 3.15Å; V256-T270 HydrophobicContact CG2-CG2 4.26Å; V256-V274 HydrophobicContact CG2-CG2 4.35Å |
| 257 | G | 89.9 | Confident | 88 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | G253 L254 L261 S317 | G253-G257 PolarHBondContact O-N 3.33Å; L254-G257 PolarHBondContact O-N 2.49Å; G257-L261 WeakPolarHBondContact O-CD1 3.35Å; G257-L261 WeakPolarHBondContact O-CG 3.45Å; G257-L261 PolarHBondContact O-N 3Å; G257-S317 VanDerWaalsContact C-OG 3.25Å |
| 258 | A | 86.8 | Confident | 87.9 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.033 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.4 | -43.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L254 A255 V256 Y260 L261 A262 S317 S327 | L254-A258 VanDerWaalsContact O-CB 3.29Å; L254-A258 WeakPolarHBondContact O-CB 3.41Å; L254-A258 PolarHBondContact O-N 3.19Å; A255-A258 PolarHBondContact O-N 2.74Å; V256-A258 VanDerWaalsContact C-N 3.33Å; V256-A258 PolarHBondContact O-N 3.15Å; A258-Y260 VanDerWaalsContact C-N 3.34Å; A258-Y260 PolarHBondContact O-N 3.41Å; A258-L261 WeakPolarHBondContact O-CB 3.2Å; A258-L261 PolarHBondContact O-N 3.29Å; A258-L261 VanDerWaalsContact O-N 3.15Å; A258-A262 PolarHBondContact O-N 3.38Å; A258-S317 VanDerWaalsContact CA-OG 3.25Å; A258-S317 WeakPolarHBondContact CA-OG 3.28Å; A258-S317 WeakPolarHBondContact CB-OG 3.46Å; A258-S317 PolarHBondContact N-OG 2.75Å; A258-S327 VanDerWaalsContact CB-OG 3.31Å; A258-S327 WeakPolarHBondContact CB-OG 3.23Å |
| 259 | S | 87.2 | Confident | 87.7 | Confident | 9 Ų | 9 | 25.1 Ų | 25.1 | 6% | 0.063 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.1 | -39 | 178.6 | 51.9 | 0 | 0 | 0 | 0 | 111.9 | A255 V256 L261 A262 G263 G267 T270 | A255-S259 VanDerWaalsContact O-CB 3.29Å; A255-S259 WeakPolarHBondContact O-CB 3.45Å; A255-S259 PolarHBondContact O-N 3.38Å; A255-S259 PolarHBondContact O-OG 3.16Å; V256-S259 WeakPolarHBondContact CA-OG 3.34Å; V256-S259 PolarHBondContact O-OG 2.85Å; S259-L261 VanDerWaalsContact C-N 3.32Å; S259-L261 PolarHBondContact O-N 2.84Å; S259-A262 WeakPolarHBondContact O-CB 3.48Å; S259-A262 PolarHBondContact O-N 3.02Å; S259-G263 PolarHBondContact O-N 3.3Å; S259-G267 PolarHBondContact O-N 3.18Å; S259-G267 WeakPolarHBondContact OG-CA 3.31Å; S259-T270 VanDerWaalsContact CB-OG1 3.25Å; S259-T270 WeakPolarHBondContact CB-OG1 3.42Å; S259-T270 WeakPolarHBondContact OG-CB 3.49Å; S259-T270 PolarHBondContact OG-OG1 3.07Å |
| 260 | Y | 89.1 | Confident | 87.5 | Confident | 18 Ų | 18 | 26.8 Ų | 26.8 | 7% | 0.071 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65 | -34.1 | 173.4 | -91.7 | -68.5 | 0 | 0 | 0 | 113.5 | L87 S90 A91 S94 V256 A258 A262 G263 G267 T271 | L87-Y260 VanDerWaalsContact CD1-C 3.43Å; L87-Y260 WeakPolarHBondContact CD1-O 2.99Å; S90-Y260 VanDerWaalsContact CB-CE1 3.48Å; A91-Y260 VanDerWaalsContact CA-CD2 3.48Å; A91-Y260 HydrophobicContact CB-CD2 3.73Å; A91-Y260 HydrophobicContact CB-CG 3.91Å; S94-Y260 WeakPolarHBondContact OG-CE2 3.45Å; S94-Y260 PolarHBondContact OG-OH 3.49Å; V256-Y260 HydrophobicContact CG1-CD2 3.93Å; V256-Y260 HydrophobicContact CG1-CE2 4.01Å; V256-Y260 VanDerWaalsContact O-CD2 3.32Å; V256-Y260 WeakPolarHBondContact O-CD2 3.45Å; V256-Y260 PolarHBondContact O-N 2.67Å; V256-Y260 VanDerWaalsContact O-N 3.15Å; A258-Y260 VanDerWaalsContact C-N 3.34Å; A258-Y260 PolarHBondContact O-N 3.41Å; Y260-A262 VanDerWaalsContact C-N 3.35Å; Y260-G263 PolarHBondContact O-N 2.97Å; Y260-G267 WeakPolarHBondContact CE2-O 3.4Å; Y260-T271 WeakPolarHBondContact CE2-OG1 3.36Å |
| 261 | L | 85.3 | Confident | 87.5 | Confident | 48 Ų | 48 | 24.9 Ų | 24.9 | 25% | 0.251 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -69 | -33.7 | 173.5 | -71.4 | 154 | 0 | 0 | 0 | 112.1 | L87 G257 A258 S259 S317 L318 P323 | L87-L261 HydrophobicContact CD2-CD2 3.57Å; L87-L261 HydrophobicContact CD2-CG 4.34Å; G257-L261 WeakPolarHBondContact O-CD1 3.35Å; G257-L261 WeakPolarHBondContact O-CG 3.45Å; G257-L261 PolarHBondContact O-N 3Å; A258-L261 WeakPolarHBondContact O-CB 3.2Å; A258-L261 PolarHBondContact O-N 3.29Å; A258-L261 VanDerWaalsContact O-N 3.15Å; S259-L261 VanDerWaalsContact C-N 3.32Å; S259-L261 PolarHBondContact O-N 2.84Å; L261-S317 WeakPolarHBondContact CD1-O 3.4Å; L261-L318 HydrophobicContact CD1-CD2 4.25Å; L261-L318 HydrophobicContact CD2-CD2 4.44Å; L261-L318 HydrophobicContact CG-CD2 4.1Å; L261-P323 HydrophobicContact CB-CB 3.14Å; L261-P323 HydrophobicContact CB-CG 3.67Å; L261-P323 HydrophobicContact CD1-CB 3.44Å; L261-P323 VanDerWaalsContact CD1-CB 3.44Å; L261-P323 HydrophobicContact CD2-CB 4.35Å; L261-P323 HydrophobicContact CG-CB 3.78Å |
| 262 | A | 81.3 | Confident | 87.5 | Confident | 71 Ų | 71 | 28.4 Ų | 28.4 | 59% | 0.587 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -69.7 | -34 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A258 S259 Y260 | A258-A262 PolarHBondContact O-N 3.38Å; S259-A262 WeakPolarHBondContact O-CB 3.48Å; S259-A262 PolarHBondContact O-N 3.02Å; Y260-A262 VanDerWaalsContact C-N 3.35Å |
| 263 | G | 81.8 | Confident | 87.3 | Confident | 23 Ų | 23 | 28.7 Ų | 28.7 | 24% | 0.237 | 18% | 0.18 | C | C | . | . | trans | 165.4 | 154 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S259 Y260 T265 V266 G267 | S259-G263 PolarHBondContact O-N 3.3Å; Y260-G263 PolarHBondContact O-N 2.97Å; G263-T265 PolarHBondContact O-N 3.28Å; G263-V266 PolarHBondContact O-N 3.04Å; G263-V266 VanDerWaalsContact O-N 3.16Å; G263-G267 PolarHBondContact O-N 3.2Å | ||
| 264 | N | 84.4 | Confident | 87.3 | Confident | 69 Ų | 69 | 29 Ų | 29 | 37% | 0.369 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -56.1 | -37.7 | -178.1 | -78.2 | 9.8 | 0 | 0 | 0 | 113.5 | A268 | N264-A268 WeakPolarHBondContact O-CB 3.14Å; N264-A268 PolarHBondContact O-N 3.13Å |
| 265 | T | 85.8 | Confident | 87.4 | Confident | 51 Ų | 51 | 29.9 Ų | 29.9 | 31% | 0.313 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.9 | -48.4 | 178.9 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | A59 L63 G263 G267 A268 V269 | A59-T265 HydrophobicContact CB-CG2 3.71Å; L63-T265 HydrophobicContact CD1-CG2 3.54Å; L63-T265 HydrophobicContact CD2-CG2 4.19Å; L63-T265 HydrophobicContact CG-CG2 3.88Å; G263-T265 PolarHBondContact O-N 3.28Å; T265-G267 VanDerWaalsContact C-N 3.33Å; T265-G267 PolarHBondContact O-N 2.9Å; T265-A268 PolarHBondContact O-N 3.4Å; T265-V269 WeakPolarHBondContact O-CG2 2.96Å; T265-V269 PolarHBondContact O-N 3.32Å |
| 266 | V | 83.2 | Confident | 87.4 | Confident | 72 Ų | 72 | 29.5 Ų | 29.5 | 44% | 0.436 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.8 | -49.1 | 177.1 | -173.5 | 0 | 0 | 0 | 0 | 109.1 | G263 A268 V269 T270 | G263-V266 PolarHBondContact O-N 3.04Å; G263-V266 VanDerWaalsContact O-N 3.16Å; V266-A268 VanDerWaalsContact C-N 3.35Å; V266-A268 PolarHBondContact O-N 3.09Å; V266-V269 PolarHBondContact O-N 3.31Å; V266-T270 PolarHBondContact O-N 3.34Å; V266-T270 PolarHBondContact O-OG1 3.24Å; V266-T270 VanDerWaalsContact O-OG1 3.1Å |
| 267 | G | 88.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S259 Y260 G263 T265 T271 | S259-G267 PolarHBondContact O-N 3.18Å; S259-G267 WeakPolarHBondContact OG-CA 3.31Å; Y260-G267 WeakPolarHBondContact CE2-O 3.4Å; G263-G267 PolarHBondContact O-N 3.2Å; T265-G267 VanDerWaalsContact C-N 3.33Å; T265-G267 PolarHBondContact O-N 2.9Å; G267-T271 WeakPolarHBondContact O-CB 3.02Å; G267-T271 PolarHBondContact O-N 3.47Å; G267-T271 PolarHBondContact O-OG1 3.13Å |
| 268 | A | 89.1 | Confident | 87.4 | Confident | 24 Ų | 24 | 29.7 Ų | 29.7 | 20% | 0.198 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.8 | -39.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F62 N264 T265 V266 T271 F272 | F62-A268 HydrophobicContact CE1-CB 4.15Å; N264-A268 WeakPolarHBondContact O-CB 3.14Å; N264-A268 PolarHBondContact O-N 3.13Å; T265-A268 PolarHBondContact O-N 3.4Å; V266-A268 VanDerWaalsContact C-N 3.35Å; V266-A268 PolarHBondContact O-N 3.09Å; A268-T271 PolarHBondContact O-N 3.21Å; A268-F272 PolarHBondContact O-N 2.88Å |
| 269 | V | 86.3 | Confident | 87.5 | Confident | 28 Ų | 28 | 30.1 Ų | 30.1 | 17% | 0.17 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.4 | -52.2 | 174.9 | 172.9 | 0 | 0 | 0 | 0 | 109.9 | A59 T265 V266 T271 F272 T273 | A59-V269 HydrophobicContact CB-CG2 3.88Å; T265-V269 WeakPolarHBondContact O-CG2 2.96Å; T265-V269 PolarHBondContact O-N 3.32Å; V266-V269 PolarHBondContact O-N 3.31Å; V269-T271 VanDerWaalsContact C-N 3.28Å; V269-T271 PolarHBondContact O-N 3.43Å; V269-F272 WeakPolarHBondContact O-CB 3.41Å; V269-F272 PolarHBondContact O-N 2.91Å; V269-T273 PolarHBondContact O-N 3.3Å; V269-T273 PolarHBondContact O-OG1 2.71Å |
| 270 | T | 88.1 | Confident | 87.7 | Confident | 35 Ų | 35 | 29.8 Ų | 29.8 | 22% | 0.215 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.5 | -43.2 | 176.6 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | A255 V256 S259 V266 F272 T273 V274 | A255-T270 HydrophobicContact CB-CG2 4.3Å; V256-T270 HydrophobicContact CG2-CG2 4.26Å; S259-T270 VanDerWaalsContact CB-OG1 3.25Å; S259-T270 WeakPolarHBondContact CB-OG1 3.42Å; S259-T270 WeakPolarHBondContact OG-CB 3.49Å; S259-T270 PolarHBondContact OG-OG1 3.07Å; V266-T270 PolarHBondContact O-N 3.34Å; V266-T270 PolarHBondContact O-OG1 3.24Å; V266-T270 VanDerWaalsContact O-OG1 3.1Å; T270-F272 PolarHBondContact O-N 3.14Å; T270-T273 PolarHBondContact O-N 3.21Å; T270-V274 HydrophobicContact CG2-CG2 4.26Å; T270-V274 WeakPolarHBondContact O-CB 3.24Å; T270-V274 VanDerWaalsContact O-CG2 3.28Å; T270-V274 WeakPolarHBondContact O-CG2 3.31Å; T270-V274 PolarHBondContact O-N 2.7Å |
| 271 | T | 91.4 | Very high | 87.8 | Confident | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.043 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.2 | -47.3 | 175.7 | -59.8 | 0 | 0 | 0 | 0 | 112 | S94 I98 Y260 G267 A268 V269 T273 L275 | S94-T271 VanDerWaalsContact CB-CG2 3.45Å; S94-T271 WeakPolarHBondContact CB-OG1 3.43Å; S94-T271 PolarHBondContact OG-OG1 3.23Å; I98-T271 HydrophobicContact CG2-CG2 3.77Å; I98-T271 WeakPolarHBondContact CG2-O 3.5Å; Y260-T271 WeakPolarHBondContact CE2-OG1 3.36Å; G267-T271 WeakPolarHBondContact O-CB 3.02Å; G267-T271 PolarHBondContact O-N 3.47Å; G267-T271 PolarHBondContact O-OG1 3.13Å; A268-T271 PolarHBondContact O-N 3.21Å; V269-T271 VanDerWaalsContact C-N 3.28Å; V269-T271 PolarHBondContact O-N 3.43Å; T271-T273 VanDerWaalsContact C-N 3.33Å; T271-L275 VanDerWaalsContact O-CB 3.3Å; T271-L275 WeakPolarHBondContact O-CB 3.16Å; T271-L275 PolarHBondContact O-N 2.9Å |
| 272 | F | 89.5 | Confident | 88.1 | Confident | 84 Ų | 84 | 26.8 Ų | 26.8 | 37% | 0.368 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.6 | -42.7 | -179.2 | 177.5 | -104 | 0 | 0 | 0 | 111.2 | F62 A268 V269 T270 L275 L276 | F62-F272 HydrophobicContact CE2-CD2 4.33Å; F62-F272 HydrophobicContact CE2-CG 4.32Å; A268-F272 PolarHBondContact O-N 2.88Å; V269-F272 WeakPolarHBondContact O-CB 3.41Å; V269-F272 PolarHBondContact O-N 2.91Å; T270-F272 PolarHBondContact O-N 3.14Å; F272-L275 WeakPolarHBondContact O-CB 3.49Å; F272-L275 PolarHBondContact O-N 3.45Å; F272-L276 HydrophobicContact CD1-CD1 4.03Å; F272-L276 HydrophobicContact CE1-CD1 3.44Å; F272-L276 VanDerWaalsContact CE1-CD1 3.44Å; F272-L276 HydrophobicContact CE1-CG 4.13Å; F272-L276 HydrophobicContact CZ-CD1 3.77Å; F272-L276 HydrophobicContact CZ-CD2 4.21Å; F272-L276 HydrophobicContact CZ-CG 4.12Å; F272-L276 WeakPolarHBondContact O-CG 3.38Å; F272-L276 PolarHBondContact O-N 3.22Å; F272-L276 VanDerWaalsContact O-N 3.09Å |
| 273 | T | 87 | Confident | 88.6 | Confident | 11 Ų | 11 | 24.1 Ų | 24.1 | 7% | 0.067 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.5 | -46.7 | -179.1 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | V269 T270 T271 L275 L276 H277 E385 | V269-T273 PolarHBondContact O-N 3.3Å; V269-T273 PolarHBondContact O-OG1 2.71Å; T270-T273 PolarHBondContact O-N 3.21Å; T271-T273 VanDerWaalsContact C-N 3.33Å; T273-L275 VanDerWaalsContact C-N 3.32Å; T273-L275 PolarHBondContact O-N 3.25Å; T273-L276 WeakPolarHBondContact O-CB 3.47Å; T273-L276 PolarHBondContact O-N 2.94Å; T273-H277 PolarHBondContact O-N 2.94Å; T273-E385 HydrophobicContact CG2-CB 4.11Å; T273-E385 HydrophobicContact CG2-CG 2.97Å |
| 274 | V | 90.6 | Very high | 89 | Confident | 6 Ų | 6 | 23 Ų | 23 | 4% | 0.036 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.9 | -46.2 | 172 | 166.1 | 0 | 0 | 0 | 0 | 111.2 | I98 D252 V256 T270 L276 H277 E278 | I98-V274 HydrophobicContact CB-CG1 4.19Å; I98-V274 HydrophobicContact CD1-CG1 3.49Å; I98-V274 VanDerWaalsContact CD1-CG1 3.49Å; I98-V274 HydrophobicContact CG1-CG1 4.41Å; I98-V274 HydrophobicContact CG2-CG1 4.1Å; D252-V274 HydrophobicContact CB-CG1 4Å; D252-V274 VanDerWaalsContact OD2-CG1 3.29Å; D252-V274 WeakPolarHBondContact OD2-CG1 3.32Å; V256-V274 HydrophobicContact CG2-CG2 4.35Å; T270-V274 HydrophobicContact CG2-CG2 4.26Å; T270-V274 WeakPolarHBondContact O-CB 3.24Å; T270-V274 VanDerWaalsContact O-CG2 3.28Å; T270-V274 WeakPolarHBondContact O-CG2 3.31Å; T270-V274 PolarHBondContact O-N 2.7Å; V274-L276 PolarHBondContact O-N 3.41Å; V274-L276 VanDerWaalsContact O-N 3.16Å; V274-H277 PolarHBondContact O-CD2 3.23Å; V274-H277 PolarHBondContact O-N 2.98Å; V274-E278 HydrophobicContact CG1-CG 3.93Å; V274-E278 WeakPolarHBondContact O-CB 3.32Å; V274-E278 VanDerWaalsContact O-CG 3.3Å; V274-E278 WeakPolarHBondContact O-CG 3.22Å; V274-E278 PolarHBondContact O-N 2.97Å |
| 275 | L | 90.9 | Very high | 89.4 | Confident | 33 Ų | 33 | 19.8 Ų | 19.8 | 17% | 0.173 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.2 | -36.7 | 177 | -172.7 | 146.8 | 0 | 0 | 0 | 112.2 | L97 I98 A101 T271 F272 T273 V279 | L97-L275 HydrophobicContact CD2-CD1 4.45Å; L97-L275 HydrophobicContact CG-CD1 4.12Å; I98-L275 HydrophobicContact CG2-CB 4Å; A101-L275 HydrophobicContact CB-CD1 3.87Å; A101-L275 HydrophobicContact CB-CG 4.45Å; T271-L275 VanDerWaalsContact O-CB 3.3Å; T271-L275 WeakPolarHBondContact O-CB 3.16Å; T271-L275 PolarHBondContact O-N 2.9Å; F272-L275 WeakPolarHBondContact O-CB 3.49Å; F272-L275 PolarHBondContact O-N 3.45Å; T273-L275 VanDerWaalsContact C-N 3.32Å; T273-L275 PolarHBondContact O-N 3.25Å; L275-V279 WeakPolarHBondContact O-CG2 3.44Å; L275-V279 PolarHBondContact O-N 2.74Å |
| 276 | L | 88.8 | Confident | 89.7 | Confident | 27 Ų | 27 | 17.3 Ų | 17.3 | 14% | 0.141 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.2 | -38 | -179.3 | -72.2 | 178 | 0 | 0 | 0 | 112.9 | F272 T273 V274 P280 I381 L384 | F272-L276 HydrophobicContact CD1-CD1 4.03Å; F272-L276 HydrophobicContact CE1-CD1 3.44Å; F272-L276 VanDerWaalsContact CE1-CD1 3.44Å; F272-L276 HydrophobicContact CE1-CG 4.13Å; F272-L276 HydrophobicContact CZ-CD1 3.77Å; F272-L276 HydrophobicContact CZ-CD2 4.21Å; F272-L276 HydrophobicContact CZ-CG 4.12Å; F272-L276 WeakPolarHBondContact O-CG 3.38Å; F272-L276 PolarHBondContact O-N 3.22Å; F272-L276 VanDerWaalsContact O-N 3.09Å; T273-L276 WeakPolarHBondContact O-CB 3.47Å; T273-L276 PolarHBondContact O-N 2.94Å; V274-L276 PolarHBondContact O-N 3.41Å; V274-L276 VanDerWaalsContact O-N 3.16Å; L276-P280 WeakPolarHBondContact O-CD 3.36Å; L276-I381 HydrophobicContact CB-CD1 4.43Å; L276-I381 HydrophobicContact CB-CG1 4.14Å; L276-I381 HydrophobicContact CB-CG2 4.36Å; L276-I381 VanDerWaalsContact O-CD1 3.31Å; L276-I381 WeakPolarHBondContact O-CD1 3.3Å; L276-L384 HydrophobicContact CD1-CD1 3.72Å |
| 277 | H | 90.2 | Very high | 90.2 | Very high | 3 Ų | 3 | 13.9 Ų | 13.9 | 1% | 0.014 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -81.4 | -26 | 174.6 | 61.7 | -134 | 0 | 0 | 0 | 114.2 | H248 D252 T273 V274 V279 P280 H281 M378 I381 E385 | H248-H277 AromaticContact NE2-NE2 3.95Å; D252-H277 IonicContact OD1-NE2 3.88Å; D252-H277 IonicContact OD2-CD2 3.29Å; D252-H277 IonicContact OD2-CE1 2.63Å; D252-H277 IonicContact OD2-NE2 2.97Å; D252-H277 PolarHBondContact OD2-NE2 2.95Å; T273-H277 PolarHBondContact O-N 2.94Å; V274-H277 PolarHBondContact O-CD2 3.23Å; V274-H277 PolarHBondContact O-N 2.98Å; H277-V279 VanDerWaalsContact C-N 3.27Å; H277-V279 PolarHBondContact O-N 2.94Å; H277-P280 VanDerWaalsContact O-CD 3.3Å; H277-P280 WeakPolarHBondContact O-CD 3.28Å; H277-H281 PolarHBondContact O-CD2 3.39Å; H277-H281 PolarHBondContact O-N 2.96Å; H277-M378 HydrophobicContact CB-CE 4.46Å; H277-I381 HydrophobicContact CB-CD1 4.16Å; H277-I381 HydrophobicContact CB-CG2 3.87Å; H277-E385 IonicContact CE1-OE1 3.65Å; H277-E385 PolarHBondContact CE1-OE1 3.32Å; H277-E385 IonicContact ND1-OE1 3.98Å; H277-E385 PolarHBondContact ND1-OE1 2.88Å |
| 278 | E | 90.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.7 | -33.9 | 175.1 | -80.1 | -61.7 | 153.8 | 0 | 0 | 111.5 | P102 H248 V274 H281 E282 | P102-E278 HydrophobicContact CG-CB 4.1Å; H248-E278 IonicContact CD2-OE1 3.24Å; H248-E278 PolarHBondContact CD2-OE1 2.91Å; H248-E278 IonicContact NE2-OE1 3.88Å; V274-E278 HydrophobicContact CG1-CG 3.93Å; V274-E278 WeakPolarHBondContact O-CB 3.32Å; V274-E278 VanDerWaalsContact O-CG 3.3Å; V274-E278 WeakPolarHBondContact O-CG 3.22Å; V274-E278 PolarHBondContact O-N 2.97Å; E278-H281 PolarHBondContact O-N 2.89Å; E278-E282 VanDerWaalsContact O-CB 3.25Å; E278-E282 WeakPolarHBondContact O-CB 3.31Å; E278-E282 VanDerWaalsContact O-CG 3.32Å; E278-E282 WeakPolarHBondContact O-CG 2.92Å; E278-E282 PolarHBondContact O-N 2.72Å |
| 279 | V | 89.4 | Confident | 90.5 | Very high | 13 Ų | 13 | 13.1 Ų | 13.1 | 8% | 0.079 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.8 | -52.9 | 178.9 | 168 | 0 | 0 | 0 | 0 | 112.4 | P102 L105 L275 H277 I283 | P102-V279 HydrophobicContact CB-CG2 4.46Å; P102-V279 HydrophobicContact CG-CG2 4.16Å; L105-V279 HydrophobicContact CD1-CB 4.32Å; L105-V279 HydrophobicContact CD1-CG1 3.64Å; L105-V279 HydrophobicContact CD1-CG2 3.67Å; L275-V279 WeakPolarHBondContact O-CG2 3.44Å; L275-V279 PolarHBondContact O-N 2.74Å; H277-V279 VanDerWaalsContact C-N 3.27Å; H277-V279 PolarHBondContact O-N 2.94Å; V279-I283 HydrophobicContact CG1-CD1 4.02Å; V279-I283 WeakPolarHBondContact O-CD1 3.3Å; V279-I283 WeakPolarHBondContact O-CG1 3.3Å; V279-I283 PolarHBondContact O-N 3.43Å |
| 280 | P | 90.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.013 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -57.1 | -43.4 | 171.8 | -31.3 | 38.1 | 0 | 0 | 0 | 114.6 | F129 L276 H277 I283 G284 M377 M378 I381 | F129-P280 HydrophobicContact CE1-CB 4.12Å; F129-P280 HydrophobicContact CZ-CB 3.82Å; F129-P280 HydrophobicContact CZ-CG 4.39Å; L276-P280 WeakPolarHBondContact O-CD 3.36Å; H277-P280 VanDerWaalsContact O-CD 3.3Å; H277-P280 WeakPolarHBondContact O-CD 3.28Å; P280-I283 PolarHBondContact O-N 3.23Å; P280-G284 PolarHBondContact O-N 3.32Å; P280-M377 HydrophobicContact CG-CB 4.46Å; P280-M377 HydrophobicContact CG-CE 4.22Å; P280-M378 HydrophobicContact CB-CE 3.36Å; P280-M378 HydrophobicContact CG-CE 3.45Å; P280-M378 VanDerWaalsContact CG-CE 3.45Å; P280-I381 HydrophobicContact CG-CD1 4.2Å |
| 281 | H | 91.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.1 | -51.5 | -179.9 | -76.8 | -57 | 0 | 0 | 0 | 111.8 | D137 H248 H277 E278 I283 G284 D285 | D137-H281 WeakPolarHBondContact CB-CE1 3.32Å; D137-H281 WeakPolarHBondContact CB-NE2 3.25Å; D137-H281 VanDerWaalsContact CG-CE1 3.42Å; D137-H281 IonicContact OD1-NE2 3.43Å; D137-H281 PolarHBondContact OD1-NE2 2.81Å; D137-H281 IonicContact OD2-CE1 3.45Å; D137-H281 PolarHBondContact OD2-CE1 3.15Å; D137-H281 IonicContact OD2-NE2 2.79Å; D137-H281 PolarHBondContact OD2-NE2 3.22Å; H248-H281 AromaticContact CE1-NE2 3.97Å; H248-H281 AromaticContact NE2-CD2 3.56Å; H248-H281 AromaticContact NE2-NE2 3.47Å; H248-H281 PolarHBondContact NE2-NE2 3.45Å; H277-H281 PolarHBondContact O-CD2 3.39Å; H277-H281 PolarHBondContact O-N 2.96Å; E278-H281 PolarHBondContact O-N 2.89Å; H281-I283 VanDerWaalsContact C-N 3.27Å; H281-I283 PolarHBondContact O-N 3.11Å; H281-G284 CarbonylContact O-C 3.58Å; H281-G284 WeakPolarHBondContact O-CA 3.46Å; H281-G284 PolarHBondContact O-N 3.35Å; H281-D285 WeakPolarHBondContact O-CB 3.39Å; H281-D285 PolarHBondContact O-N 3.25Å |
| 282 | E | 91.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.009 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.8 | -32.6 | 179.5 | -77.5 | -90.6 | -167.1 | 0 | 0 | 113.2 | P102 E278 F286 Q303 | P102-E282 HydrophobicContact CB-CB 3.48Å; P102-E282 VanDerWaalsContact CB-CB 3.48Å; P102-E282 HydrophobicContact CB-CG 3.47Å; P102-E282 VanDerWaalsContact CB-CG 3.47Å; P102-E282 HydrophobicContact CG-CB 4.42Å; P102-E282 HydrophobicContact CG-CG 4.01Å; E278-E282 VanDerWaalsContact O-CB 3.25Å; E278-E282 WeakPolarHBondContact O-CB 3.31Å; E278-E282 VanDerWaalsContact O-CG 3.32Å; E278-E282 WeakPolarHBondContact O-CG 2.92Å; E278-E282 PolarHBondContact O-N 2.72Å; E282-F286 WeakPolarHBondContact O-CB 3.34Å; E282-F286 PolarHBondContact O-N 3.33Å; E282-F286 VanDerWaalsContact O-N 3.09Å; E282-Q303 PolarHBondContact O-NE2 3.05Å; E282-Q303 PolarHBondContact O-OE1 2.84Å; E282-Q303 WeakPolarHBondContact OE2-CB 3.28Å; E282-Q303 PolarHBondContact OE2-NE2 3.01Å |
| 283 | I | 90.9 | Very high | 90.6 | Very high | 15 Ų | 15 | 10.8 Ų | 10.8 | 8% | 0.077 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67 | -41.8 | 171.3 | -69.1 | 170.5 | 0 | 0 | 0 | 110.7 | L106 I109 L126 F129 V279 P280 H281 A287 | L106-I283 HydrophobicContact CD2-CG1 4.25Å; I109-I283 HydrophobicContact CD1-CG1 4.05Å; I109-I283 HydrophobicContact CD1-CG2 4.2Å; L126-I283 HydrophobicContact CD2-CG2 3.82Å; F129-I283 HydrophobicContact CD1-CG2 3.92Å; F129-I283 HydrophobicContact CE1-CB 4.07Å; F129-I283 HydrophobicContact CE1-CG2 3.85Å; V279-I283 HydrophobicContact CG1-CD1 4.02Å; V279-I283 WeakPolarHBondContact O-CD1 3.3Å; V279-I283 WeakPolarHBondContact O-CG1 3.3Å; V279-I283 PolarHBondContact O-N 3.43Å; P280-I283 PolarHBondContact O-N 3.23Å; H281-I283 VanDerWaalsContact C-N 3.27Å; H281-I283 PolarHBondContact O-N 3.11Å; I283-A287 PolarHBondContact O-N 3.15Å |
| 284 | G | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.6 | -49 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | P280 H281 F286 A287 I288 | P280-G284 PolarHBondContact O-N 3.32Å; H281-G284 CarbonylContact O-C 3.58Å; H281-G284 WeakPolarHBondContact O-CA 3.46Å; H281-G284 PolarHBondContact O-N 3.35Å; G284-F286 VanDerWaalsContact C-N 3.27Å; G284-F286 PolarHBondContact O-N 3.45Å; G284-A287 WeakPolarHBondContact O-CA 3.41Å; G284-A287 VanDerWaalsContact O-CB 3.32Å; G284-A287 WeakPolarHBondContact O-CB 3.06Å; G284-A287 PolarHBondContact O-N 3.46Å; G284-I288 WeakPolarHBondContact O-CG1 3.19Å; G284-I288 PolarHBondContact O-N 2.96Å |
| 285 | D | 92.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60 | -39.4 | 177.6 | -72.8 | -4.3 | 0 | 0 | 0 | 111.3 | N241 D245 H281 A287 I288 L289 | N241-D285 WeakPolarHBondContact ND2-CA 3.28Å; N241-D285 VanDerWaalsContact ND2-CB 3.32Å; N241-D285 WeakPolarHBondContact ND2-CB 3.41Å; N241-D285 PolarHBondContact ND2-OD1 3.31Å; N241-D285 PolarHBondContact ND2-OD2 3Å; N241-D285 PolarHBondContact OD1-OD1 3.4Å; D245-D285 WeakPolarHBondContact CB-OD2 3.28Å; H281-D285 WeakPolarHBondContact O-CB 3.39Å; H281-D285 PolarHBondContact O-N 3.25Å; D285-A287 VanDerWaalsContact C-N 3.29Å; D285-A287 PolarHBondContact O-N 3.22Å; D285-I288 PolarHBondContact O-N 2.76Å; D285-I288 VanDerWaalsContact O-N 3.16Å; D285-L289 WeakPolarHBondContact O-CB 3.2Å; D285-L289 WeakPolarHBondContact O-CG 3.34Å; D285-L289 PolarHBondContact O-N 3.3Å |
| 286 | F | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 176 | 172.9 | -109.7 | 0 | 0 | 0 | 110.8 | L106 I109 L111 E282 G284 L289 V290 K296 A299 M300 Q303 | L106-F286 HydrophobicContact CD1-CB 4.23Å; L106-F286 HydrophobicContact CD1-CD2 4.44Å; L106-F286 HydrophobicContact CD1-CG 4.44Å; L106-F286 HydrophobicContact CD2-CB 3.81Å; L106-F286 HydrophobicContact CD2-CD1 4.17Å; L106-F286 HydrophobicContact CD2-CG 3.98Å; I109-F286 HydrophobicContact CB-CE1 4.25Å; I109-F286 HydrophobicContact CD1-CD1 4.35Å; I109-F286 HydrophobicContact CG2-CD1 4.48Å; I109-F286 HydrophobicContact CG2-CE1 4Å; L111-F286 HydrophobicContact CB-CE1 3.91Å; L111-F286 HydrophobicContact CB-CZ 4.19Å; L111-F286 HydrophobicContact CD1-CD1 4Å; L111-F286 HydrophobicContact CD1-CE1 3.53Å; L111-F286 HydrophobicContact CD1-CZ 4.43Å; L111-F286 HydrophobicContact CG-CE1 4.2Å; E282-F286 WeakPolarHBondContact O-CB 3.34Å; E282-F286 PolarHBondContact O-N 3.33Å; E282-F286 VanDerWaalsContact O-N 3.09Å; G284-F286 VanDerWaalsContact C-N 3.27Å; G284-F286 PolarHBondContact O-N 3.45Å; F286-L289 PolarHBondContact O-N 2.91Å; F286-V290 HydrophobicContact CD2-CG2 4.21Å; F286-V290 HydrophobicContact CE1-CG2 4.23Å; F286-V290 HydrophobicContact CE2-CG2 3.76Å; F286-V290 HydrophobicContact CZ-CG2 3.76Å; F286-V290 WeakPolarHBondContact O-CB 3.31Å; F286-V290 VanDerWaalsContact O-CG2 3.28Å; F286-V290 WeakPolarHBondContact O-CG2 3.43Å; F286-V290 PolarHBondContact O-N 3.11Å; F286-K296 HydrophobicContact CE2-CB 4.39Å; F286-K296 HydrophobicContact CE2-CG 3.94Å; F286-K296 HydrophobicContact CZ-CB 4.25Å; F286-K296 HydrophobicContact CZ-CD 4.15Å; F286-K296 HydrophobicContact CZ-CG 3.77Å; F286-A299 HydrophobicContact CD2-CB 3.72Å; F286-A299 HydrophobicContact CE2-CB 3.83Å; F286-M300 HydrophobicContact CD2-CG 4.07Å; F286-M300 HydrophobicContact CE2-CG 3.83Å; F286-Q303 VanDerWaalsContact CA-OE1 3.31Å |
| 287 | A | 91.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L123 L126 L127 I283 G284 D285 V290 Q291 | L123-A287 HydrophobicContact CD1-CB 4.19Å; L123-A287 WeakPolarHBondContact CD1-O 3.21Å; L126-A287 HydrophobicContact CB-CB 3.7Å; L127-A287 HydrophobicContact CD2-CB 4.12Å; L127-A287 HydrophobicContact CG-CB 4.33Å; I283-A287 PolarHBondContact O-N 3.15Å; G284-A287 WeakPolarHBondContact O-CA 3.41Å; G284-A287 VanDerWaalsContact O-CB 3.32Å; G284-A287 WeakPolarHBondContact O-CB 3.06Å; G284-A287 PolarHBondContact O-N 3.46Å; D285-A287 VanDerWaalsContact C-N 3.29Å; D285-A287 PolarHBondContact O-N 3.22Å; A287-V290 PolarHBondContact O-N 3.31Å; A287-Q291 VanDerWaalsContact O-CB 3.29Å; A287-Q291 WeakPolarHBondContact O-CB 3.33Å; A287-Q291 PolarHBondContact O-N 3.01Å |
| 288 | I | 92.4 | Very high | 90.4 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 177.8 | -63.2 | 162.2 | 0 | 0 | 0 | 110.7 | L127 A130 L134 N241 G284 D285 Q291 S292 I346 I351 | L127-I288 HydrophobicContact CD2-CG1 3.85Å; A130-I288 HydrophobicContact CB-CD1 4.34Å; L134-I288 HydrophobicContact CD1-CD1 4.02Å; N241-I288 HydrophobicContact CB-CG2 3.86Å; N241-I288 WeakPolarHBondContact OD1-CD1 3Å; G284-I288 WeakPolarHBondContact O-CG1 3.19Å; G284-I288 PolarHBondContact O-N 2.96Å; D285-I288 PolarHBondContact O-N 2.76Å; D285-I288 VanDerWaalsContact O-N 3.16Å; I288-Q291 WeakPolarHBondContact O-CB 3.37Å; I288-Q291 PolarHBondContact O-N 2.76Å; I288-S292 PolarHBondContact O-N 3.43Å; I288-I346 HydrophobicContact CD1-CG2 4.13Å; I288-I351 HydrophobicContact CD1-CD1 3.5Å; I288-I351 VanDerWaalsContact CD1-CD1 3.5Å; I288-I351 HydrophobicContact CD1-CG1 4.32Å; I288-I351 HydrophobicContact CG1-CD1 3.84Å; I288-I351 HydrophobicContact CG1-CG1 4.27Å |
| 289 | L | 92.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.7 | -41.5 | 176.8 | -72.3 | 171.2 | 0 | 0 | 0 | 112.4 | L242 D285 F286 Q291 S292 C294 A299 L302 Q303 | L242-L289 HydrophobicContact CD1-CD2 3.99Å; L242-L289 HydrophobicContact CD2-CD1 3.99Å; L242-L289 HydrophobicContact CD2-CD2 4.07Å; L242-L289 HydrophobicContact CG-CD2 3.92Å; D285-L289 WeakPolarHBondContact O-CB 3.2Å; D285-L289 WeakPolarHBondContact O-CG 3.34Å; D285-L289 PolarHBondContact O-N 3.3Å; F286-L289 PolarHBondContact O-N 2.91Å; L289-Q291 VanDerWaalsContact C-N 3.33Å; L289-S292 WeakPolarHBondContact O-CB 3.48Å; L289-S292 PolarHBondContact O-N 3.44Å; L289-S292 PolarHBondContact O-OG 3.01Å; L289-C294 VanDerWaalsContact O-CB 3.27Å; L289-C294 WeakPolarHBondContact O-CB 3.23Å; L289-C294 PolarHBondContact O-N 3.05Å; L289-C294 VanDerWaalsContact O-N 3.16Å; L289-A299 HydrophobicContact CB-CB 3.61Å; L289-A299 HydrophobicContact CD1-CB 4.27Å; L289-A299 WeakPolarHBondContact CD1-O 3.5Å; L289-L302 HydrophobicContact CD1-CB 4.17Å; L289-L302 HydrophobicContact CD2-CD1 4.18Å; L289-Q303 HydrophobicContact CD1-CG 3.69Å |
| 290 | V | 90.9 | Very high | 90.4 | Very high | 13 Ų | 13 | 21.5 Ų | 21.5 | 8% | 0.079 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 173.8 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | L123 F286 A287 S292 G293 A299 | L123-V290 HydrophobicContact CD1-CB 4.27Å; L123-V290 HydrophobicContact CD1-CG1 4.08Å; L123-V290 HydrophobicContact CD2-CG1 4.35Å; F286-V290 HydrophobicContact CD2-CG2 4.21Å; F286-V290 HydrophobicContact CE1-CG2 4.23Å; F286-V290 HydrophobicContact CE2-CG2 3.76Å; F286-V290 HydrophobicContact CZ-CG2 3.76Å; F286-V290 WeakPolarHBondContact O-CB 3.31Å; F286-V290 VanDerWaalsContact O-CG2 3.28Å; F286-V290 WeakPolarHBondContact O-CG2 3.43Å; F286-V290 PolarHBondContact O-N 3.11Å; A287-V290 PolarHBondContact O-N 3.31Å; V290-S292 VanDerWaalsContact C-N 3.26Å; V290-S292 PolarHBondContact O-N 2.89Å; V290-G293 PolarHBondContact O-N 2.91Å; V290-A299 HydrophobicContact CG2-CB 4.02Å |
| 291 | Q | 89.5 | Confident | 90.5 | Very high | 20 Ų | 20 | 26.1 Ų | 26.1 | 9% | 0.093 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.5 | -33.9 | 174.3 | -178 | 67.6 | 24.8 | 0 | 0 | 112.1 | L123 L127 R234 A287 I288 L289 G293 E354 | L123-Q291 HydrophobicContact CD2-CB 4.42Å; L127-Q291 HydrophobicContact CD1-CB 4.18Å; L127-Q291 HydrophobicContact CD1-CG 3.96Å; L127-Q291 HydrophobicContact CD2-CB 4.25Å; R234-Q291 WeakPolarHBondContact CD-O 3.48Å; R234-Q291 HydrophobicContact CG-CG 4.2Å; A287-Q291 VanDerWaalsContact O-CB 3.29Å; A287-Q291 WeakPolarHBondContact O-CB 3.33Å; A287-Q291 PolarHBondContact O-N 3.01Å; I288-Q291 WeakPolarHBondContact O-CB 3.37Å; I288-Q291 PolarHBondContact O-N 2.76Å; L289-Q291 VanDerWaalsContact C-N 3.33Å; Q291-G293 PolarHBondContact O-N 3.44Å; Q291-G293 VanDerWaalsContact O-N 3.11Å; Q291-E354 PolarHBondContact NE2-OE1 2.99Å; Q291-E354 PolarHBondContact NE2-OE2 3.44Å; Q291-E354 VanDerWaalsContact NE2-OE2 3.17Å |
| 292 | S | 89.1 | Confident | 90.5 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 8% | 0.084 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -10.4 | 174.4 | 86.6 | 0 | 0 | 0 | 0 | 114.1 | R234 K235 I288 L289 V290 C294 | R234-S292 WeakPolarHBondContact O-CA 3.5Å; R234-S292 WeakPolarHBondContact O-CB 3.34Å; K235-S292 WeakPolarHBondContact CG-O 3.28Å; I288-S292 PolarHBondContact O-N 3.43Å; L289-S292 WeakPolarHBondContact O-CB 3.48Å; L289-S292 PolarHBondContact O-N 3.44Å; L289-S292 PolarHBondContact O-OG 3.01Å; V290-S292 VanDerWaalsContact C-N 3.26Å; V290-S292 PolarHBondContact O-N 2.89Å; S292-C294 PolarHBondContact OG-SG 3.33Å |
| 293 | G | 87.7 | Confident | 90.4 | Very high | 59 Ų | 59 | 28.1 Ų | 28.1 | 61% | 0.608 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.8 | 10.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | V290 Q291 | V290-G293 PolarHBondContact O-N 2.91Å; Q291-G293 PolarHBondContact O-N 3.44Å; Q291-G293 VanDerWaalsContact O-N 3.11Å |
| 294 | C | 87.4 | Confident | 90.3 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 8% | 0.081 | 18% | 0.179 | C | C | . | . | trans | -70.7 | 142.6 | 171.9 | -67.7 | 0 | 0 | 0 | 0 | 110.7 | L289 S292 K298 A299 | L289-C294 VanDerWaalsContact O-CB 3.27Å; L289-C294 WeakPolarHBondContact O-CB 3.23Å; L289-C294 PolarHBondContact O-N 3.05Å; L289-C294 VanDerWaalsContact O-N 3.16Å; S292-C294 PolarHBondContact OG-SG 3.33Å; C294-K298 HydrophobicContact CB-CB 4.25Å; C294-K298 HydrophobicContact CB-CD 4.26Å; C294-K298 HydrophobicContact CB-CG 4.25Å; C294-A299 HydrophobicContact CB-CB 4.18Å | ||
| 295 | S | 88.5 | Confident | 90.2 | Very high | 54 Ų | 54 | 34.6 Ų | 34.6 | 38% | 0.378 | 20% | 0.203 | S | C | . | . | trans | -64.6 | 157.2 | 165.7 | 66.9 | 0 | 0 | 0 | 0 | 109.7 | T297 K298 A299 | S295-T297 VanDerWaalsContact C-N 3.31Å; S295-T297 PolarHBondContact O-N 3.27Å; S295-K298 PolarHBondContact O-N 2.95Å; S295-K298 VanDerWaalsContact OG-CB 3.31Å; S295-K298 WeakPolarHBondContact OG-CB 3.29Å; S295-K298 PolarHBondContact OG-N 3.13Å; S295-A299 PolarHBondContact O-N 2.93Å | ||
| 296 | K | 87.6 | Confident | 90.2 | Very high | 46 Ų | 46 | 34.8 Ų | 34.8 | 20% | 0.2 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -50.5 | -50.6 | 178.2 | 168.5 | 165.9 | 179.2 | 175.7 | 0 | 111.9 | L106 F107 I109 L111 F286 K298 A299 M300 | L106-K296 WeakPolarHBondContact O-CE 3.47Å; L106-K296 PolarHBondContact O-NZ 3.46Å; F107-K296 PolarHBondContact O-NZ 3.04Å; I109-K296 PolarHBondContact O-NZ 2.88Å; L111-K296 WeakPolarHBondContact O-CD 3.29Å; F286-K296 HydrophobicContact CE2-CB 4.39Å; F286-K296 HydrophobicContact CE2-CG 3.94Å; F286-K296 HydrophobicContact CZ-CB 4.25Å; F286-K296 HydrophobicContact CZ-CD 4.15Å; F286-K296 HydrophobicContact CZ-CG 3.77Å; K296-K298 VanDerWaalsContact C-N 3.31Å; K296-K298 PolarHBondContact O-N 3.22Å; K296-A299 PolarHBondContact O-N 3.32Å; K296-M300 HydrophobicContact CD-SD 4.49Å; K296-M300 HydrophobicContact CG-SD 3.83Å; K296-M300 VanDerWaalsContact O-CG 3.28Å; K296-M300 WeakPolarHBondContact O-CG 3.01Å; K296-M300 PolarHBondContact O-N 3.36Å |
| 297 | T | 88.9 | Confident | 90 | Very high | 95 Ų | 95 | 35 Ų | 35 | 58% | 0.583 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -61.1 | -40.7 | 178.9 | -47.8 | 0 | 0 | 0 | 0 | 111.9 | S295 M300 L301 | S295-T297 VanDerWaalsContact C-N 3.31Å; S295-T297 PolarHBondContact O-N 3.27Å; T297-M300 PolarHBondContact O-N 3.2Å; T297-L301 HydrophobicContact CG2-CD1 4.17Å; T297-L301 WeakPolarHBondContact O-CB 3.31Å; T297-L301 VanDerWaalsContact O-CG 3.28Å; T297-L301 WeakPolarHBondContact O-CG 3.28Å; T297-L301 PolarHBondContact O-N 3.34Å |
| 298 | K | 91 | Very high | 90 | Very high | 106 Ų | 106 | 40.1 Ų | 40.1 | 46% | 0.461 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67 | -43 | 178.6 | -176.1 | 178 | 177.3 | -175.5 | 0 | 111.6 | C294 S295 K296 L301 L302 | C294-K298 HydrophobicContact CB-CB 4.25Å; C294-K298 HydrophobicContact CB-CD 4.26Å; C294-K298 HydrophobicContact CB-CG 4.25Å; S295-K298 PolarHBondContact O-N 2.95Å; S295-K298 VanDerWaalsContact OG-CB 3.31Å; S295-K298 WeakPolarHBondContact OG-CB 3.29Å; S295-K298 PolarHBondContact OG-N 3.13Å; K296-K298 VanDerWaalsContact C-N 3.31Å; K296-K298 PolarHBondContact O-N 3.22Å; K298-L301 PolarHBondContact O-N 3.34Å; K298-L302 HydrophobicContact CG-CD1 4.01Å; K298-L302 HydrophobicContact CG-CG 4.4Å; K298-L302 WeakPolarHBondContact O-CB 3.36Å; K298-L302 VanDerWaalsContact O-CG 3.28Å; K298-L302 WeakPolarHBondContact O-CG 3.41Å; K298-L302 PolarHBondContact O-N 3.46Å |
| 299 | A | 90.6 | Very high | 90 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.7 | -48.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F286 L289 V290 C294 S295 K296 L301 L302 Q303 | F286-A299 HydrophobicContact CD2-CB 3.72Å; F286-A299 HydrophobicContact CE2-CB 3.83Å; L289-A299 HydrophobicContact CB-CB 3.61Å; L289-A299 HydrophobicContact CD1-CB 4.27Å; L289-A299 WeakPolarHBondContact CD1-O 3.5Å; V290-A299 HydrophobicContact CG2-CB 4.02Å; C294-A299 HydrophobicContact CB-CB 4.18Å; S295-A299 PolarHBondContact O-N 2.93Å; K296-A299 PolarHBondContact O-N 3.32Å; A299-L301 PolarHBondContact O-N 2.92Å; A299-L302 PolarHBondContact O-N 3.37Å; A299-Q303 PolarHBondContact O-N 3.06Å |
| 300 | M | 89.4 | Confident | 90.1 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 177.2 | -65.7 | 173 | 65.2 | 0 | 0 | 113 | F103 L106 F107 F286 K296 T297 L302 Q303 L304 | F103-M300 HydrophobicContact CD2-CB 4.14Å; F103-M300 HydrophobicContact CD2-CE 4.26Å; F103-M300 HydrophobicContact CE1-CE 4.42Å; F103-M300 HydrophobicContact CE2-CB 3.7Å; F103-M300 HydrophobicContact CE2-CE 3.97Å; F103-M300 HydrophobicContact CZ-CE 4.04Å; L106-M300 HydrophobicContact CB-CE 4.09Å; L106-M300 HydrophobicContact CB-CG 4.18Å; L106-M300 HydrophobicContact CB-SD 4.35Å; L106-M300 HydrophobicContact CD1-CG 4.28Å; F107-M300 HydrophobicContact CD1-CE 4.15Å; F107-M300 HydrophobicContact CD2-CE 3.49Å; F107-M300 VanDerWaalsContact CD2-CE 3.49Å; F107-M300 HydrophobicContact CE1-CE 4.1Å; F107-M300 HydrophobicContact CE2-CE 3.43Å; F107-M300 VanDerWaalsContact CE2-CE 3.43Å; F107-M300 HydrophobicContact CG-CE 3.86Å; F107-M300 HydrophobicContact CZ-CE 3.74Å; F286-M300 HydrophobicContact CD2-CG 4.07Å; F286-M300 HydrophobicContact CE2-CG 3.83Å; K296-M300 HydrophobicContact CD-SD 4.49Å; K296-M300 HydrophobicContact CG-SD 3.83Å; K296-M300 VanDerWaalsContact O-CG 3.28Å; K296-M300 WeakPolarHBondContact O-CG 3.01Å; K296-M300 PolarHBondContact O-N 3.36Å; T297-M300 PolarHBondContact O-N 3.2Å; M300-L302 VanDerWaalsContact C-N 3.35Å; M300-Q303 PolarHBondContact O-N 3.07Å; M300-L304 PolarHBondContact O-N 3.31Å |
| 301 | L | 91.5 | Very high | 90.2 | Very high | 99 Ų | 99 | 42 Ų | 42 | 52% | 0.518 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.9 | -34.1 | 177.4 | -73.7 | 173.2 | 0 | 0 | 0 | 112.7 | T297 K298 A299 Q303 L304 V305 | T297-L301 HydrophobicContact CG2-CD1 4.17Å; T297-L301 WeakPolarHBondContact O-CB 3.31Å; T297-L301 VanDerWaalsContact O-CG 3.28Å; T297-L301 WeakPolarHBondContact O-CG 3.28Å; T297-L301 PolarHBondContact O-N 3.34Å; K298-L301 PolarHBondContact O-N 3.34Å; A299-L301 PolarHBondContact O-N 2.92Å; L301-Q303 VanDerWaalsContact C-N 3.33Å; L301-L304 PolarHBondContact O-N 2.86Å; L301-V305 PolarHBondContact O-N 3.24Å |
| 302 | L | 92.1 | Very high | 90.4 | Very high | 45 Ų | 45 | 45.5 Ų | 45.5 | 24% | 0.236 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.4 | -32.3 | 178.3 | -74.7 | 168.8 | 0 | 0 | 0 | 112.1 | L242 L289 K298 A299 M300 V305 T306 | L242-L302 HydrophobicContact CD1-CB 4.19Å; L242-L302 HydrophobicContact CD1-CD1 4.24Å; L242-L302 HydrophobicContact CD1-CD2 4.17Å; L242-L302 HydrophobicContact CD1-CG 4.44Å; L242-L302 HydrophobicContact CD2-CB 3.89Å; L289-L302 HydrophobicContact CD1-CB 4.17Å; L289-L302 HydrophobicContact CD2-CD1 4.18Å; K298-L302 HydrophobicContact CG-CD1 4.01Å; K298-L302 HydrophobicContact CG-CG 4.4Å; K298-L302 WeakPolarHBondContact O-CB 3.36Å; K298-L302 VanDerWaalsContact O-CG 3.28Å; K298-L302 WeakPolarHBondContact O-CG 3.41Å; K298-L302 PolarHBondContact O-N 3.46Å; A299-L302 PolarHBondContact O-N 3.37Å; M300-L302 VanDerWaalsContact C-N 3.35Å; L302-V305 VanDerWaalsContact O-CB 3.31Å; L302-V305 WeakPolarHBondContact O-CB 3.47Å; L302-V305 PolarHBondContact O-N 3.49Å; L302-V305 VanDerWaalsContact O-N 3.15Å; L302-T306 PolarHBondContact O-N 3.34Å |
| 303 | Q | 89.9 | Confident | 90.5 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.3 | -33 | 172.9 | -64.2 | -176.6 | 154.1 | 0 | 0 | 112.1 | E282 F286 L289 A299 M300 L301 V305 T306 A307 | E282-Q303 PolarHBondContact O-NE2 3.05Å; E282-Q303 PolarHBondContact O-OE1 2.84Å; E282-Q303 WeakPolarHBondContact OE2-CB 3.28Å; E282-Q303 PolarHBondContact OE2-NE2 3.01Å; F286-Q303 VanDerWaalsContact CA-OE1 3.31Å; L289-Q303 HydrophobicContact CD1-CG 3.69Å; A299-Q303 PolarHBondContact O-N 3.06Å; M300-Q303 PolarHBondContact O-N 3.07Å; L301-Q303 VanDerWaalsContact C-N 3.33Å; Q303-V305 PolarHBondContact O-N 2.85Å; Q303-V305 VanDerWaalsContact O-N 3.11Å; Q303-T306 PolarHBondContact O-N 3.13Å; Q303-T306 PolarHBondContact O-OG1 2.85Å; Q303-A307 PolarHBondContact O-N 3.26Å |
| 304 | L | 88.4 | Confident | 90.7 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 37% | 0.366 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.7 | -21 | 170.5 | -168.2 | 62.9 | 0 | 0 | 0 | 112.7 | L100 M300 L301 A307 | L100-L304 HydrophobicContact CD2-CD1 4.01Å; M300-L304 PolarHBondContact O-N 3.31Å; L301-L304 PolarHBondContact O-N 2.86Å; L304-A307 HydrophobicContact CD1-CB 4.44Å; L304-A307 WeakPolarHBondContact O-CB 3.45Å |
| 305 | V | 91.1 | Very high | 90.9 | Very high | 81 Ų | 81 | 43.5 Ų | 43.5 | 49% | 0.491 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -74.9 | -35.7 | 172.6 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | L301 L302 Q303 A307 M308 | L301-V305 PolarHBondContact O-N 3.24Å; L302-V305 VanDerWaalsContact O-CB 3.31Å; L302-V305 WeakPolarHBondContact O-CB 3.47Å; L302-V305 PolarHBondContact O-N 3.49Å; L302-V305 VanDerWaalsContact O-N 3.15Å; Q303-V305 PolarHBondContact O-N 2.85Å; Q303-V305 VanDerWaalsContact O-N 3.11Å; V305-A307 VanDerWaalsContact C-N 3.29Å; V305-A307 PolarHBondContact O-N 3.07Å; V305-M308 HydrophobicContact CG1-SD 4.46Å; V305-M308 VanDerWaalsContact O-CB 3.28Å; V305-M308 WeakPolarHBondContact O-CB 3.49Å; V305-M308 WeakPolarHBondContact O-CG 3.45Å; V305-M308 PolarHBondContact O-N 3.38Å; V305-M308 VanDerWaalsContact O-N 3.16Å |
| 306 | T | 91.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.9 | -29.6 | 178.5 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | L242 D245 F246 L302 Q303 M308 G309 | L242-T306 HydrophobicContact CB-CG2 4.21Å; L242-T306 HydrophobicContact CD2-CG2 3.72Å; L242-T306 VanDerWaalsContact O-CG2 3.32Å; L242-T306 WeakPolarHBondContact O-CG2 3.47Å; D245-T306 HydrophobicContact CB-CG2 4.16Å; D245-T306 WeakPolarHBondContact OD2-CB 3.34Å; D245-T306 VanDerWaalsContact OD2-CG2 3.31Å; D245-T306 WeakPolarHBondContact OD2-CG2 3.41Å; D245-T306 PolarHBondContact OD2-OG1 3.47Å; F246-T306 HydrophobicContact CB-CG2 4.2Å; L302-T306 PolarHBondContact O-N 3.34Å; Q303-T306 PolarHBondContact O-N 3.13Å; Q303-T306 PolarHBondContact O-OG1 2.85Å; T306-M308 PolarHBondContact O-N 3.31Å; T306-G309 WeakPolarHBondContact O-CA 3.3Å; T306-G309 PolarHBondContact O-N 3.27Å |
| 307 | A | 88.4 | Confident | 90.9 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 5% | 0.05 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.1 | -22 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S99 Q303 L304 V305 G309 A310 L311 | S99-A307 VanDerWaalsContact CB-CB 3.41Å; S99-A307 WeakPolarHBondContact OG-CB 3.33Å; Q303-A307 PolarHBondContact O-N 3.26Å; L304-A307 HydrophobicContact CD1-CB 4.44Å; L304-A307 WeakPolarHBondContact O-CB 3.45Å; V305-A307 VanDerWaalsContact C-N 3.29Å; V305-A307 PolarHBondContact O-N 3.07Å; A307-G309 PolarHBondContact O-N 3.33Å; A307-A310 PolarHBondContact O-N 3.08Å; A307-L311 PolarHBondContact O-N 3.11Å |
| 308 | M | 91.7 | Very high | 90.8 | Very high | 107 Ų | 107 | 38.5 Ų | 38.5 | 53% | 0.527 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.3 | -31.3 | 171.5 | -65 | -178.1 | 60.3 | 0 | 0 | 111.8 | F246 V305 T306 L311 M312 | F246-M308 HydrophobicContact CE2-CB 4.36Å; V305-M308 HydrophobicContact CG1-SD 4.46Å; V305-M308 VanDerWaalsContact O-CB 3.28Å; V305-M308 WeakPolarHBondContact O-CB 3.49Å; V305-M308 WeakPolarHBondContact O-CG 3.45Å; V305-M308 PolarHBondContact O-N 3.38Å; V305-M308 VanDerWaalsContact O-N 3.16Å; T306-M308 PolarHBondContact O-N 3.31Å; M308-L311 PolarHBondContact O-N 3.47Å; M308-M312 WeakPolarHBondContact O-CB 3.46Å; M308-M312 VanDerWaalsContact O-CG 3.25Å; M308-M312 WeakPolarHBondContact O-CG 3.42Å; M308-M312 PolarHBondContact O-N 2.8Å |
| 309 | G | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.4 | -49.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | F246 F250 T306 A307 L311 M312 G313 | F246-G309 VanDerWaalsContact CE2-CA 3.46Å; F246-G309 VanDerWaalsContact CE2-N 3.33Å; F250-G309 WeakPolarHBondContact CA-O 3.41Å; F250-G309 WeakPolarHBondContact CD2-O 3.36Å; T306-G309 WeakPolarHBondContact O-CA 3.3Å; T306-G309 PolarHBondContact O-N 3.27Å; A307-G309 PolarHBondContact O-N 3.33Å; G309-L311 PolarHBondContact O-N 3.18Å; G309-M312 WeakPolarHBondContact O-CB 2.92Å; G309-M312 PolarHBondContact O-N 2.77Å; G309-M312 VanDerWaalsContact O-N 3.16Å; G309-G313 PolarHBondContact O-N 3.43Å |
| 310 | A | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T95 N249 G253 A307 M312 G313 C314 | T95-A310 VanDerWaalsContact CG2-C 3.46Å; T95-A310 HydrophobicContact CG2-CB 3.68Å; N249-A310 HydrophobicContact CB-CB 4.15Å; N249-A310 WeakPolarHBondContact O-CA 3.31Å; N249-A310 VanDerWaalsContact O-CB 3.23Å; N249-A310 WeakPolarHBondContact O-CB 3.32Å; N249-A310 PolarHBondContact O-N 3.08Å; G253-A310 WeakPolarHBondContact CA-O 3.27Å; A307-A310 PolarHBondContact O-N 3.08Å; A310-M312 VanDerWaalsContact C-N 3.31Å; A310-M312 PolarHBondContact O-N 3.33Å; A310-G313 PolarHBondContact O-N 3.23Å; A310-C314 VanDerWaalsContact O-CB 3.3Å; A310-C314 WeakPolarHBondContact O-CB 3.42Å; A310-C314 PolarHBondContact O-N 2.87Å |
| 311 | L | 94.3 | Very high | 88.4 | Confident | 59 Ų | 59 | 47.1 Ų | 47.1 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 175.3 | -70.2 | 173.1 | 0 | 0 | 0 | 112.1 | I92 T95 I96 A307 M308 G309 C315 | I92-L311 HydrophobicContact CG2-CD2 4.37Å; T95-L311 HydrophobicContact CG2-CD2 3.78Å; T95-L311 HydrophobicContact CG2-CG 4.21Å; I96-L311 HydrophobicContact CG1-CD2 3.95Å; A307-L311 PolarHBondContact O-N 3.11Å; M308-L311 PolarHBondContact O-N 3.47Å; G309-L311 PolarHBondContact O-N 3.18Å; L311-C315 WeakPolarHBondContact O-CB 3.42Å; L311-C315 PolarHBondContact O-N 2.87Å; L311-C315 PolarHBondContact O-SG 3.47Å |
| 312 | M | 92.8 | Very high | 87.2 | Confident | 95 Ų | 95 | 45.2 Ų | 45.2 | 47% | 0.468 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 176.9 | -74.8 | 174 | 59.2 | 0 | 0 | 111.5 | F246 F250 M308 G309 A310 C314 C315 I316 | F246-M312 HydrophobicContact CZ-SD 4.01Å; F250-M312 HydrophobicContact CD2-CB 4.23Å; F250-M312 HydrophobicContact CE2-CB 4.33Å; M308-M312 WeakPolarHBondContact O-CB 3.46Å; M308-M312 VanDerWaalsContact O-CG 3.25Å; M308-M312 WeakPolarHBondContact O-CG 3.42Å; M308-M312 PolarHBondContact O-N 2.8Å; G309-M312 WeakPolarHBondContact O-CB 2.92Å; G309-M312 PolarHBondContact O-N 2.77Å; G309-M312 VanDerWaalsContact O-N 3.16Å; A310-M312 VanDerWaalsContact C-N 3.31Å; A310-M312 PolarHBondContact O-N 3.33Å; M312-C314 PolarHBondContact O-N 2.95Å; M312-C315 PolarHBondContact O-N 3.42Å; M312-I316 VanDerWaalsContact O-CG1 3.3Å; M312-I316 WeakPolarHBondContact O-CG1 3.36Å; M312-I316 PolarHBondContact O-N 3.39Å |
| 313 | G | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.5 | -46.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L254 G309 A310 C315 I316 S317 | L254-G313 VanDerWaalsContact CD2-O 3.25Å; L254-G313 WeakPolarHBondContact CD2-O 3.28Å; G309-G313 PolarHBondContact O-N 3.43Å; A310-G313 PolarHBondContact O-N 3.23Å; G313-C315 PolarHBondContact O-N 3.46Å; G313-I316 PolarHBondContact O-N 2.89Å; G313-S317 PolarHBondContact O-N 3.16Å |
| 314 | C | 92 | Very high | 84.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 177.8 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | T95 G253 A310 M312 I316 S317 L318 | T95-C314 HydrophobicContact CG2-CB 4.09Å; T95-C314 WeakPolarHBondContact OG1-CB 3.49Å; T95-C314 PolarHBondContact OG1-SG 3.46Å; G253-C314 VanDerWaalsContact C-N 3.27Å; G253-C314 WeakPolarHBondContact O-CA 3.21Å; G253-C314 WeakPolarHBondContact O-CB 3.36Å; G253-C314 PolarHBondContact O-N 2.97Å; A310-C314 VanDerWaalsContact O-CB 3.3Å; A310-C314 WeakPolarHBondContact O-CB 3.42Å; A310-C314 PolarHBondContact O-N 2.87Å; M312-C314 PolarHBondContact O-N 2.95Å; C314-I316 PolarHBondContact O-N 3.25Å; C314-S317 PolarHBondContact O-N 3.1Å; C314-L318 VanDerWaalsContact O-CG 3.29Å; C314-L318 WeakPolarHBondContact O-CG 3.14Å; C314-L318 PolarHBondContact O-N 2.93Å |
| 315 | C | 91.8 | Very high | 83.3 | Confident | 41 Ų | 41 | 50.4 Ų | 50.4 | 28% | 0.277 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 176.1 | -69 | 0 | 0 | 0 | 0 | 112 | L311 M312 G313 S317 L318 F319 | L311-C315 WeakPolarHBondContact O-CB 3.42Å; L311-C315 PolarHBondContact O-N 2.87Å; L311-C315 PolarHBondContact O-SG 3.47Å; M312-C315 PolarHBondContact O-N 3.42Å; G313-C315 PolarHBondContact O-N 3.46Å; C315-S317 VanDerWaalsContact C-N 3.3Å; C315-S317 PolarHBondContact O-N 3.49Å; C315-L318 PolarHBondContact O-N 3.42Å; C315-F319 HydrophobicContact CB-CD2 4.48Å; C315-F319 HydrophobicContact CB-CE2 4.4Å; C315-F319 WeakPolarHBondContact O-CD2 3.22Å; C315-F319 PolarHBondContact O-N 3.21Å |
| 316 | I | 89.2 | Confident | 82 | Confident | 80 Ų | 80 | 48.6 Ų | 48.6 | 41% | 0.41 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 178.6 | -71.7 | 171.1 | 0 | 0 | 0 | 110.4 | F250 L254 M312 G313 C314 L318 F319 S320 | F250-I316 HydrophobicContact CE2-CD1 3.81Å; F250-I316 HydrophobicContact CZ-CD1 3.97Å; L254-I316 HydrophobicContact CD2-CB 4.23Å; L254-I316 HydrophobicContact CD2-CG2 4.01Å; M312-I316 VanDerWaalsContact O-CG1 3.3Å; M312-I316 WeakPolarHBondContact O-CG1 3.36Å; M312-I316 PolarHBondContact O-N 3.39Å; G313-I316 PolarHBondContact O-N 2.89Å; C314-I316 PolarHBondContact O-N 3.25Å; I316-L318 PolarHBondContact O-N 3.16Å; I316-F319 PolarHBondContact O-N 3.36Å; I316-S320 PolarHBondContact O-N 2.95Å |
| 317 | S | 87.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62 | -44 | 176.7 | -173.3 | 0 | 0 | 0 | 0 | 112.2 | L254 G257 A258 L261 G313 C314 C315 F319 S320 | L254-S317 PolarHBondContact O-OG 3.48Å; G257-S317 VanDerWaalsContact C-OG 3.25Å; A258-S317 VanDerWaalsContact CA-OG 3.25Å; A258-S317 WeakPolarHBondContact CA-OG 3.28Å; A258-S317 WeakPolarHBondContact CB-OG 3.46Å; A258-S317 PolarHBondContact N-OG 2.75Å; L261-S317 WeakPolarHBondContact CD1-O 3.4Å; G313-S317 PolarHBondContact O-N 3.16Å; C314-S317 PolarHBondContact O-N 3.1Å; C315-S317 VanDerWaalsContact C-N 3.3Å; C315-S317 PolarHBondContact O-N 3.49Å; S317-F319 VanDerWaalsContact C-N 3.33Å; S317-F319 PolarHBondContact O-N 2.92Å; S317-S320 WeakPolarHBondContact O-CB 3.06Å; S317-S320 PolarHBondContact O-N 2.85Å; S317-S320 VanDerWaalsContact O-N 3.16Å |
| 318 | L | 86.9 | Confident | 79.1 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.052 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.5 | -27.9 | -178.8 | -69.5 | 173.2 | 0 | 0 | 0 | 114 | L87 W88 A91 I92 L261 C314 C315 I316 | L87-L318 HydrophobicContact CD1-CD2 4.45Å; L87-L318 HydrophobicContact CD2-CD2 4.19Å; L87-L318 HydrophobicContact CG-CD2 4.06Å; W88-L318 HydrophobicContact CD2-CB 4.33Å; W88-L318 HydrophobicContact CD2-CD1 3.86Å; W88-L318 HydrophobicContact CE3-CB 4.47Å; W88-L318 HydrophobicContact CE3-CD1 3.7Å; W88-L318 HydrophobicContact CG-CD1 4.36Å; W88-L318 HydrophobicContact CH2-CB 3.77Å; W88-L318 HydrophobicContact CH2-CD1 4.38Å; W88-L318 HydrophobicContact CZ2-CB 3.61Å; W88-L318 HydrophobicContact CZ3-CB 4.21Å; W88-L318 HydrophobicContact CZ3-CD1 3.98Å; A91-L318 HydrophobicContact CB-CD1 3.83Å; A91-L318 HydrophobicContact CB-CD2 3.9Å; A91-L318 HydrophobicContact CB-CG 4.29Å; I92-L318 HydrophobicContact CD1-CD1 4.21Å; I92-L318 HydrophobicContact CG1-CD1 4.23Å; L261-L318 HydrophobicContact CD1-CD2 4.25Å; L261-L318 HydrophobicContact CD2-CD2 4.44Å; L261-L318 HydrophobicContact CG-CD2 4.1Å; C314-L318 VanDerWaalsContact O-CG 3.29Å; C314-L318 WeakPolarHBondContact O-CG 3.14Å; C314-L318 PolarHBondContact O-N 2.93Å; C315-L318 PolarHBondContact O-N 3.42Å; I316-L318 PolarHBondContact O-N 3.16Å |
| 319 | F | 85.9 | Confident | 77.7 | Confident | 157 Ų | 157 | 51 Ų | 51 | 69% | 0.689 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -10.1 | 173.7 | -78 | -60.4 | 0 | 0 | 0 | 113.2 | W88 C315 I316 S317 | W88-F319 AromaticContact CH2-CD1 3.95Å; W88-F319 HydrophobicContact CH2-CD1 3.95Å; W88-F319 AromaticContact CH2-CD2 3.92Å; W88-F319 HydrophobicContact CH2-CD2 3.92Å; W88-F319 AromaticContact CH2-CE1 3.66Å; W88-F319 HydrophobicContact CH2-CE1 3.66Å; W88-F319 AromaticContact CH2-CE2 3.63Å; W88-F319 HydrophobicContact CH2-CE2 3.63Å; W88-F319 HydrophobicContact CH2-CG 4.07Å; W88-F319 AromaticContact CH2-CZ 3.49Å; W88-F319 HydrophobicContact CH2-CZ 3.49Å; W88-F319 VanDerWaalsContact CH2-CZ 3.49Å; W88-F319 HydrophobicContact CZ2-CD1 4.01Å; W88-F319 AromaticContact CZ2-CE1 3.93Å; W88-F319 HydrophobicContact CZ2-CE1 3.93Å; W88-F319 HydrophobicContact CZ2-CG 4.37Å; W88-F319 HydrophobicContact CZ2-CZ 4.23Å; W88-F319 HydrophobicContact CZ3-CE2 4.37Å; W88-F319 HydrophobicContact CZ3-CZ 4.3Å; C315-F319 HydrophobicContact CB-CD2 4.48Å; C315-F319 HydrophobicContact CB-CE2 4.4Å; C315-F319 WeakPolarHBondContact O-CD2 3.22Å; C315-F319 PolarHBondContact O-N 3.21Å; I316-F319 PolarHBondContact O-N 3.36Å; S317-F319 VanDerWaalsContact C-N 3.33Å; S317-F319 PolarHBondContact O-N 2.92Å |
| 320 | S | 74.2 | Confident | 76.2 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | trans | -66.2 | 138.2 | 177.2 | -162.5 | 0 | 0 | 0 | 0 | 112.5 | I316 S317 N322 I326 | I316-S320 PolarHBondContact O-N 2.95Å; S317-S320 WeakPolarHBondContact O-CB 3.06Å; S317-S320 PolarHBondContact O-N 2.85Å; S317-S320 VanDerWaalsContact O-N 3.16Å; S320-N322 VanDerWaalsContact C-N 3.28Å; S320-N322 PolarHBondContact OG-N 2.89Å; S320-N322 PolarHBondContact OG-O 3.26Å; S320-I326 WeakPolarHBondContact OG-CD1 3.29Å; S320-I326 VanDerWaalsContact OG-CG1 3.23Å; S320-I326 WeakPolarHBondContact OG-CG1 3.29Å | ||
| 321 | A | 59.8 | Low | 74.6 | Confident | 110 Ų | 110 | 52.8 Ų | 52.8 | 91% | 0.909 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -70.9 | -27.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 322 | N | 68.2 | Low | 72.9 | Confident | 59 Ų | 59 | 52.1 Ų | 52.1 | 32% | 0.316 | 30% | 0.3 | S | S | . | . | trans | -126.9 | 103 | 178.6 | -160.8 | -18.5 | 0 | 0 | 0 | 109.9 | S320 V324 E325 I326 | S320-N322 VanDerWaalsContact C-N 3.28Å; S320-N322 PolarHBondContact OG-N 2.89Å; S320-N322 PolarHBondContact OG-O 3.26Å; N322-V324 VanDerWaalsContact C-N 3.28Å; N322-V324 PolarHBondContact O-N 3.23Å; N322-V324 PolarHBondContact OD1-N 2.89Å; N322-E325 HydrophobicContact CB-CB 4.04Å; N322-E325 HydrophobicContact CB-CG 3.96Å; N322-E325 VanDerWaalsContact ND2-CD 3.29Å; N322-E325 PolarHBondContact ND2-OE1 3.47Å; N322-E325 PolarHBondContact O-N 2.72Å; N322-I326 PolarHBondContact O-N 2.9Å | ||
| 323 | P | 58.7 | Low | 71.7 | Confident | 28 Ų | 28 | 48.9 Ų | 48.9 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.2 | -31.5 | -175.7 | 27.5 | -36.4 | 0 | 0 | 0 | 113.4 | L261 S327 | L261-P323 HydrophobicContact CB-CB 3.14Å; L261-P323 HydrophobicContact CB-CG 3.67Å; L261-P323 HydrophobicContact CD1-CB 3.44Å; L261-P323 VanDerWaalsContact CD1-CB 3.44Å; L261-P323 HydrophobicContact CD2-CB 4.35Å; L261-P323 HydrophobicContact CG-CB 3.78Å; P323-S327 WeakPolarHBondContact O-CB 3.28Å; P323-S327 PolarHBondContact O-N 3.22Å; P323-S327 VanDerWaalsContact O-N 3.08Å |
| 324 | V | 61.5 | Low | 71.3 | Confident | 75 Ų | 75 | 55.9 Ų | 55.9 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.1 | -48.8 | 178.2 | 178.6 | 0 | 0 | 0 | 0 | 109 | N322 I326 S327 E328 | N322-V324 VanDerWaalsContact C-N 3.28Å; N322-V324 PolarHBondContact O-N 3.23Å; N322-V324 PolarHBondContact OD1-N 2.89Å; V324-I326 VanDerWaalsContact C-N 3.32Å; V324-I326 PolarHBondContact O-N 3.43Å; V324-S327 PolarHBondContact O-N 3.44Å; V324-E328 HydrophobicContact CG1-CG 4.21Å; V324-E328 VanDerWaalsContact CG1-OE1 3.29Å; V324-E328 WeakPolarHBondContact CG1-OE1 3.47Å; V324-E328 VanDerWaalsContact O-CB 3.28Å; V324-E328 WeakPolarHBondContact O-CB 3.25Å; V324-E328 VanDerWaalsContact O-CG 3.29Å; V324-E328 WeakPolarHBondContact O-CG 3.41Å; V324-E328 PolarHBondContact O-N 2.93Å |
| 325 | E | 66.9 | Low | 71 | Confident | 121 Ų | 121 | 57 Ų | 57 | 57% | 0.565 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.9 | -35.3 | -179.8 | -73.2 | 175.2 | -159.6 | 0 | 0 | 113.6 | N322 A329 | N322-E325 HydrophobicContact CB-CB 4.04Å; N322-E325 HydrophobicContact CB-CG 3.96Å; N322-E325 VanDerWaalsContact ND2-CD 3.29Å; N322-E325 PolarHBondContact ND2-OE1 3.47Å; N322-E325 PolarHBondContact O-N 2.72Å; E325-A329 WeakPolarHBondContact O-CA 3.48Å; E325-A329 WeakPolarHBondContact O-CB 3.31Å; E325-A329 PolarHBondContact O-N 3.35Å |
| 326 | I | 64 | Low | 70.8 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 23% | 0.226 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -79.2 | -38.5 | 177.9 | -68.2 | -162.1 | 0 | 0 | 0 | 112 | L254 S320 N322 V324 E328 A329 A330 | L254-I326 HydrophobicContact CD2-CG2 3.87Å; S320-I326 WeakPolarHBondContact OG-CD1 3.29Å; S320-I326 VanDerWaalsContact OG-CG1 3.23Å; S320-I326 WeakPolarHBondContact OG-CG1 3.29Å; N322-I326 PolarHBondContact O-N 2.9Å; V324-I326 VanDerWaalsContact C-N 3.32Å; V324-I326 PolarHBondContact O-N 3.43Å; I326-E328 VanDerWaalsContact C-N 3.31Å; I326-A329 PolarHBondContact O-N 3.16Å; I326-A330 VanDerWaalsContact O-CB 3.23Å; I326-A330 WeakPolarHBondContact O-CB 3.49Å; I326-A330 PolarHBondContact O-N 2.97Å |
| 327 | S | 56.3 | Low | 71 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 25% | 0.252 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 174.2 | -155.2 | 0 | 0 | 0 | 0 | 111.1 | A258 P323 V324 A330 S331 | A258-S327 VanDerWaalsContact CB-OG 3.31Å; A258-S327 WeakPolarHBondContact CB-OG 3.23Å; P323-S327 WeakPolarHBondContact O-CB 3.28Å; P323-S327 PolarHBondContact O-N 3.22Å; P323-S327 VanDerWaalsContact O-N 3.08Å; V324-S327 PolarHBondContact O-N 3.44Å; S327-A330 PolarHBondContact O-N 3.23Å; S327-S331 WeakPolarHBondContact O-CB 3.47Å; S327-S331 PolarHBondContact O-N 3.31Å; S327-S331 PolarHBondContact O-OG 2.95Å |
| 328 | E | 62.8 | Low | 71.3 | Confident | 72 Ų | 72 | 54.1 Ų | 54.1 | 34% | 0.336 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.9 | -51.8 | 172.9 | -70.7 | 176.9 | 173 | 0 | 0 | 109.2 | H153 V324 I326 A330 S331 H332 | H153-E328 IonicContact CE1-OE2 3.64Å; H153-E328 IonicContact NE2-OE2 3.91Å; V324-E328 HydrophobicContact CG1-CG 4.21Å; V324-E328 VanDerWaalsContact CG1-OE1 3.29Å; V324-E328 WeakPolarHBondContact CG1-OE1 3.47Å; V324-E328 VanDerWaalsContact O-CB 3.28Å; V324-E328 WeakPolarHBondContact O-CB 3.25Å; V324-E328 VanDerWaalsContact O-CG 3.29Å; V324-E328 WeakPolarHBondContact O-CG 3.41Å; V324-E328 PolarHBondContact O-N 2.93Å; I326-E328 VanDerWaalsContact C-N 3.31Å; E328-A330 PolarHBondContact O-N 2.66Å; E328-S331 CarbonylContact O-C 3.57Å; E328-S331 PolarHBondContact O-N 3.5Å; E328-H332 WeakPolarHBondContact O-CB 3.5Å; E328-H332 PolarHBondContact O-CD2 3.07Å; E328-H332 PolarHBondContact O-N 2.94Å |
| 329 | A | 63.3 | Low | 71.5 | Confident | 60 Ų | 60 | 53.7 Ų | 53.7 | 50% | 0.496 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.8 | -33.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E325 I326 S333 | E325-A329 WeakPolarHBondContact O-CA 3.48Å; E325-A329 WeakPolarHBondContact O-CB 3.31Å; E325-A329 PolarHBondContact O-N 3.35Å; I326-A329 PolarHBondContact O-N 3.16Å; A329-S333 WeakPolarHBondContact O-CA 3.29Å; A329-S333 WeakPolarHBondContact O-CB 3.39Å; A329-S333 PolarHBondContact O-N 3.47Å |
| 330 | A | 60 | Low | 71.9 | Confident | 16 Ų | 16 | 46.2 Ų | 46.2 | 13% | 0.132 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.5 | -42.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L254 I326 S327 E328 S333 | L254-A330 HydrophobicContact CB-CB 4.18Å; L254-A330 HydrophobicContact CD1-CB 3.81Å; L254-A330 HydrophobicContact CG-CB 4.5Å; I326-A330 VanDerWaalsContact O-CB 3.23Å; I326-A330 WeakPolarHBondContact O-CB 3.49Å; I326-A330 PolarHBondContact O-N 2.97Å; S327-A330 PolarHBondContact O-N 3.23Å; E328-A330 PolarHBondContact O-N 2.66Å; A330-S333 WeakPolarHBondContact O-CB 3.09Å; A330-S333 PolarHBondContact O-N 3.01Å; A330-S333 VanDerWaalsContact O-N 3.14Å |
| 331 | S | 59.1 | Low | 73 | Confident | 20 Ų | 20 | 45 Ų | 45 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.8 | -33.9 | 179.9 | -52.3 | 0 | 0 | 0 | 0 | 112.4 | H145 A149 S327 E328 | H145-S331 PolarHBondContact CE1-OG 2.9Å; A149-S331 WeakPolarHBondContact CB-O 3.46Å; S327-S331 WeakPolarHBondContact O-CB 3.47Å; S327-S331 PolarHBondContact O-N 3.31Å; S327-S331 PolarHBondContact O-OG 2.95Å; E328-S331 CarbonylContact O-C 3.57Å; E328-S331 PolarHBondContact O-N 3.5Å |
| 332 | H | 59.2 | Low | 74.6 | Confident | 46 Ų | 46 | 39.8 Ų | 39.8 | 21% | 0.213 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -80.1 | -9.6 | 169.9 | -69.6 | -108.1 | 0 | 0 | 0 | 111.8 | A149 R150 H153 E328 | A149-H332 PolarHBondContact O-CE1 2.94Å; A149-H332 PolarHBondContact O-NE2 3.29Å; R150-H332 PolarHBondContact NH2-O 3.32Å; H153-H332 AromaticContact CD2-CE1 3.13Å; H153-H332 PolarHBondContact CD2-CE1 2.88Å; H153-H332 AromaticContact CD2-ND1 3.77Å; H153-H332 AromaticContact CD2-NE2 3.74Å; H153-H332 AromaticContact CG-CE1 3.69Å; H153-H332 AromaticContact NE2-CE1 3.73Å; H153-H332 AromaticContact NE2-NE2 3.88Å; E328-H332 WeakPolarHBondContact O-CB 3.5Å; E328-H332 PolarHBondContact O-CD2 3.07Å; E328-H332 PolarHBondContact O-N 2.94Å |
| 333 | S | 67.2 | Low | 76 | Confident | 26 Ų | 26 | 37 Ų | 37 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -63.8 | 148.3 | 179.4 | -163 | 0 | 0 | 0 | 0 | 109.9 | A329 A330 V335 P337 | A329-S333 WeakPolarHBondContact O-CA 3.29Å; A329-S333 WeakPolarHBondContact O-CB 3.39Å; A329-S333 PolarHBondContact O-N 3.47Å; A330-S333 WeakPolarHBondContact O-CB 3.09Å; A330-S333 PolarHBondContact O-N 3.01Å; A330-S333 VanDerWaalsContact O-N 3.14Å; S333-V335 PolarHBondContact O-N 3.43Å; S333-V335 WeakPolarHBondContact OG-CG2 3.21Å; S333-V335 PolarHBondContact OG-N 3.28Å; S333-P337 WeakPolarHBondContact O-CD 3.38Å |
| 334 | W | 83.7 | Confident | 77.8 | Confident | 147 Ų | 147 | 36.6 Ų | 36.6 | 56% | 0.557 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -62.7 | -13.9 | 165.4 | 55.6 | -88.2 | 0 | 0 | 0 | 111.6 | P337 F338 | W334-P337 WeakPolarHBondContact O-CD 3.33Å; W334-P337 WeakPolarHBondContact O-CG 3.29Å; W334-F338 HydrophobicContact CE3-CB 3.87Å; W334-F338 HydrophobicContact CE3-CD2 4.18Å; W334-F338 HydrophobicContact CE3-CG 4.01Å; W334-F338 HydrophobicContact CZ3-CB 4.24Å; W334-F338 HydrophobicContact CZ3-CD1 4.19Å; W334-F338 HydrophobicContact CZ3-CD2 4.07Å; W334-F338 AromaticContact CZ3-CG 3.91Å; W334-F338 HydrophobicContact CZ3-CG 3.91Å; W334-F338 WeakPolarHBondContact O-CB 3.37Å; W334-F338 PolarHBondContact O-N 2.93Å |
| 335 | V | 84.7 | Confident | 79.5 | Confident | 23 Ų | 23 | 33.8 Ų | 33.8 | 14% | 0.139 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.7 | -48.8 | -176.2 | 177.1 | 0 | 0 | 0 | 0 | 112.4 | T251 S333 F338 T339 | T251-V335 HydrophobicContact CG2-CB 4.32Å; T251-V335 HydrophobicContact CG2-CG1 3.49Å; T251-V335 VanDerWaalsContact CG2-CG1 3.49Å; S333-V335 PolarHBondContact O-N 3.43Å; S333-V335 WeakPolarHBondContact OG-CG2 3.21Å; S333-V335 PolarHBondContact OG-N 3.28Å; V335-F338 WeakPolarHBondContact O-CB 3.43Å; V335-F338 PolarHBondContact O-N 2.8Å; V335-T339 WeakPolarHBondContact O-CB 3.3Å; V335-T339 PolarHBondContact O-N 3.06Å; V335-T339 PolarHBondContact O-OG1 2.74Å |
| 336 | L | 89 | Confident | 80.8 | Confident | 11 Ų | 11 | 28 Ų | 28 | 6% | 0.058 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.9 | -57.1 | 178.9 | -72.4 | 176.9 | 0 | 0 | 0 | 112.8 | L142 A146 T251 F338 T339 A340 | L142-L336 HydrophobicContact CD2-CD2 3.67Å; A146-L336 HydrophobicContact CB-CB 4.35Å; T251-L336 HydrophobicContact CG2-CD2 3.95Å; T251-L336 HydrophobicContact CG2-CG 4.48Å; L336-F338 VanDerWaalsContact C-N 3.28Å; L336-F338 PolarHBondContact O-N 3.18Å; L336-T339 PolarHBondContact O-N 3.19Å; L336-A340 PolarHBondContact O-N 3.49Å |
| 337 | P | 92.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.1 | -32.4 | 178.4 | 21.6 | -30 | 0 | 0 | 0 | 112.5 | A146 V178 S181 T182 S333 W334 A340 G341 | A146-P337 HydrophobicContact CB-CB 4.45Å; A146-P337 HydrophobicContact CB-CG 4.13Å; V178-P337 HydrophobicContact CG1-CB 3.91Å; V178-P337 HydrophobicContact CG1-CG 4.41Å; V178-P337 WeakPolarHBondContact O-CB 3.39Å; S181-P337 VanDerWaalsContact CB-CG 3.43Å; T182-P337 WeakPolarHBondContact CA-O 3.45Å; T182-P337 WeakPolarHBondContact OG1-CB 3.28Å; T182-P337 PolarHBondContact OG1-O 3.48Å; S333-P337 WeakPolarHBondContact O-CD 3.38Å; W334-P337 WeakPolarHBondContact O-CD 3.33Å; W334-P337 WeakPolarHBondContact O-CG 3.29Å; P337-A340 WeakPolarHBondContact O-CB 3.25Å; P337-A340 PolarHBondContact O-N 2.9Å; P337-G341 PolarHBondContact O-N 3.49Å |
| 338 | F | 92.9 | Very high | 84.3 | Confident | 50 Ų | 50 | 27 Ų | 27 | 22% | 0.219 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 173.5 | 178.3 | -85.6 | 0 | 0 | 0 | 112.1 | S181 M184 G185 A188 F189 W334 V335 L336 A340 G341 G342 | S181-F338 WeakPolarHBondContact O-CA 3.33Å; M184-F338 HydrophobicContact CB-CD2 4.31Å; G185-F338 VanDerWaalsContact CA-CD2 3.47Å; G185-F338 VanDerWaalsContact CA-O 3.32Å; G185-F338 WeakPolarHBondContact CA-O 3.45Å; A188-F338 HydrophobicContact CB-CE2 3.81Å; A188-F338 HydrophobicContact CB-CZ 3.8Å; F189-F338 HydrophobicContact CE2-CE1 4.46Å; W334-F338 HydrophobicContact CE3-CB 3.87Å; W334-F338 HydrophobicContact CE3-CD2 4.18Å; W334-F338 HydrophobicContact CE3-CG 4.01Å; W334-F338 HydrophobicContact CZ3-CB 4.24Å; W334-F338 HydrophobicContact CZ3-CD1 4.19Å; W334-F338 HydrophobicContact CZ3-CD2 4.07Å; W334-F338 AromaticContact CZ3-CG 3.91Å; W334-F338 HydrophobicContact CZ3-CG 3.91Å; W334-F338 WeakPolarHBondContact O-CB 3.37Å; W334-F338 PolarHBondContact O-N 2.93Å; V335-F338 WeakPolarHBondContact O-CB 3.43Å; V335-F338 PolarHBondContact O-N 2.8Å; L336-F338 VanDerWaalsContact C-N 3.28Å; L336-F338 PolarHBondContact O-N 3.18Å; F338-A340 VanDerWaalsContact C-N 3.35Å; F338-G341 WeakPolarHBondContact O-CA 3.32Å; F338-G341 PolarHBondContact O-N 3.41Å; F338-G341 VanDerWaalsContact O-N 3.15Å; F338-G342 PolarHBondContact O-N 3.43Å |
| 339 | T | 91.8 | Very high | 85.8 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 175 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | L142 H248 V335 L336 G341 G342 F343 | L142-T339 HydrophobicContact CD1-CG2 4.19Å; H248-T339 HydrophobicContact CB-CG2 3.88Å; V335-T339 WeakPolarHBondContact O-CB 3.3Å; V335-T339 PolarHBondContact O-N 3.06Å; V335-T339 PolarHBondContact O-OG1 2.74Å; L336-T339 PolarHBondContact O-N 3.19Å; T339-G341 PolarHBondContact O-N 2.81Å; T339-G342 WeakPolarHBondContact O-CA 3.39Å; T339-G342 PolarHBondContact O-N 3.26Å; T339-F343 HydrophobicContact CG2-CD2 4.37Å; T339-F343 HydrophobicContact CG2-CE2 4.07Å; T339-F343 HydrophobicContact CG2-CZ 4.18Å; T339-F343 PolarHBondContact O-N 3.06Å |
| 340 | A | 94.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.4 | -40.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A138 L142 I143 L336 P337 F338 G342 F343 I344 | A138-A340 HydrophobicContact CB-CB 4Å; L142-A340 HydrophobicContact CB-CB 3.73Å; L142-A340 HydrophobicContact CD1-CB 3.8Å; L142-A340 HydrophobicContact CG-CB 4.44Å; I143-A340 HydrophobicContact CD1-CB 4.19Å; I143-A340 HydrophobicContact CG1-CB 3.78Å; L336-A340 PolarHBondContact O-N 3.49Å; P337-A340 WeakPolarHBondContact O-CB 3.25Å; P337-A340 PolarHBondContact O-N 2.9Å; F338-A340 VanDerWaalsContact C-N 3.35Å; A340-G342 VanDerWaalsContact C-N 3.35Å; A340-G342 PolarHBondContact O-N 2.95Å; A340-F343 PolarHBondContact O-N 3.42Å; A340-I344 WeakPolarHBondContact O-CB 3.5Å; A340-I344 WeakPolarHBondContact O-CD1 3.2Å; A340-I344 VanDerWaalsContact O-CG1 3.23Å; A340-I344 WeakPolarHBondContact O-CG1 3.37Å; A340-I344 PolarHBondContact O-N 3.43Å |
| 341 | G | 96.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.3 | -40.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T182 I186 P337 F338 T339 Y345 | T182-G341 WeakPolarHBondContact O-CA 3.5Å; I186-G341 WeakPolarHBondContact CG1-O 3.15Å; P337-G341 PolarHBondContact O-N 3.49Å; F338-G341 WeakPolarHBondContact O-CA 3.32Å; F338-G341 PolarHBondContact O-N 3.41Å; F338-G341 VanDerWaalsContact O-N 3.15Å; T339-G341 PolarHBondContact O-N 2.81Å; G341-Y345 WeakPolarHBondContact O-CB 3.44Å; G341-Y345 PolarHBondContact O-N 3.43Å |
| 342 | G | 94.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.3 | -47.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F338 T339 A340 Y345 I346 | F338-G342 PolarHBondContact O-N 3.43Å; T339-G342 WeakPolarHBondContact O-CA 3.39Å; T339-G342 PolarHBondContact O-N 3.26Å; A340-G342 VanDerWaalsContact C-N 3.35Å; A340-G342 PolarHBondContact O-N 2.95Å; G342-Y345 WeakPolarHBondContact O-CB 3.27Å; G342-Y345 PolarHBondContact O-N 3.49Å; G342-I346 WeakPolarHBondContact O-CG1 3.43Å; G342-I346 PolarHBondContact O-N 3.47Å |
| 343 | F | 95.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 177.2 | -72.7 | -17 | 0 | 0 | 0 | 113.1 | L134 D137 A138 L142 A244 H248 T339 A340 Y345 I346 A347 | L134-F343 HydrophobicContact CB-CB 4.36Å; L134-F343 HydrophobicContact CD2-CB 4.27Å; L134-F343 HydrophobicContact CD2-CD1 3.64Å; L134-F343 HydrophobicContact CD2-CD2 4.17Å; L134-F343 HydrophobicContact CD2-CE1 3.87Å; L134-F343 HydrophobicContact CD2-CE2 4.38Å; L134-F343 HydrophobicContact CD2-CG 3.8Å; L134-F343 HydrophobicContact CD2-CZ 4.23Å; D137-F343 VanDerWaalsContact OD2-CD2 3.3Å; D137-F343 WeakPolarHBondContact OD2-CD2 3.21Å; D137-F343 WeakPolarHBondContact OD2-CE2 3.33Å; A138-F343 HydrophobicContact CB-CB 4.37Å; L142-F343 HydrophobicContact CD1-CD2 3.81Å; L142-F343 HydrophobicContact CD1-CE2 4.07Å; A244-F343 HydrophobicContact CB-CD1 3.59Å; A244-F343 HydrophobicContact CB-CE1 3.44Å; A244-F343 VanDerWaalsContact CB-CE1 3.44Å; H248-F343 HydrophobicContact CB-CE2 3.98Å; H248-F343 HydrophobicContact CB-CZ 3.56Å; H248-F343 AromaticContact CG-CE2 3.76Å; H248-F343 AromaticContact CG-CZ 3.75Å; H248-F343 AromaticContact ND1-CE2 3.7Å; T339-F343 HydrophobicContact CG2-CD2 4.37Å; T339-F343 HydrophobicContact CG2-CE2 4.07Å; T339-F343 HydrophobicContact CG2-CZ 4.18Å; T339-F343 PolarHBondContact O-N 3.06Å; A340-F343 PolarHBondContact O-N 3.42Å; F343-Y345 VanDerWaalsContact C-N 3.29Å; F343-Y345 PolarHBondContact O-N 2.96Å; F343-I346 HydrophobicContact CD1-CD1 4.36Å; F343-I346 PolarHBondContact O-N 3.36Å; F343-A347 WeakPolarHBondContact O-CB 3.33Å; F343-A347 PolarHBondContact O-N 3.48Å |
| 344 | I | 97.5 | Very high | 92.8 | Very high | 19 Ų | 19 | 26.7 Ų | 26.7 | 10% | 0.097 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.6 | -45.4 | 172.6 | -69.9 | 164 | 0 | 0 | 0 | 110.1 | L135 A138 F139 I143 T182 I186 A340 T348 | L135-I344 HydrophobicContact CD2-CG1 4.35Å; A138-I344 HydrophobicContact CB-CD1 4.15Å; A138-I344 HydrophobicContact CB-CG1 3.76Å; F139-I344 HydrophobicContact CE1-CD1 4.26Å; F139-I344 HydrophobicContact CE2-CD1 3.86Å; F139-I344 HydrophobicContact CE2-CG1 3.87Å; F139-I344 HydrophobicContact CZ-CD1 3.69Å; F139-I344 HydrophobicContact CZ-CG1 4.19Å; I143-I344 HydrophobicContact CD1-CD1 4.22Å; T182-I344 HydrophobicContact CG2-CD1 4.04Å; I186-I344 HydrophobicContact CD1-CG2 4.16Å; A340-I344 WeakPolarHBondContact O-CB 3.5Å; A340-I344 WeakPolarHBondContact O-CD1 3.2Å; A340-I344 VanDerWaalsContact O-CG1 3.23Å; A340-I344 WeakPolarHBondContact O-CG1 3.37Å; A340-I344 PolarHBondContact O-N 3.43Å; I344-T348 HydrophobicContact CG2-CG2 4.31Å; I344-T348 WeakPolarHBondContact O-CB 3.32Å; I344-T348 WeakPolarHBondContact O-CG2 3.38Å; I344-T348 PolarHBondContact O-N 3.45Å; I344-T348 PolarHBondContact O-OG1 3.42Å |
| 345 | Y | 96.9 | Very high | 93.1 | Very high | 15 Ų | 15 | 20.3 Ų | 20.3 | 6% | 0.059 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.5 | -47.5 | 179.4 | -176.4 | -85.6 | 0 | 0 | 0 | 111.9 | I186 F189 L190 E193 L240 G341 G342 F343 T348 V349 | I186-Y345 HydrophobicContact CG2-CD2 4.1Å; F189-Y345 HydrophobicContact CB-CD1 3.63Å; F189-Y345 HydrophobicContact CB-CD2 4.34Å; F189-Y345 HydrophobicContact CB-CE1 4.14Å; F189-Y345 HydrophobicContact CB-CG 3.74Å; F189-Y345 HydrophobicContact CD1-CD1 4.28Å; F189-Y345 HydrophobicContact CG-CD1 4.44Å; L190-Y345 HydrophobicContact CB-CD2 4.31Å; L190-Y345 HydrophobicContact CB-CE2 3.58Å; L190-Y345 HydrophobicContact CD1-CE2 4.43Å; L190-Y345 HydrophobicContact CG-CE2 4.18Å; E193-Y345 VanDerWaalsContact CD-OH 3.32Å; E193-Y345 WeakPolarHBondContact OE2-CE1 3.43Å; E193-Y345 PolarHBondContact OE2-OH 3.28Å; L240-Y345 HydrophobicContact CD1-CE1 4.19Å; G341-Y345 WeakPolarHBondContact O-CB 3.44Å; G341-Y345 PolarHBondContact O-N 3.43Å; G342-Y345 WeakPolarHBondContact O-CB 3.27Å; G342-Y345 PolarHBondContact O-N 3.49Å; F343-Y345 VanDerWaalsContact C-N 3.29Å; F343-Y345 PolarHBondContact O-N 2.96Å; Y345-T348 PolarHBondContact O-N 3.44Å; Y345-V349 HydrophobicContact CD1-CB 4.43Å; Y345-V349 HydrophobicContact CD2-CB 4.39Å; Y345-V349 HydrophobicContact CD2-CG2 3.88Å; Y345-V349 HydrophobicContact CE1-CB 4.18Å; Y345-V349 HydrophobicContact CE1-CG1 4.27Å; Y345-V349 HydrophobicContact CE2-CB 4.13Å; Y345-V349 HydrophobicContact CE2-CG1 4.18Å; Y345-V349 HydrophobicContact CE2-CG2 3.8Å; Y345-V349 HydrophobicContact CG-CG2 4.35Å; Y345-V349 WeakPolarHBondContact O-CA 3.48Å; Y345-V349 VanDerWaalsContact O-CB 3.26Å; Y345-V349 WeakPolarHBondContact O-CB 3.25Å; Y345-V349 PolarHBondContact O-N 3.48Å |
| 346 | I | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -59.6 | -51.6 | 177.7 | -67 | 158.6 | 0 | 0 | 0 | 110.3 | L134 F189 N241 A244 I288 G342 F343 T348 S350 I351 | L134-I346 HydrophobicContact CD1-CG2 4.03Å; F189-I346 HydrophobicContact CD1-CD1 4.38Å; F189-I346 HydrophobicContact CD1-CG1 4.25Å; F189-I346 HydrophobicContact CE1-CD1 3.86Å; F189-I346 HydrophobicContact CE1-CG1 4.23Å; N241-I346 HydrophobicContact CB-CD1 4.4Å; A244-I346 HydrophobicContact CB-CD1 3.62Å; I288-I346 HydrophobicContact CD1-CG2 4.13Å; G342-I346 WeakPolarHBondContact O-CG1 3.43Å; G342-I346 PolarHBondContact O-N 3.47Å; F343-I346 HydrophobicContact CD1-CD1 4.36Å; F343-I346 PolarHBondContact O-N 3.36Å; I346-T348 PolarHBondContact O-N 3.41Å; I346-S350 WeakPolarHBondContact O-CA 3.4Å; I346-S350 WeakPolarHBondContact O-CB 3.33Å; I346-S350 PolarHBondContact O-N 2.95Å; I346-I351 HydrophobicContact CG2-CD1 4.07Å; I346-I351 HydrophobicContact CG2-CG1 4.26Å; I346-I351 PolarHBondContact O-N 2.94Å |
| 347 | A | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -59.4 | -47.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L134 L135 F343 I352 | L134-A347 HydrophobicContact CB-CB 4.27Å; L135-A347 HydrophobicContact CD1-CB 4.23Å; L135-A347 HydrophobicContact CD2-CB 3.88Å; L135-A347 HydrophobicContact CG-CB 3.67Å; F343-A347 WeakPolarHBondContact O-CB 3.33Å; F343-A347 PolarHBondContact O-N 3.48Å; A347-I352 VanDerWaalsContact O-CG1 3.31Å; A347-I352 WeakPolarHBondContact O-CG1 3.33Å; A347-I352 PolarHBondContact O-N 2.91Å |
| 348 | T | 96.1 | Very high | 92.2 | Very high | 59 Ų | 59 | 32.3 Ų | 32.3 | 36% | 0.362 | 17% | 0.172 | S | C | . | . | I | π-helix | trans | -84.3 | -34.5 | -172 | 59.8 | 0 | 0 | 0 | 0 | 114.7 | L135 I344 Y345 I346 I352 P353 | L135-T348 HydrophobicContact CD2-CG2 4.19Å; I344-T348 HydrophobicContact CG2-CG2 4.31Å; I344-T348 WeakPolarHBondContact O-CB 3.32Å; I344-T348 WeakPolarHBondContact O-CG2 3.38Å; I344-T348 PolarHBondContact O-N 3.45Å; I344-T348 PolarHBondContact O-OG1 3.42Å; Y345-T348 PolarHBondContact O-N 3.44Å; I346-T348 PolarHBondContact O-N 3.41Å; T348-I352 HydrophobicContact CG2-CD1 4.45Å; T348-P353 VanDerWaalsContact O-CD 3.28Å; T348-P353 WeakPolarHBondContact O-CD 3.31Å |
| 349 | V | 94.2 | Very high | 91.2 | Very high | 65 Ų | 65 | 35.1 Ų | 35.1 | 39% | 0.394 | 20% | 0.197 | S | C | . | . | I | π-helix | trans | -101.9 | -30.5 | -174 | -176.5 | 0 | 0 | 0 | 0 | 112 | Y345 P353 | Y345-V349 HydrophobicContact CD1-CB 4.43Å; Y345-V349 HydrophobicContact CD2-CB 4.39Å; Y345-V349 HydrophobicContact CD2-CG2 3.88Å; Y345-V349 HydrophobicContact CE1-CB 4.18Å; Y345-V349 HydrophobicContact CE1-CG1 4.27Å; Y345-V349 HydrophobicContact CE2-CB 4.13Å; Y345-V349 HydrophobicContact CE2-CG1 4.18Å; Y345-V349 HydrophobicContact CE2-CG2 3.8Å; Y345-V349 HydrophobicContact CG-CG2 4.35Å; Y345-V349 WeakPolarHBondContact O-CA 3.48Å; Y345-V349 VanDerWaalsContact O-CB 3.26Å; Y345-V349 WeakPolarHBondContact O-CB 3.25Å; Y345-V349 PolarHBondContact O-N 3.48Å; V349-P353 WeakPolarHBondContact O-CG 3.47Å |
| 350 | S | 91.1 | Very high | 91 | Very high | 24 Ų | 24 | 36.6 Ų | 36.6 | 17% | 0.168 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -99.5 | -39.3 | -177.9 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | I346 | I346-S350 WeakPolarHBondContact O-CA 3.4Å; I346-S350 WeakPolarHBondContact O-CB 3.33Å; I346-S350 PolarHBondContact O-N 2.95Å |
| 351 | I | 93 | Very high | 90.7 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -95.7 | -55.5 | -172.7 | -55.4 | 175.9 | 0 | 0 | 0 | 112.5 | L127 A130 L134 I288 I346 E354 L355 | L127-I351 HydrophobicContact CB-CG2 3.98Å; L127-I351 HydrophobicContact CD2-CG2 4.47Å; L127-I351 VanDerWaalsContact O-CG2 3.31Å; L127-I351 WeakPolarHBondContact O-CG2 3.24Å; A130-I351 HydrophobicContact CB-CD1 4.21Å; L134-I351 HydrophobicContact CD1-CD1 3.92Å; I288-I351 HydrophobicContact CD1-CD1 3.5Å; I288-I351 VanDerWaalsContact CD1-CD1 3.5Å; I288-I351 HydrophobicContact CD1-CG1 4.32Å; I288-I351 HydrophobicContact CG1-CD1 3.84Å; I288-I351 HydrophobicContact CG1-CG1 4.27Å; I346-I351 HydrophobicContact CG2-CD1 4.07Å; I346-I351 HydrophobicContact CG2-CG1 4.26Å; I346-I351 PolarHBondContact O-N 2.94Å; I351-E354 WeakPolarHBondContact O-CB 3.39Å; I351-E354 PolarHBondContact O-N 2.94Å; I351-L355 HydrophobicContact CG2-CD1 4.14Å; I351-L355 HydrophobicContact CG2-CG 4.31Å; I351-L355 PolarHBondContact O-N 3.15Å; I351-L355 VanDerWaalsContact O-N 3.16Å |
| 352 | I | 93.6 | Very high | 90.4 | Very high | 48 Ų | 48 | 51.6 Ų | 51.6 | 25% | 0.246 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.2 | -44.9 | -175.7 | -74.6 | 175 | 0 | 0 | 0 | 112.5 | A347 T348 E354 L355 L356 M371 | A347-I352 VanDerWaalsContact O-CG1 3.31Å; A347-I352 WeakPolarHBondContact O-CG1 3.33Å; A347-I352 PolarHBondContact O-N 2.91Å; T348-I352 HydrophobicContact CG2-CD1 4.45Å; I352-E354 VanDerWaalsContact C-N 3.27Å; I352-E354 PolarHBondContact O-N 3.11Å; I352-L355 WeakPolarHBondContact O-CB 3.4Å; I352-L355 PolarHBondContact O-N 2.8Å; I352-L356 HydrophobicContact CG2-CD1 4.1Å; I352-L356 HydrophobicContact CG2-CG 4.34Å; I352-L356 WeakPolarHBondContact O-CG 3.19Å; I352-L356 PolarHBondContact O-N 2.82Å; I352-L356 VanDerWaalsContact O-N 3.11Å; I352-M371 HydrophobicContact CG1-CE 4.22Å |
| 353 | P | 91.2 | Very high | 90.1 | Very high | 60 Ų | 60 | 56 Ų | 56 | 39% | 0.39 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.1 | -36.8 | 178.5 | -28.2 | 39.1 | 0 | 0 | 0 | 113.4 | T348 V349 L355 L356 | T348-P353 VanDerWaalsContact O-CD 3.28Å; T348-P353 WeakPolarHBondContact O-CD 3.31Å; V349-P353 WeakPolarHBondContact O-CG 3.47Å; P353-L355 VanDerWaalsContact C-N 3.33Å; P353-L355 PolarHBondContact O-N 2.83Å; P353-L356 PolarHBondContact O-N 3.38Å |
| 354 | E | 87.2 | Confident | 89.9 | Confident | 32 Ų | 32 | 58.1 Ų | 58.1 | 15% | 0.15 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.7 | -32.5 | 176.1 | 178.2 | 79.1 | -145.1 | 0 | 0 | 111.6 | K124 L127 Q291 I351 I352 L356 | K124-E354 HydrophobicContact CD-CG 4.41Å; K124-E354 PolarHBondContact NZ-O 3.19Å; K124-E354 IonicContact NZ-OE1 2.65Å; K124-E354 PolarHBondContact NZ-OE1 3.39Å; L127-E354 HydrophobicContact CD1-CG 4.37Å; Q291-E354 PolarHBondContact NE2-OE1 2.99Å; Q291-E354 PolarHBondContact NE2-OE2 3.44Å; Q291-E354 VanDerWaalsContact NE2-OE2 3.17Å; I351-E354 WeakPolarHBondContact O-CB 3.39Å; I351-E354 PolarHBondContact O-N 2.94Å; I352-E354 VanDerWaalsContact C-N 3.27Å; I352-E354 PolarHBondContact O-N 3.11Å; E354-L356 VanDerWaalsContact C-N 3.34Å |
| 355 | L | 89.7 | Confident | 89.7 | Confident | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.068 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.8 | -31.4 | 174.4 | -59.7 | 176 | 0 | 0 | 0 | 112.2 | K124 L127 A128 I351 I352 P353 E357 Q367 M371 | K124-L355 HydrophobicContact CB-CD2 4.37Å; K124-L355 HydrophobicContact CD-CD2 4.38Å; K124-L355 VanDerWaalsContact O-CD2 3.27Å; K124-L355 WeakPolarHBondContact O-CD2 3.23Å; L127-L355 HydrophobicContact CB-CD2 4.07Å; A128-L355 HydrophobicContact CB-CD1 3.79Å; A128-L355 HydrophobicContact CB-CD2 4.13Å; I351-L355 HydrophobicContact CG2-CD1 4.14Å; I351-L355 HydrophobicContact CG2-CG 4.31Å; I351-L355 PolarHBondContact O-N 3.15Å; I351-L355 VanDerWaalsContact O-N 3.16Å; I352-L355 WeakPolarHBondContact O-CB 3.4Å; I352-L355 PolarHBondContact O-N 2.8Å; P353-L355 VanDerWaalsContact C-N 3.33Å; P353-L355 PolarHBondContact O-N 2.83Å; L355-E357 VanDerWaalsContact C-N 3.27Å; L355-E357 PolarHBondContact O-N 3.27Å; L355-Q367 HydrophobicContact CD2-CG 4.47Å; L355-M371 HydrophobicContact CD1-CE 3.88Å |
| 356 | L | 89.5 | Confident | 89.5 | Confident | 122 Ų | 122 | 66.3 Ų | 66.3 | 64% | 0.639 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -13.7 | -179.9 | -65.8 | 174.5 | 0 | 0 | 0 | 113.9 | I352 P353 E354 D358 C359 | I352-L356 HydrophobicContact CG2-CD1 4.1Å; I352-L356 HydrophobicContact CG2-CG 4.34Å; I352-L356 WeakPolarHBondContact O-CG 3.19Å; I352-L356 PolarHBondContact O-N 2.82Å; I352-L356 VanDerWaalsContact O-N 3.11Å; P353-L356 PolarHBondContact O-N 3.38Å; E354-L356 VanDerWaalsContact C-N 3.34Å; L356-D358 VanDerWaalsContact C-N 3.32Å; L356-C359 PolarHBondContact O-SG 3.45Å |
| 357 | E | 84.4 | Confident | 89.4 | Confident | 137 Ų | 137 | 67.1 Ų | 67.1 | 64% | 0.64 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -23.8 | 176.7 | -64.7 | -174.3 | 161.1 | 0 | 0 | 113.2 | L355 | L355-E357 VanDerWaalsContact C-N 3.27Å; L355-E357 PolarHBondContact O-N 3.27Å |
| 358 | D | 73.3 | Confident | 89.4 | Confident | 28 Ų | 28 | 71.8 Ų | 71.8 | 15% | 0.15 | 38% | 0.378 | C | S | . | . | trans | -104.7 | 79.3 | -174.8 | -97.2 | -56.9 | 0 | 0 | 0 | 112.2 | K124 L356 G360 K363 | K124-D358 VanDerWaalsContact CE-OD2 3.23Å; K124-D358 WeakPolarHBondContact CE-OD2 3.18Å; K124-D358 IonicContact NZ-OD2 3.79Å; L356-D358 VanDerWaalsContact C-N 3.32Å; D358-G360 VanDerWaalsContact C-N 3.3Å; D358-G360 PolarHBondContact O-N 3.15Å; D358-G360 VanDerWaalsContact O-N 3.1Å; D358-K363 HydrophobicContact CB-CD 4.36Å; D358-K363 IonicContact OD1-NZ 2.84Å; D358-K363 PolarHBondContact OD1-NZ 3.18Å | ||
| 359 | C | 73.1 | Confident | 89.4 | Confident | 109 Ų | 109 | 73.3 Ų | 73.3 | 74% | 0.736 | 39% | 0.387 | S | S | * | . | trans | -83.1 | 25 | -170.7 | -61.2 | 0 | 0 | 0 | 0 | 116.7 | L356 | L356-C359 PolarHBondContact O-SG 3.45Š| ||
| 360 | G | 86.1 | Confident | 89.4 | Confident | 32 Ų | 32 | 70.8 Ų | 70.8 | 33% | 0.33 | 37% | 0.373 | S | S | . | . | trans | -76.9 | 124.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D358 W362 K363 S364 | D358-G360 VanDerWaalsContact C-N 3.3Å; D358-G360 PolarHBondContact O-N 3.15Å; D358-G360 VanDerWaalsContact O-N 3.1Å; G360-W362 VanDerWaalsContact C-N 3.29Å; G360-W362 PolarHBondContact O-N 3.39Å; G360-K363 WeakPolarHBondContact O-CA 3.3Å; G360-K363 WeakPolarHBondContact O-CB 3.44Å; G360-K363 PolarHBondContact O-N 3.21Å; G360-S364 PolarHBondContact O-N 2.77Å; G360-S364 PolarHBondContact O-OG 2.97Å | ||
| 361 | I | 89.4 | Confident | 89.7 | Confident | 125 Ų | 125 | 71.4 Ų | 71.4 | 64% | 0.641 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -49.3 | -44.8 | -171.5 | -156.9 | 162.9 | 0 | 0 | 0 | 114.2 | S364 I365 | I361-S364 PolarHBondContact O-N 3.03Å; I361-I365 HydrophobicContact CG1-CD1 4.38Å; I361-I365 VanDerWaalsContact O-CG1 3.29Å; I361-I365 WeakPolarHBondContact O-CG1 3.25Å; I361-I365 PolarHBondContact O-N 2.7Å |
| 362 | W | 89.2 | Confident | 89.8 | Confident | 190 Ų | 190 | 75.9 Ų | 75.9 | 72% | 0.72 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -72 | -31.3 | 178.4 | -74.2 | 109.4 | 0 | 0 | 0 | 113.4 | G360 K366 | G360-W362 VanDerWaalsContact C-N 3.29Å; G360-W362 PolarHBondContact O-N 3.39Å; W362-K366 VanDerWaalsContact O-CG 3.29Å; W362-K366 WeakPolarHBondContact O-CG 3.45Å; W362-K366 PolarHBondContact O-N 2.85Å |
| 363 | K | 89.8 | Confident | 89.9 | Confident | 92 Ų | 92 | 76.2 Ų | 76.2 | 40% | 0.4 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.8 | -47.4 | 173.1 | -63.5 | -177.8 | 177.1 | -177.3 | 0 | 109.4 | D358 G360 I365 K366 Q367 | D358-K363 HydrophobicContact CB-CD 4.36Å; D358-K363 IonicContact OD1-NZ 2.84Å; D358-K363 PolarHBondContact OD1-NZ 3.18Å; G360-K363 WeakPolarHBondContact O-CA 3.3Å; G360-K363 WeakPolarHBondContact O-CB 3.44Å; G360-K363 PolarHBondContact O-N 3.21Å; K363-I365 PolarHBondContact O-N 2.91Å; K363-K366 PolarHBondContact O-N 3.43Å; K363-Q367 VanDerWaalsContact O-CG 3.32Å; K363-Q367 WeakPolarHBondContact O-CG 3.4Å; K363-Q367 PolarHBondContact O-N 3.48Å |
| 364 | S | 91 | Very high | 90.1 | Very high | 46 Ų | 46 | 73.4 Ų | 73.4 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 179.1 | -50.2 | 0 | 0 | 0 | 0 | 112.2 | G360 I361 K366 Q367 L368 | G360-S364 PolarHBondContact O-N 2.77Å; G360-S364 PolarHBondContact O-OG 2.97Å; I361-S364 PolarHBondContact O-N 3.03Å; S364-K366 PolarHBondContact O-N 2.85Å; S364-Q367 PolarHBondContact O-N 3.48Å; S364-L368 WeakPolarHBondContact O-CB 3.25Å; S364-L368 PolarHBondContact O-N 2.87Å |
| 365 | I | 93.2 | Very high | 90.5 | Very high | 81 Ų | 81 | 74.5 Ų | 74.5 | 42% | 0.415 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 173.5 | -70.6 | 166.7 | 0 | 0 | 0 | 110.9 | I361 K363 Q367 L368 V369 | I361-I365 HydrophobicContact CG1-CD1 4.38Å; I361-I365 VanDerWaalsContact O-CG1 3.29Å; I361-I365 WeakPolarHBondContact O-CG1 3.25Å; I361-I365 PolarHBondContact O-N 2.7Å; K363-I365 PolarHBondContact O-N 2.91Å; I365-Q367 PolarHBondContact O-N 3.18Å; I365-L368 PolarHBondContact O-N 3.16Å; I365-V369 HydrophobicContact CG2-CG2 4.38Å; I365-V369 WeakPolarHBondContact O-CB 3.13Å; I365-V369 VanDerWaalsContact O-CG2 3.3Å; I365-V369 WeakPolarHBondContact O-CG2 3.33Å; I365-V369 PolarHBondContact O-N 3.39Å |
| 366 | K | 92.9 | Very high | 90.8 | Very high | 126 Ų | 126 | 79.8 Ų | 79.8 | 55% | 0.548 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 178.3 | -74.8 | 175.5 | -176.7 | -179.9 | 0 | 112.3 | W362 K363 S364 A370 | W362-K366 VanDerWaalsContact O-CG 3.29Å; W362-K366 WeakPolarHBondContact O-CG 3.45Å; W362-K366 PolarHBondContact O-N 2.85Å; K363-K366 PolarHBondContact O-N 3.43Å; S364-K366 PolarHBondContact O-N 2.85Å; K366-A370 WeakPolarHBondContact O-CB 3.29Å; K366-A370 PolarHBondContact O-N 3.43Å |
| 367 | Q | 93.6 | Very high | 90.8 | Very high | 16 Ų | 16 | 74.4 Ų | 74.4 | 8% | 0.075 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 176.4 | -70.6 | 163.3 | -7.6 | 0 | 0 | 111 | A128 L355 K363 S364 I365 V369 A370 M371 | A128-Q367 HydrophobicContact CB-CB 3.78Å; A128-Q367 HydrophobicContact CB-CG 4.23Å; A128-Q367 WeakPolarHBondContact CB-O 3.42Å; L355-Q367 HydrophobicContact CD2-CG 4.47Å; K363-Q367 VanDerWaalsContact O-CG 3.32Å; K363-Q367 WeakPolarHBondContact O-CG 3.4Å; K363-Q367 PolarHBondContact O-N 3.48Å; S364-Q367 PolarHBondContact O-N 3.48Å; I365-Q367 PolarHBondContact O-N 3.18Å; Q367-V369 PolarHBondContact O-N 2.8Å; Q367-A370 PolarHBondContact O-N 3.49Å; Q367-M371 WeakPolarHBondContact O-CB 3.42Å; Q367-M371 PolarHBondContact O-N 3.17Å |
| 368 | L | 94.9 | Very high | 91.2 | Very high | 99 Ų | 99 | 68.1 Ų | 68.1 | 52% | 0.518 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 178 | -177.7 | 63.2 | 0 | 0 | 0 | 111.8 | S364 I365 A370 M371 L372 | S364-L368 WeakPolarHBondContact O-CB 3.25Å; S364-L368 PolarHBondContact O-N 2.87Å; I365-L368 PolarHBondContact O-N 3.16Å; L368-A370 VanDerWaalsContact C-N 3.31Å; L368-A370 PolarHBondContact O-N 2.98Å; L368-M371 PolarHBondContact O-N 3.22Å; L368-L372 HydrophobicContact CD1-CD1 4.44Å; L368-L372 HydrophobicContact CD1-CG 4.38Å; L368-L372 HydrophobicContact CG-CD1 4.19Å; L368-L372 WeakPolarHBondContact O-CB 3.47Å; L368-L372 WeakPolarHBondContact O-CG 3.28Å; L368-L372 PolarHBondContact O-N 3.5Å |
| 369 | V | 96.1 | Very high | 92 | Very high | 91 Ų | 91 | 69.2 Ų | 69.2 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.9 | -41.9 | 175.4 | 170 | 0 | 0 | 0 | 0 | 111 | I365 Q367 F373 | I365-V369 HydrophobicContact CG2-CG2 4.38Å; I365-V369 WeakPolarHBondContact O-CB 3.13Å; I365-V369 VanDerWaalsContact O-CG2 3.3Å; I365-V369 WeakPolarHBondContact O-CG2 3.33Å; I365-V369 PolarHBondContact O-N 3.39Å; Q367-V369 PolarHBondContact O-N 2.8Å; V369-F373 WeakPolarHBondContact O-CB 3.34Å; V369-F373 PolarHBondContact O-N 3.28Å |
| 370 | A | 95.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 66.3 Ų | 66.3 | 10% | 0.099 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T125 A128 F129 K366 Q367 L368 F373 G374 | T125-A370 HydrophobicContact CG2-CB 3.66Å; T125-A370 WeakPolarHBondContact O-CB 3.33Å; A128-A370 HydrophobicContact CB-CB 4.31Å; F129-A370 WeakPolarHBondContact CA-O 3.45Å; F129-A370 HydrophobicContact CB-CB 4.32Å; K366-A370 WeakPolarHBondContact O-CB 3.29Å; K366-A370 PolarHBondContact O-N 3.43Å; Q367-A370 PolarHBondContact O-N 3.49Å; L368-A370 VanDerWaalsContact C-N 3.31Å; L368-A370 PolarHBondContact O-N 2.98Å; A370-F373 PolarHBondContact O-N 3.42Å; A370-G374 PolarHBondContact O-N 2.88Å |
| 371 | M | 96.1 | Very high | 92.7 | Very high | 36 Ų | 36 | 65.1 Ų | 65.1 | 18% | 0.177 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.8 | -49 | 175.1 | -176.9 | -176.7 | -73.2 | 0 | 0 | 111.8 | A128 G132 I352 L355 Q367 L368 F373 G374 I375 | A128-M371 HydrophobicContact CB-CB 4.4Å; A128-M371 WeakPolarHBondContact O-CA 3.12Å; A128-M371 WeakPolarHBondContact O-CB 3.32Å; G132-M371 WeakPolarHBondContact CA-O 3.4Å; I352-M371 HydrophobicContact CG1-CE 4.22Å; L355-M371 HydrophobicContact CD1-CE 3.88Å; Q367-M371 WeakPolarHBondContact O-CB 3.42Å; Q367-M371 PolarHBondContact O-N 3.17Å; L368-M371 PolarHBondContact O-N 3.22Å; M371-F373 PolarHBondContact O-N 2.8Å; M371-G374 PolarHBondContact O-N 3.11Å; M371-G374 VanDerWaalsContact O-N 3.12Å; M371-I375 HydrophobicContact CG-CD1 4.46Å; M371-I375 WeakPolarHBondContact O-CG1 3.32Å; M371-I375 PolarHBondContact O-N 2.95Å |
| 372 | L | 96.8 | Very high | 92.4 | Very high | 98 Ų | 98 | 61.1 Ų | 61.1 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.9 | -36.3 | 175.5 | -70.4 | 175.4 | 0 | 0 | 0 | 111.7 | L368 I375 Y376 | L368-L372 HydrophobicContact CD1-CD1 4.44Å; L368-L372 HydrophobicContact CD1-CG 4.38Å; L368-L372 HydrophobicContact CG-CD1 4.19Å; L368-L372 WeakPolarHBondContact O-CB 3.47Å; L368-L372 WeakPolarHBondContact O-CG 3.28Å; L368-L372 PolarHBondContact O-N 3.5Å; L372-I375 PolarHBondContact O-N 2.85Å; L372-Y376 VanDerWaalsContact O-CB 3.26Å; L372-Y376 WeakPolarHBondContact O-CB 3.43Å; L372-Y376 PolarHBondContact O-N 2.95Å |
| 373 | F | 95.5 | Very high | 92.1 | Very high | 56 Ų | 56 | 57.7 Ų | 57.7 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 175 | -179.4 | -105.5 | 0 | 0 | 0 | 112.1 | L8 F129 V369 A370 M371 Y376 M377 | L8-F373 HydrophobicContact CB-CZ 4.12Å; L8-F373 HydrophobicContact CD1-CD1 4.47Å; L8-F373 HydrophobicContact CD1-CE1 3.59Å; L8-F373 HydrophobicContact CD1-CZ 3.95Å; L8-F373 HydrophobicContact CD2-CE1 3.45Å; L8-F373 VanDerWaalsContact CD2-CE1 3.45Å; L8-F373 HydrophobicContact CD2-CZ 3.71Å; L8-F373 HydrophobicContact CG-CE1 4.01Å; L8-F373 HydrophobicContact CG-CZ 4.12Å; F129-F373 AromaticContact CD2-CD1 3.77Å; F129-F373 HydrophobicContact CD2-CD1 3.77Å; F129-F373 HydrophobicContact CD2-CE1 4.36Å; F129-F373 AromaticContact CE2-CD1 3.62Å; F129-F373 HydrophobicContact CE2-CD1 3.62Å; F129-F373 AromaticContact CE2-CE1 3.81Å; F129-F373 HydrophobicContact CE2-CE1 3.81Å; V369-F373 WeakPolarHBondContact O-CB 3.34Å; V369-F373 PolarHBondContact O-N 3.28Å; A370-F373 PolarHBondContact O-N 3.42Å; M371-F373 PolarHBondContact O-N 2.8Å; F373-Y376 PolarHBondContact O-N 3.35Å; F373-M377 HydrophobicContact CD1-CG 4.47Å; F373-M377 HydrophobicContact CE1-CG 3.96Å; F373-M377 HydrophobicContact CE2-CG 4.22Å; F373-M377 HydrophobicContact CE2-SD 4.32Å; F373-M377 HydrophobicContact CZ-CG 3.82Å; F373-M377 HydrophobicContact CZ-SD 3.9Å; F373-M377 WeakPolarHBondContact O-CG 3.39Å; F373-M377 PolarHBondContact O-N 3.31Å |
| 374 | G | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60 | -46.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A370 M371 M377 M378 | A370-G374 PolarHBondContact O-N 2.88Å; M371-G374 PolarHBondContact O-N 3.11Å; M371-G374 VanDerWaalsContact O-N 3.12Å; G374-M377 PolarHBondContact O-N 3.11Å; G374-M378 WeakPolarHBondContact O-CG 3.24Å; G374-M378 PolarHBondContact O-N 3.06Å |
| 375 | I | 95.7 | Very high | 90.3 | Very high | 55 Ų | 55 | 57 Ų | 57 | 28% | 0.282 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 175.5 | -63.6 | 167.3 | 0 | 0 | 0 | 110.7 | G132 L140 M371 L372 M377 M378 V379 | G132-I375 VanDerWaalsContact O-CG1 3.25Å; G132-I375 WeakPolarHBondContact O-CG1 3.45Å; L140-I375 HydrophobicContact CD1-CG2 4.48Å; M371-I375 HydrophobicContact CG-CD1 4.46Å; M371-I375 WeakPolarHBondContact O-CG1 3.32Å; M371-I375 PolarHBondContact O-N 2.95Å; L372-I375 PolarHBondContact O-N 2.85Å; I375-M377 VanDerWaalsContact C-N 3.32Å; I375-M377 PolarHBondContact O-N 3.4Å; I375-M378 WeakPolarHBondContact O-CB 3.42Å; I375-M378 PolarHBondContact O-N 2.92Å; I375-M378 VanDerWaalsContact O-N 3.09Å; I375-V379 WeakPolarHBondContact O-CG2 3.33Å; I375-V379 PolarHBondContact O-N 3.46Å |
| 376 | Y | 94.7 | Very high | 90.2 | Very high | 124 Ų | 124 | 55.8 Ų | 55.8 | 49% | 0.486 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 179.7 | 176 | -105.4 | 0 | 0 | 0 | 112.2 | L372 F373 M378 V379 L380 | L372-Y376 VanDerWaalsContact O-CB 3.26Å; L372-Y376 WeakPolarHBondContact O-CB 3.43Å; L372-Y376 PolarHBondContact O-N 2.95Å; F373-Y376 PolarHBondContact O-N 3.35Å; Y376-M378 VanDerWaalsContact C-N 3.32Å; Y376-M378 PolarHBondContact O-N 3.4Å; Y376-V379 WeakPolarHBondContact O-CB 3.23Å; Y376-V379 PolarHBondContact O-N 2.96Å; Y376-L380 HydrophobicContact CD1-CD1 4.08Å; Y376-L380 HydrophobicContact CD1-CG 4.45Å; Y376-L380 HydrophobicContact CE1-CD1 3.42Å; Y376-L380 VanDerWaalsContact CE1-CD1 3.42Å; Y376-L380 HydrophobicContact CE1-CG 3.98Å; Y376-L380 HydrophobicContact CE2-CD2 4.29Å; Y376-L380 HydrophobicContact CE2-CG 4.26Å; Y376-L380 WeakPolarHBondContact O-CG 3.21Å; Y376-L380 PolarHBondContact O-N 3.31Å |
| 377 | M | 91.1 | Very high | 90 | Very high | 9 Ų | 9 | 52.1 Ų | 52.1 | 4% | 0.044 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.1 | -45.1 | 172.3 | -76 | -67.1 | -66 | 0 | 0 | 111.2 | C11 P280 F373 G374 I375 V379 L380 I381 | C11-M377 HydrophobicContact CB-CE 3.82Å; P280-M377 HydrophobicContact CG-CB 4.46Å; P280-M377 HydrophobicContact CG-CE 4.22Å; F373-M377 HydrophobicContact CD1-CG 4.47Å; F373-M377 HydrophobicContact CE1-CG 3.96Å; F373-M377 HydrophobicContact CE2-CG 4.22Å; F373-M377 HydrophobicContact CE2-SD 4.32Å; F373-M377 HydrophobicContact CZ-CG 3.82Å; F373-M377 HydrophobicContact CZ-SD 3.9Å; F373-M377 WeakPolarHBondContact O-CG 3.39Å; F373-M377 PolarHBondContact O-N 3.31Å; G374-M377 PolarHBondContact O-N 3.11Å; I375-M377 VanDerWaalsContact C-N 3.32Å; I375-M377 PolarHBondContact O-N 3.4Å; M377-V379 VanDerWaalsContact C-N 3.35Å; M377-V379 PolarHBondContact O-N 2.85Å; M377-L380 PolarHBondContact O-N 3.15Å; M377-I381 WeakPolarHBondContact O-CD1 3.09Å; M377-I381 VanDerWaalsContact O-CG1 3.28Å; M377-I381 WeakPolarHBondContact O-CG1 3.34Å; M377-I381 PolarHBondContact O-N 3.4Å |
| 378 | M | 91.7 | Very high | 89.8 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.03 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 177 | -63.7 | -62.2 | 105.6 | 0 | 0 | 112.7 | S133 D137 L140 H277 P280 G374 I375 Y376 I381 S382 | S133-M378 WeakPolarHBondContact O-CG 3.41Å; D137-M378 HydrophobicContact CB-SD 4.02Å; L140-M378 HydrophobicContact CD1-CB 4.43Å; H277-M378 HydrophobicContact CB-CE 4.46Å; P280-M378 HydrophobicContact CB-CE 3.36Å; P280-M378 HydrophobicContact CG-CE 3.45Å; P280-M378 VanDerWaalsContact CG-CE 3.45Å; G374-M378 WeakPolarHBondContact O-CG 3.24Å; G374-M378 PolarHBondContact O-N 3.06Å; I375-M378 WeakPolarHBondContact O-CB 3.42Å; I375-M378 PolarHBondContact O-N 2.92Å; I375-M378 VanDerWaalsContact O-N 3.09Å; Y376-M378 VanDerWaalsContact C-N 3.32Å; Y376-M378 PolarHBondContact O-N 3.4Å; M378-I381 HydrophobicContact CE-CD1 3.63Å; M378-I381 PolarHBondContact O-N 2.88Å; M378-S382 WeakPolarHBondContact O-CB 3.38Å; M378-S382 PolarHBondContact O-N 3.17Å |
| 379 | V | 91.4 | Very high | 89.5 | Confident | 51 Ų | 51 | 51.5 Ų | 51.5 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 172.5 | 173.8 | 0 | 0 | 0 | 0 | 111 | L140 I375 Y376 M377 I381 S382 Q383 | L140-V379 HydrophobicContact CD1-CB 4.43Å; L140-V379 HydrophobicContact CD1-CG2 3.43Å; L140-V379 VanDerWaalsContact CD1-CG2 3.43Å; I375-V379 WeakPolarHBondContact O-CG2 3.33Å; I375-V379 PolarHBondContact O-N 3.46Å; Y376-V379 WeakPolarHBondContact O-CB 3.23Å; Y376-V379 PolarHBondContact O-N 2.96Å; M377-V379 VanDerWaalsContact C-N 3.35Å; M377-V379 PolarHBondContact O-N 2.85Å; V379-I381 VanDerWaalsContact C-N 3.32Å; V379-I381 PolarHBondContact O-N 3.13Å; V379-S382 PolarHBondContact O-N 3.1Å; V379-Q383 WeakPolarHBondContact O-CG 3.17Å; V379-Q383 PolarHBondContact O-N 3.39Å |
| 380 | L | 89 | Confident | 89.1 | Confident | 48 Ų | 48 | 49 Ų | 49 | 25% | 0.251 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 179.6 | -71.6 | -179 | 0 | 0 | 0 | 112 | Y376 M377 Q383 L384 | Y376-L380 HydrophobicContact CD1-CD1 4.08Å; Y376-L380 HydrophobicContact CD1-CG 4.45Å; Y376-L380 HydrophobicContact CE1-CD1 3.42Å; Y376-L380 VanDerWaalsContact CE1-CD1 3.42Å; Y376-L380 HydrophobicContact CE1-CG 3.98Å; Y376-L380 HydrophobicContact CE2-CD2 4.29Å; Y376-L380 HydrophobicContact CE2-CG 4.26Å; Y376-L380 WeakPolarHBondContact O-CG 3.21Å; Y376-L380 PolarHBondContact O-N 3.31Å; M377-L380 PolarHBondContact O-N 3.15Å; L380-Q383 PolarHBondContact O-N 3Å; L380-L384 WeakPolarHBondContact O-CG 3.18Å; L380-L384 PolarHBondContact O-N 3.37Å |
| 381 | I | 84.9 | Confident | 88.7 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.3 | -43.1 | -179.6 | -63.6 | 156.5 | 0 | 0 | 0 | 110.6 | L276 H277 P280 M377 M378 V379 Q383 L384 E385 | L276-I381 HydrophobicContact CB-CD1 4.43Å; L276-I381 HydrophobicContact CB-CG1 4.14Å; L276-I381 HydrophobicContact CB-CG2 4.36Å; L276-I381 VanDerWaalsContact O-CD1 3.31Å; L276-I381 WeakPolarHBondContact O-CD1 3.3Å; H277-I381 HydrophobicContact CB-CD1 4.16Å; H277-I381 HydrophobicContact CB-CG2 3.87Å; P280-I381 HydrophobicContact CG-CD1 4.2Å; M377-I381 WeakPolarHBondContact O-CD1 3.09Å; M377-I381 VanDerWaalsContact O-CG1 3.28Å; M377-I381 WeakPolarHBondContact O-CG1 3.34Å; M377-I381 PolarHBondContact O-N 3.4Å; M378-I381 HydrophobicContact CE-CD1 3.63Å; M378-I381 PolarHBondContact O-N 2.88Å; V379-I381 VanDerWaalsContact C-N 3.32Å; V379-I381 PolarHBondContact O-N 3.13Å; I381-Q383 PolarHBondContact O-N 3.36Å; I381-Q383 VanDerWaalsContact O-N 3.12Å; I381-L384 WeakPolarHBondContact O-CA 3.22Å; I381-L384 WeakPolarHBondContact O-CB 3.4Å; I381-L384 PolarHBondContact O-N 3.35Å; I381-E385 PolarHBondContact O-N 2.93Å |
| 382 | S | 83 | Confident | 88.2 | Confident | 40 Ų | 40 | 52.6 Ų | 52.6 | 28% | 0.28 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.8 | -22.8 | 174.5 | 174.7 | 0 | 0 | 0 | 0 | 113.6 | L140 M378 V379 | L140-S382 PolarHBondContact O-OG 3.24Å; M378-S382 WeakPolarHBondContact O-CB 3.38Å; M378-S382 PolarHBondContact O-N 3.17Å; V379-S382 PolarHBondContact O-N 3.1Å |
| 383 | Q | 82.9 | Confident | 87.5 | Confident | 118 Ų | 118 | 49.1 Ų | 49.1 | 55% | 0.551 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -19.7 | 172.7 | -72.4 | 175.1 | -8.7 | 0 | 0 | 114 | V379 L380 I381 | V379-Q383 WeakPolarHBondContact O-CG 3.17Å; V379-Q383 PolarHBondContact O-N 3.39Å; L380-Q383 PolarHBondContact O-N 3Å; I381-Q383 PolarHBondContact O-N 3.36Å; I381-Q383 VanDerWaalsContact O-N 3.12Å |
| 384 | L | 74.5 | Confident | 86.9 | Confident | 67 Ų | 67 | 48.5 Ų | 48.5 | 35% | 0.351 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -26.5 | 175.6 | -65.1 | 171.2 | 0 | 0 | 0 | 111.7 | L276 L380 I381 | L276-L384 HydrophobicContact CD1-CD1 3.72Å; L380-L384 WeakPolarHBondContact O-CG 3.18Å; L380-L384 PolarHBondContact O-N 3.37Å; I381-L384 WeakPolarHBondContact O-CA 3.22Å; I381-L384 WeakPolarHBondContact O-CB 3.4Å; I381-L384 PolarHBondContact O-N 3.35Å |
| 385 | E | 68.1 | Low | 86.1 | Confident | 57 Ų | 57 | 52.9 Ų | 52.9 | 27% | 0.266 | 26% | 0.262 | S | S | . | . | trans | -72 | 0 | 166.5 | -75.3 | -179.3 | 146.2 | 0 | 0 | 114.4 | Y55 H141 T273 H277 I381 | Y55-E385 VanDerWaalsContact CE1-C 3.42Å; Y55-E385 WeakPolarHBondContact CE1-O 3.31Å; Y55-E385 PolarHBondContact OH-O 3.02Å; Y55-E385 PolarHBondContact OH-OXT 3.27Å; H141-E385 IonicContact CE1-OE1 3.89Å; H141-E385 PolarHBondContact CE1-OE1 3.38Å; H141-E385 IonicContact CE1-OE2 3.48Å; H141-E385 PolarHBondContact CE1-OE2 3.39Å; H141-E385 VanDerWaalsContact CE1-OE2 3.24Å; H141-E385 IonicContact CG-OE2 3.8Å; H141-E385 IonicContact ND1-OE1 3.44Å; H141-E385 PolarHBondContact ND1-OE1 3.42Å; H141-E385 IonicContact ND1-OE2 3.7Å; H141-E385 PolarHBondContact ND1-OE2 3.18Å; H141-E385 IonicContact NE2-OE1 3.48Å; T273-E385 HydrophobicContact CG2-CB 4.11Å; T273-E385 HydrophobicContact CG2-CG 2.97Å; H277-E385 IonicContact CE1-OE1 3.65Å; H277-E385 PolarHBondContact CE1-OE1 3.32Å; H277-E385 IonicContact ND1-OE1 3.98Å; H277-E385 PolarHBondContact ND1-OE1 2.88Å; I381-E385 PolarHBondContact O-N 2.93Å |
Retrieved 385 of 385 residues in 374.1 ms
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