| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 26.5 | Very low | 32.6 | Very low | 239 Ų | 239 | 123.6 Ų | 123.6 | 100% | 1.177 | 64% | 0.643 | S | S | * | * | 0 | 90 | 0 | -176 | -174.1 | -127.1 | 0 | 0 | 103.9 | |||||
| 2 | S | 30.2 | Very low | 32.5 | Very low | 39 Ų | 39 | 124.7 Ų | 124.7 | 27% | 0.273 | 66% | 0.659 | S | S | . | * | trans | -142.1 | 111.9 | -154.6 | -41.8 | 0 | 0 | 0 | 0 | 108.9 | E194 | S2-E194 VanDerWaalsContact CB-OE1 3.27Å; S2-E194 WeakPolarHBondContact CB-OE1 3.47Å; S2-E194 PolarHBondContact OG-OE1 3.49Å | ||
| 3 | Q | 31.1 | Very low | 31.9 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 52% | 0.523 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -89.9 | 121.5 | 179.5 | -76.5 | 175.8 | -32.2 | 0 | 0 | 109.5 | Y5 P193 | Q3-Y5 HydrophobicContact CB-CD2 4.22Å; Q3-Y5 HydrophobicContact CB-CE2 3.58Å; Q3-Y5 WeakPolarHBondContact O-CD2 3.38Å; Q3-Y5 PolarHBondContact OE1-OH 3.19Å; Q3-P193 WeakPolarHBondContact O-CG 3.46Å |
| 4 | V | 40.3 | Very low | 31.4 | Very low | 41 Ų | 41 | 124.4 Ų | 124.4 | 25% | 0.248 | 69% | 0.686 | C | S | . | * | P | Polyproline II helix | trans | -85.6 | 121.4 | 170.7 | 176.9 | 0 | 0 | 0 | 0 | 107.7 | F190 V301 | V4-F190 HydrophobicContact CG1-CB 4.05Å; V4-F190 HydrophobicContact CG1-CD1 3.96Å; V4-V301 HydrophobicContact CB-CG2 4.42Å; V4-V301 HydrophobicContact CG2-CG1 4.44Å |
| 5 | Y | 40.1 | Very low | 31.1 | Very low | 148 Ų | 148 | 125.3 Ų | 125.3 | 58% | 0.58 | 70% | 0.696 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 137.4 | 179.3 | -71.2 | -87.2 | 0 | 0 | 0 | 111.1 | Q3 T191 | Q3-Y5 HydrophobicContact CB-CD2 4.22Å; Q3-Y5 HydrophobicContact CB-CE2 3.58Å; Q3-Y5 WeakPolarHBondContact O-CD2 3.38Å; Q3-Y5 PolarHBondContact OE1-OH 3.19Å; Y5-T191 PolarHBondContact O-N 3.15Å |
| 6 | L | 39.1 | Very low | 30.9 | Very low | 79 Ų | 79 | 123.9 Ų | 123.9 | 41% | 0.414 | 70% | 0.698 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.6 | 172.1 | -160.5 | 101.4 | 0 | 0 | 0 | 108.5 | F190 V207 | L6-F190 HydrophobicContact CD1-CD1 4.31Å; L6-F190 HydrophobicContact CD1-CE1 4.11Å; L6-F190 HydrophobicContact CD1-CZ 4.41Å; L6-V207 HydrophobicContact CD1-CG1 4.28Å; L6-V207 HydrophobicContact CD2-CG1 4.28Å |
| 7 | H | 36.4 | Very low | 30.8 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | -100.9 | 115.6 | 170.9 | -142.1 | -54.4 | 0 | 0 | 0 | 109.1 | ||||
| 8 | S | 28.3 | Very low | 30.7 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | trans | -73.8 | 127.9 | 159.8 | 64.5 | 0 | 0 | 0 | 0 | 107.8 | N10 | S8-N10 PolarHBondContact O-N 3.33Š| ||
| 9 | S | 31.5 | Very low | 30.5 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | trans | -67.4 | 102.4 | 175 | 20.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 10 | N | 28.5 | Very low | 30.4 | Very low | 150 Ų | 150 | 124.5 Ų | 124.5 | 80% | 0.802 | 72% | 0.721 | S | S | * | * | trans | -167.2 | 139.6 | 146.2 | -97.4 | -19.4 | 0 | 0 | 0 | 112.3 | S8 | S8-N10 PolarHBondContact O-N 3.33Š| ||
| 11 | Q | 27 | Very low | 30.4 | Very low | 190 Ų | 190 | 126.6 Ų | 126.6 | 89% | 0.888 | 72% | 0.724 | S | S | * | * | trans | 89 | 99.2 | 169.2 | -72.1 | 176.6 | -13.3 | 0 | 0 | 119.7 | ||||
| 12 | T | 31.2 | Very low | 30.4 | Very low | 136 Ų | 136 | 121.5 Ų | 121.5 | 83% | 0.834 | 70% | 0.701 | S | S | * | * | trans | -49.6 | 131.6 | 151.8 | -9.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 13 | S | 24.4 | Very low | 30.3 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | trans | -163.9 | 109.3 | 149.9 | -95.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 14 | C | 25.5 | Very low | 30 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 87% | 0.865 | 73% | 0.732 | S | S | * | * | trans | -81.3 | 133 | 168.3 | -63.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 15 | T | 26.9 | Very low | 29.5 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | -138.8 | 121.9 | 159.6 | -31.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 16 | S | 27.9 | Very low | 29.2 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -86.2 | 144.2 | 175 | 62 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 17 | T | 29.6 | Very low | 28.7 | Very low | 146 Ų | 146 | 136 Ų | 136 | 90% | 0.896 | 79% | 0.785 | S | S | * | * | trans | -156.3 | 136.1 | 147.6 | 10.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 18 | N | 27.8 | Very low | 28.2 | Very low | 169 Ų | 169 | 135 Ų | 135 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | -81.7 | 158.9 | -177.5 | -67.4 | -32.3 | 0 | 0 | 0 | 113.2 | ||||
| 19 | G | 28 | Very low | 28.6 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | 127.4 | 97 | 135.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 20 | T | 28.3 | Very low | 28.5 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | 69.4 | 118.5 | 124 | -25.4 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 21 | E | 30.9 | Very low | 28.7 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 57.3 | 145.8 | 146 | -72.2 | -177 | 128.4 | 0 | 0 | 120.5 | ||||
| 22 | L | 26.5 | Very low | 28.6 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | cis | -172.6 | 142.5 | 40.6 | -161.5 | 77.1 | 0 | 0 | 0 | 111.9 | ||||
| 23 | K | 26.4 | Very low | 28.6 | Very low | 175 Ų | 175 | 138 Ų | 138 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | trans | 51.9 | 124 | 145.3 | -87.5 | 178 | 170.8 | 172.6 | 0 | 125.2 | ||||
| 24 | S | 26.3 | Very low | 28.8 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | 76.1 | 99.8 | 120.8 | 74 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 25 | I | 29.2 | Very low | 29 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | -143.2 | 111.1 | 129.6 | -56.1 | -176.1 | 0 | 0 | 0 | 107.1 | |||||
| 26 | I | 33.2 | Very low | 29.4 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | trans | -121.9 | 147 | 164.5 | -72.1 | 178.4 | 0 | 0 | 0 | 106 | ||||
| 27 | D | 28.5 | Very low | 29.9 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 93.5 | 122.2 | 179.8 | -52.1 | -31.1 | 0 | 0 | 0 | 113.4 | ||||
| 28 | N | 26.5 | Very low | 30.3 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | cis | -155.6 | 145.5 | 24 | -113.9 | -17.1 | 0 | 0 | 0 | 112.4 | ||||
| 29 | E | 37.6 | Very low | 31.3 | Very low | 180 Ų | 180 | 140.8 Ų | 140.8 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | trans | 12.8 | 108.3 | 153.1 | -68.2 | -179.4 | 140.9 | 0 | 0 | 118.6 | ||||
| 30 | T | 29.3 | Very low | 32.5 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | trans | -139.2 | 114.6 | 145.7 | 8.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 31 | T | 31.3 | Very low | 34.1 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | trans | 52.8 | 87.6 | 159.6 | 50.5 | 0 | 0 | 0 | 0 | 116.1 | E33 | T31-E33 PolarHBondContact O-N 2.91Š| ||
| 32 | N | 26.4 | Very low | 36.2 | Very low | 172 Ų | 172 | 131.7 Ų | 131.7 | 92% | 0.92 | 69% | 0.687 | S | S | * | * | trans | -63.7 | 74.3 | 153 | -90.3 | -28.6 | 0 | 0 | 0 | 109.6 | K34 | N32-K34 VanDerWaalsContact C-N 3.31Å; N32-K34 PolarHBondContact O-N 3.45Å | ||
| 33 | E | 29.8 | Very low | 38.9 | Very low | 143 Ų | 143 | 132 Ų | 132 | 67% | 0.668 | 69% | 0.688 | S | S | * | * | trans | -75.8 | 94.8 | 150.2 | -74.4 | -160.7 | 164.3 | 0 | 0 | 106.9 | T31 W35 | T31-E33 PolarHBondContact O-N 2.91Å; E33-W35 PolarHBondContact O-N 3.21Å; E33-W35 PolarHBondContact OE2-NE1 2.8Å | ||
| 34 | K | 28.3 | Very low | 41.8 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 77% | 0.765 | 69% | 0.689 | S | S | * | * | trans | -68.9 | 77.4 | 170.8 | -170.8 | 175.5 | -176.8 | 173.7 | 0 | 109 | N32 T36 | N32-K34 VanDerWaalsContact C-N 3.31Å; N32-K34 PolarHBondContact O-N 3.45Å; K34-T36 VanDerWaalsContact C-N 3.32Å; K34-T36 HydrophobicContact CG-CG2 4.47Å | ||
| 35 | W | 30.6 | Very low | 44.6 | Very low | 212 Ų | 212 | 131.1 Ų | 131.1 | 80% | 0.803 | 68% | 0.678 | S | S | * | * | trans | -94.7 | 65.3 | 161 | -62.7 | 107.8 | 0 | 0 | 0 | 108.8 | E33 E37 | E33-W35 PolarHBondContact O-N 3.21Å; E33-W35 PolarHBondContact OE2-NE1 2.8Å; W35-E37 PolarHBondContact O-N 3.28Å | ||
| 36 | T | 35.1 | Very low | 47.5 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 60% | 0.601 | 64% | 0.643 | S | S | * | * | trans | -80.2 | 99.1 | 158.8 | 46 | 0 | 0 | 0 | 0 | 106.2 | K34 | K34-T36 VanDerWaalsContact C-N 3.32Å; K34-T36 HydrophobicContact CG-CG2 4.47Å | ||
| 37 | E | 37.5 | Very low | 50.2 | Low | 151 Ų | 151 | 120.5 Ų | 120.5 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | 60 | 94.5 | 99.5 | -87.6 | -175 | 148.3 | 0 | 0 | 112.4 | W35 | W35-E37 PolarHBondContact O-N 3.28Š| |||
| 38 | D | 38 | Very low | 53.2 | Low | 140 Ų | 140 | 118.4 Ų | 118.4 | 75% | 0.749 | 62% | 0.621 | S | S | * | * | -147.6 | 112.4 | 127.2 | -93.4 | -34.8 | 0 | 0 | 0 | 107.9 | F40 | D38-F40 PolarHBondContact O-N 3.46Š| |||
| 39 | S | 48.8 | Very low | 56.3 | Low | 85 Ų | 85 | 112.5 Ų | 112.5 | 59% | 0.594 | 59% | 0.589 | S | S | * | * | trans | -70.2 | 25.8 | 174.5 | -40.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 40 | F | 53.8 | Low | 58.9 | Low | 104 Ų | 104 | 107.9 Ų | 107.9 | 46% | 0.456 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -93 | 134.3 | 168.1 | -84.5 | -85.5 | 0 | 0 | 0 | 108.3 | D38 G42 | D38-F40 PolarHBondContact O-N 3.46Å; F40-G42 PolarHBondContact O-N 3.28Å; F40-G42 VanDerWaalsContact O-N 3.08Å |
| 41 | P | 62.5 | Low | 62.1 | Low | 24 Ų | 24 | 106 Ų | 106 | 16% | 0.156 | 55% | 0.553 | C | S | . | * | P | Polyproline II helix | trans | -49.8 | 125.6 | 165.1 | 19 | -28.9 | 0 | 0 | 0 | 107.7 | I45 L46 | P41-I45 HydrophobicContact CB-CB 3.91Å; P41-I45 HydrophobicContact CB-CG2 3.7Å; P41-L46 HydrophobicContact CB-CD2 4.34Å; P41-L46 HydrophobicContact CB-CG 4.17Å; P41-L46 HydrophobicContact CG-CD1 4.33Å; P41-L46 HydrophobicContact CG-CD2 3.53Å; P41-L46 HydrophobicContact CG-CG 3.74Å; P41-L46 WeakPolarHBondContact O-CD1 3.4Å |
| 42 | G | 75.6 | Confident | 65.1 | Low | 42 Ų | 42 | 102.9 Ų | 102.9 | 43% | 0.433 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -48.8 | 147.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | F40 E44 I45 L46 | F40-G42 PolarHBondContact O-N 3.28Å; F40-G42 VanDerWaalsContact O-N 3.08Å; G42-E44 CarbonylContact O-C 3.57Å; G42-E44 PolarHBondContact O-N 2.92Å; G42-I45 WeakPolarHBondContact O-CA 3.36Å; G42-I45 WeakPolarHBondContact O-CB 3.44Å; G42-I45 PolarHBondContact O-N 3.25Å; G42-L46 PolarHBondContact O-N 3.18Å |
| 43 | L | 82.9 | Confident | 68.4 | Low | 139 Ų | 139 | 94.9 Ų | 94.9 | 73% | 0.728 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -46.9 | -34.7 | -174.2 | -177.7 | 63.9 | 0 | 0 | 0 | 113 | L46 C47 | L43-L46 PolarHBondContact O-N 3.39Å; L43-C47 WeakPolarHBondContact O-CB 3.43Å; L43-C47 PolarHBondContact O-N 3.41Å; L43-C47 PolarHBondContact O-SG 3.22Å |
| 44 | E | 85.7 | Confident | 71.5 | Confident | 165 Ų | 165 | 90.5 Ų | 90.5 | 77% | 0.771 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.5 | -42.3 | 174.6 | -57.6 | -170.3 | 163.3 | 0 | 0 | 113.9 | G42 T48 | G42-E44 CarbonylContact O-C 3.57Å; G42-E44 PolarHBondContact O-N 2.92Å; E44-T48 WeakPolarHBondContact O-CB 3.28Å; E44-T48 PolarHBondContact O-N 2.87Å; E44-T48 PolarHBondContact O-OG1 3.42Å |
| 45 | I | 86.3 | Confident | 74.7 | Confident | 88 Ų | 88 | 85.9 Ų | 85.9 | 45% | 0.451 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 177.6 | -60.7 | 174.9 | 0 | 0 | 0 | 109.5 | P41 G42 T48 I49 | P41-I45 HydrophobicContact CB-CB 3.91Å; P41-I45 HydrophobicContact CB-CG2 3.7Å; G42-I45 WeakPolarHBondContact O-CA 3.36Å; G42-I45 WeakPolarHBondContact O-CB 3.44Å; G42-I45 PolarHBondContact O-N 3.25Å; I45-T48 WeakPolarHBondContact O-CB 3.35Å; I45-T48 PolarHBondContact O-N 3.39Å; I45-I49 HydrophobicContact CG2-CD1 4Å; I45-I49 VanDerWaalsContact O-CG1 3.28Å; I45-I49 WeakPolarHBondContact O-CG1 3.5Å; I45-I49 PolarHBondContact O-N 2.96Å |
| 46 | L | 89 | Confident | 77.9 | Confident | 26 Ų | 26 | 76.1 Ų | 76.1 | 14% | 0.136 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 175.8 | -74.7 | 174 | 0 | 0 | 0 | 111.8 | P41 G42 L43 T48 I49 Y50 Y107 V108 | P41-L46 HydrophobicContact CB-CD2 4.34Å; P41-L46 HydrophobicContact CB-CG 4.17Å; P41-L46 HydrophobicContact CG-CD1 4.33Å; P41-L46 HydrophobicContact CG-CD2 3.53Å; P41-L46 HydrophobicContact CG-CG 3.74Å; P41-L46 WeakPolarHBondContact O-CD1 3.4Å; G42-L46 PolarHBondContact O-N 3.18Å; L43-L46 PolarHBondContact O-N 3.39Å; L46-T48 VanDerWaalsContact C-N 3.26Å; L46-T48 PolarHBondContact O-N 2.91Å; L46-I49 PolarHBondContact O-N 3.35Å; L46-I49 VanDerWaalsContact O-N 3.16Å; L46-Y50 HydrophobicContact CD2-CE2 4.48Å; L46-Y50 VanDerWaalsContact O-CD2 3.23Å; L46-Y50 WeakPolarHBondContact O-CD2 3.45Å; L46-Y50 PolarHBondContact O-N 2.97Å; L46-Y107 VanDerWaalsContact CD2-O 3.3Å; L46-Y107 WeakPolarHBondContact CD2-O 3.09Å; L46-V108 HydrophobicContact CD2-CG2 4.23Å |
| 47 | C | 90.8 | Very high | 80.8 | Confident | 70 Ų | 70 | 73.3 Ų | 73.3 | 47% | 0.473 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -54.7 | -44.5 | 174.7 | -76.1 | 0 | 0 | 0 | 0 | 111.5 | L43 I49 Y50 V51 | L43-C47 WeakPolarHBondContact O-CB 3.43Å; L43-C47 PolarHBondContact O-N 3.41Å; L43-C47 PolarHBondContact O-SG 3.22Å; C47-I49 PolarHBondContact O-N 3.01Å; C47-Y50 PolarHBondContact O-N 2.79Å; C47-V51 WeakPolarHBondContact O-CB 3.45Å; C47-V51 VanDerWaalsContact O-CG2 3.22Å; C47-V51 WeakPolarHBondContact O-CG2 3.4Å; C47-V51 PolarHBondContact O-N 3.46Å |
| 48 | T | 91.2 | Very high | 83.5 | Confident | 89 Ų | 89 | 69.7 Ų | 69.7 | 55% | 0.546 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 178.1 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | E44 I45 L46 T52 | E44-T48 WeakPolarHBondContact O-CB 3.28Å; E44-T48 PolarHBondContact O-N 2.87Å; E44-T48 PolarHBondContact O-OG1 3.42Å; I45-T48 WeakPolarHBondContact O-CB 3.35Å; I45-T48 PolarHBondContact O-N 3.39Å; L46-T48 VanDerWaalsContact C-N 3.26Å; L46-T48 PolarHBondContact O-N 2.91Å; T48-T52 WeakPolarHBondContact O-CB 3.44Å; T48-T52 PolarHBondContact O-N 2.62Å; T48-T52 PolarHBondContact O-OG1 3.38Å |
| 49 | I | 91.5 | Very high | 86.2 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.1 | -53.1 | 176.5 | -66.8 | 164.1 | 0 | 0 | 0 | 110.1 | I45 L46 C47 V51 T52 Y53 Y107 I312 | I45-I49 HydrophobicContact CG2-CD1 4Å; I45-I49 VanDerWaalsContact O-CG1 3.28Å; I45-I49 WeakPolarHBondContact O-CG1 3.5Å; I45-I49 PolarHBondContact O-N 2.96Å; L46-I49 PolarHBondContact O-N 3.35Å; L46-I49 VanDerWaalsContact O-N 3.16Å; C47-I49 PolarHBondContact O-N 3.01Å; I49-V51 PolarHBondContact O-N 3.14Å; I49-T52 WeakPolarHBondContact O-CB 3.41Å; I49-T52 PolarHBondContact O-N 3.08Å; I49-T52 VanDerWaalsContact O-N 3.14Å; I49-Y53 HydrophobicContact CG2-CD2 3.98Å; I49-Y53 HydrophobicContact CG2-CE2 3.95Å; I49-Y53 VanDerWaalsContact O-CD2 3.24Å; I49-Y53 WeakPolarHBondContact O-CD2 3.32Å; I49-Y53 PolarHBondContact O-N 3.29Å; I49-Y107 HydrophobicContact CD1-CD1 4.18Å; I49-Y107 HydrophobicContact CD1-CG 4.17Å; I49-Y107 HydrophobicContact CG2-CD2 3.64Å; I49-Y107 HydrophobicContact CG2-CE2 3.97Å; I49-Y107 HydrophobicContact CG2-CG 4.13Å; I49-I312 HydrophobicContact CD1-CD1 3.67Å; I49-I312 HydrophobicContact CD1-CG1 4.12Å; I49-I312 HydrophobicContact CD1-CG2 4.37Å; I49-I312 HydrophobicContact CG1-CD1 4.33Å; I49-I312 HydrophobicContact CG1-CG2 3.88Å |
| 50 | Y | 93.3 | Very high | 88.4 | Confident | 83 Ų | 83 | 61.5 Ų | 61.5 | 33% | 0.325 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | -177.1 | -80.5 | -69.2 | 0 | 0 | 0 | 112.8 | L46 C47 T52 Y53 A54 A104 V108 | L46-Y50 HydrophobicContact CD2-CE2 4.48Å; L46-Y50 VanDerWaalsContact O-CD2 3.23Å; L46-Y50 WeakPolarHBondContact O-CD2 3.45Å; L46-Y50 PolarHBondContact O-N 2.97Å; C47-Y50 PolarHBondContact O-N 2.79Å; Y50-T52 VanDerWaalsContact C-N 3.33Å; Y50-T52 PolarHBondContact O-N 3Å; Y50-Y53 PolarHBondContact O-N 2.91Å; Y50-A54 WeakPolarHBondContact O-CB 3.3Å; Y50-A54 PolarHBondContact O-N 3.35Å; Y50-A104 HydrophobicContact CD1-CB 4.48Å; Y50-A104 HydrophobicContact CE1-CB 3.99Å; Y50-A104 PolarHBondContact OH-O 3.41Å; Y50-V108 HydrophobicContact CE2-CG2 3.49Å; Y50-V108 VanDerWaalsContact CE2-CG2 3.49Å; Y50-V108 WeakPolarHBondContact OH-CB 3.43Å; Y50-V108 WeakPolarHBondContact OH-CG2 3.38Å |
| 51 | V | 94.9 | Very high | 90.4 | Very high | 92 Ų | 92 | 58.7 Ų | 58.7 | 56% | 0.558 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.2 | -44.4 | 173.6 | 170 | 0 | 0 | 0 | 0 | 110.4 | C47 I49 A54 V55 | C47-V51 WeakPolarHBondContact O-CB 3.45Å; C47-V51 VanDerWaalsContact O-CG2 3.22Å; C47-V51 WeakPolarHBondContact O-CG2 3.4Å; C47-V51 PolarHBondContact O-N 3.46Å; I49-V51 PolarHBondContact O-N 3.14Å; V51-A54 PolarHBondContact O-N 3.28Å; V51-V55 VanDerWaalsContact O-CG2 3.28Å; V51-V55 WeakPolarHBondContact O-CG2 3.27Å; V51-V55 PolarHBondContact O-N 2.96Å |
| 52 | T | 94.6 | Very high | 91.8 | Very high | 56 Ų | 56 | 62.9 Ų | 62.9 | 34% | 0.344 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.8 | -47.8 | 177.9 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | T48 I49 Y50 V55 I56 A316 | T48-T52 WeakPolarHBondContact O-CB 3.44Å; T48-T52 PolarHBondContact O-N 2.62Å; T48-T52 PolarHBondContact O-OG1 3.38Å; I49-T52 WeakPolarHBondContact O-CB 3.41Å; I49-T52 PolarHBondContact O-N 3.08Å; I49-T52 VanDerWaalsContact O-N 3.14Å; Y50-T52 VanDerWaalsContact C-N 3.33Å; Y50-T52 PolarHBondContact O-N 3Å; T52-V55 PolarHBondContact O-N 3.35Å; T52-I56 HydrophobicContact CG2-CD1 4Å; T52-I56 WeakPolarHBondContact O-CG1 3.45Å; T52-I56 PolarHBondContact O-N 3.41Å; T52-A316 HydrophobicContact CG2-CB 4.27Å |
| 53 | Y | 95.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 179.3 | -82.8 | -121.3 | 0 | 0 | 0 | 111.6 | I49 Y50 V55 I56 I57 V100 D103 A104 Y107 A316 F319 | I49-Y53 HydrophobicContact CG2-CD2 3.98Å; I49-Y53 HydrophobicContact CG2-CE2 3.95Å; I49-Y53 VanDerWaalsContact O-CD2 3.24Å; I49-Y53 WeakPolarHBondContact O-CD2 3.32Å; I49-Y53 PolarHBondContact O-N 3.29Å; Y50-Y53 PolarHBondContact O-N 2.91Å; Y53-V55 VanDerWaalsContact C-N 3.32Å; Y53-V55 PolarHBondContact O-N 3.45Å; Y53-I56 PolarHBondContact O-N 3.03Å; Y53-I57 WeakPolarHBondContact O-CB 3.43Å; Y53-I57 VanDerWaalsContact O-CG1 3.29Å; Y53-I57 WeakPolarHBondContact O-CG1 3.41Å; Y53-I57 PolarHBondContact O-N 3.47Å; Y53-V100 HydrophobicContact CD1-CG1 3.65Å; Y53-V100 HydrophobicContact CE1-CG1 4.19Å; Y53-V100 HydrophobicContact CG-CG1 4.48Å; Y53-D103 HydrophobicContact CE1-CB 4.16Å; Y53-D103 PolarHBondContact OH-OD2 3.41Å; Y53-A104 HydrophobicContact CD1-CB 3.68Å; Y53-A104 HydrophobicContact CE1-CB 4.21Å; Y53-A104 HydrophobicContact CG-CB 4.24Å; Y53-Y107 HydrophobicContact CE1-CE2 4.44Å; Y53-Y107 HydrophobicContact CE2-CE2 4.35Å; Y53-Y107 AromaticContact CZ-CE2 3.89Å; Y53-Y107 PolarHBondContact OH-OH 3.49Å; Y53-A316 HydrophobicContact CE2-CB 4.36Å; Y53-F319 HydrophobicContact CE1-CD2 4.05Å; Y53-F319 AromaticContact CE1-CE2 3.94Å; Y53-F319 HydrophobicContact CE1-CE2 3.94Å |
| 54 | A | 96.2 | Very high | 93.1 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 42% | 0.421 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y50 V51 S58 | Y50-A54 WeakPolarHBondContact O-CB 3.3Å; Y50-A54 PolarHBondContact O-N 3.35Å; V51-A54 PolarHBondContact O-N 3.28Å; A54-S58 WeakPolarHBondContact O-CB 3.37Å; A54-S58 PolarHBondContact O-N 3.06Å; A54-S58 PolarHBondContact O-OG 3.42Å |
| 55 | V | 95.8 | Very high | 93.4 | Very high | 80 Ų | 80 | 49 Ų | 49 | 49% | 0.485 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.7 | -46.8 | 173.9 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | V51 T52 Y53 I57 S58 V59 | V51-V55 VanDerWaalsContact O-CG2 3.28Å; V51-V55 WeakPolarHBondContact O-CG2 3.27Å; V51-V55 PolarHBondContact O-N 2.96Å; T52-V55 PolarHBondContact O-N 3.35Å; Y53-V55 VanDerWaalsContact C-N 3.32Å; Y53-V55 PolarHBondContact O-N 3.45Å; V55-I57 PolarHBondContact O-N 3.39Å; V55-S58 PolarHBondContact O-N 3.26Å; V55-V59 HydrophobicContact CG1-CG2 4.09Å; V55-V59 VanDerWaalsContact O-CB 3.3Å; V55-V59 WeakPolarHBondContact O-CB 3.24Å; V55-V59 VanDerWaalsContact O-CG2 3.28Å; V55-V59 WeakPolarHBondContact O-CG2 3.49Å; V55-V59 PolarHBondContact O-N 3.04Å |
| 56 | I | 96.1 | Very high | 93.6 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.7 | -50.6 | 177.7 | -70.4 | 167 | 0 | 0 | 0 | 110.7 | T52 Y53 G60 L96 A316 F319 C323 | T52-I56 HydrophobicContact CG2-CD1 4Å; T52-I56 WeakPolarHBondContact O-CG1 3.45Å; T52-I56 PolarHBondContact O-N 3.41Å; Y53-I56 PolarHBondContact O-N 3.03Å; I56-G60 WeakPolarHBondContact O-CA 3.37Å; I56-G60 PolarHBondContact O-N 3.11Å; I56-L96 HydrophobicContact CG2-CD2 3.83Å; I56-A316 HydrophobicContact CD1-CB 4.36Å; I56-F319 HydrophobicContact CD1-CB 4.46Å; I56-F319 HydrophobicContact CG2-CB 4.01Å; I56-C323 PolarHBondContact O-SG 3.12Å |
| 57 | I | 96.5 | Very high | 93.6 | Very high | 38 Ų | 38 | 44.7 Ų | 44.7 | 20% | 0.195 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -50.6 | 178.5 | -68.1 | 165.4 | 0 | 0 | 0 | 110 | Y53 V55 V59 G60 L61 V100 P101 | Y53-I57 WeakPolarHBondContact O-CB 3.43Å; Y53-I57 VanDerWaalsContact O-CG1 3.29Å; Y53-I57 WeakPolarHBondContact O-CG1 3.41Å; Y53-I57 PolarHBondContact O-N 3.47Å; V55-I57 PolarHBondContact O-N 3.39Å; I57-V59 PolarHBondContact O-N 2.91Å; I57-G60 PolarHBondContact O-N 3.02Å; I57-L61 HydrophobicContact CG2-CD1 3.56Å; I57-L61 HydrophobicContact CG2-CG 4.09Å; I57-L61 VanDerWaalsContact O-CB 3.23Å; I57-L61 WeakPolarHBondContact O-CB 3.33Å; I57-L61 WeakPolarHBondContact O-CG 3.47Å; I57-L61 PolarHBondContact O-N 3.49Å; I57-V100 HydrophobicContact CD1-CG1 3.99Å; I57-V100 HydrophobicContact CG1-CB 4.25Å; I57-V100 HydrophobicContact CG1-CG1 3.75Å; I57-P101 HydrophobicContact CD1-CG 3.98Å |
| 58 | S | 95.1 | Very high | 93.7 | Very high | 76 Ų | 76 | 42.3 Ų | 42.3 | 53% | 0.531 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.7 | -49 | -175.7 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | A54 V55 L62 | A54-S58 WeakPolarHBondContact O-CB 3.37Å; A54-S58 PolarHBondContact O-N 3.06Å; A54-S58 PolarHBondContact O-OG 3.42Å; V55-S58 PolarHBondContact O-N 3.26Å; S58-L62 WeakPolarHBondContact O-CB 3.36Å; S58-L62 PolarHBondContact O-N 3.04Å; S58-L62 VanDerWaalsContact O-N 3.12Å |
| 59 | V | 94 | Very high | 93.6 | Very high | 53 Ų | 53 | 43.3 Ų | 43.3 | 32% | 0.321 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.9 | -45.6 | -179.3 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | V55 I57 G63 C323 F327 | V55-V59 HydrophobicContact CG1-CG2 4.09Å; V55-V59 VanDerWaalsContact O-CB 3.3Å; V55-V59 WeakPolarHBondContact O-CB 3.24Å; V55-V59 VanDerWaalsContact O-CG2 3.28Å; V55-V59 WeakPolarHBondContact O-CG2 3.49Å; V55-V59 PolarHBondContact O-N 3.04Å; I57-V59 PolarHBondContact O-N 2.91Å; V59-G63 PolarHBondContact O-N 3.02Å; V59-C323 HydrophobicContact CG1-CB 4.09Å; V59-F327 HydrophobicContact CG1-CE2 3.57Å; V59-F327 HydrophobicContact CG1-CZ 3.74Å |
| 60 | G | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -48.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I56 I57 N64 L96 | I56-G60 WeakPolarHBondContact O-CA 3.37Å; I56-G60 PolarHBondContact O-N 3.11Å; I57-G60 PolarHBondContact O-N 3.02Å; G60-N64 VanDerWaalsContact O-CB 3.31Å; G60-N64 WeakPolarHBondContact O-CB 3.26Å; G60-N64 PolarHBondContact O-N 2.74Å; G60-N64 PolarHBondContact O-ND2 2.94Å; G60-L96 VanDerWaalsContact C-CD1 3.42Å |
| 61 | L | 95.3 | Very high | 93.1 | Very high | 45 Ų | 45 | 40.4 Ų | 40.4 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.4 | -48.8 | 178.8 | -69.2 | -178.9 | 0 | 0 | 0 | 111.1 | I57 G63 A65 L93 L96 L97 | I57-L61 HydrophobicContact CG2-CD1 3.56Å; I57-L61 HydrophobicContact CG2-CG 4.09Å; I57-L61 VanDerWaalsContact O-CB 3.23Å; I57-L61 WeakPolarHBondContact O-CB 3.33Å; I57-L61 WeakPolarHBondContact O-CG 3.47Å; I57-L61 PolarHBondContact O-N 3.49Å; L61-G63 PolarHBondContact O-N 3.43Å; L61-A65 WeakPolarHBondContact O-CB 3.43Å; L61-A65 PolarHBondContact O-N 3.33Å; L61-L93 HydrophobicContact CD2-CD2 3.59Å; L61-L96 HydrophobicContact CD2-CB 3.79Å; L61-L96 HydrophobicContact CD2-CD1 4.39Å; L61-L96 HydrophobicContact CG-CB 4.34Å; L61-L97 HydrophobicContact CD1-CD2 3.97Å; L61-L97 HydrophobicContact CD2-CD2 3.68Å; L61-L97 HydrophobicContact CD2-CG 3.77Å |
| 62 | L | 92.8 | Very high | 92.8 | Very high | 111 Ų | 111 | 42 Ų | 42 | 58% | 0.581 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.1 | -48.2 | -179.9 | -179.9 | 62.7 | 0 | 0 | 0 | 111.4 | S58 I66 | S58-L62 WeakPolarHBondContact O-CB 3.36Å; S58-L62 PolarHBondContact O-N 3.04Å; S58-L62 VanDerWaalsContact O-N 3.12Å; L62-I66 HydrophobicContact CD1-CD1 3.75Å; L62-I66 HydrophobicContact CD1-CG1 4.28Å; L62-I66 HydrophobicContact CG-CD1 3.88Å; L62-I66 WeakPolarHBondContact O-CB 3.39Å; L62-I66 WeakPolarHBondContact O-CD1 3.31Å; L62-I66 WeakPolarHBondContact O-CG1 3.4Å; L62-I66 PolarHBondContact O-N 2.88Å |
| 63 | G | 91.4 | Very high | 92.5 | Very high | 8 Ų | 8 | 46.5 Ų | 46.5 | 8% | 0.082 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -49.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V59 L61 I66 L67 | V59-G63 PolarHBondContact O-N 3.02Å; L61-G63 PolarHBondContact O-N 3.43Å; G63-I66 PolarHBondContact O-N 3.29Å; G63-L67 WeakPolarHBondContact O-CB 3.38Å; G63-L67 PolarHBondContact O-N 2.9Å |
| 64 | N | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.2 | -36.6 | -178.7 | -71 | -57.1 | 0 | 0 | 0 | 112.2 | G60 L67 I68 A89 L93 S322 | G60-N64 VanDerWaalsContact O-CB 3.31Å; G60-N64 WeakPolarHBondContact O-CB 3.26Å; G60-N64 PolarHBondContact O-N 2.74Å; G60-N64 PolarHBondContact O-ND2 2.94Å; N64-L67 WeakPolarHBondContact O-CB 3.35Å; N64-L67 PolarHBondContact O-N 3.33Å; N64-I68 WeakPolarHBondContact O-CG1 3.42Å; N64-I68 PolarHBondContact O-N 2.93Å; N64-A89 HydrophobicContact CB-CB 4.06Å; N64-L93 HydrophobicContact CB-CD2 3.81Å; N64-L93 HydrophobicContact CB-CG 3.9Å; N64-S322 PolarHBondContact ND2-O 2.98Å |
| 65 | A | 92.7 | Very high | 91.3 | Very high | 48 Ų | 48 | 54 Ų | 54 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L61 L67 K69 | L61-A65 WeakPolarHBondContact O-CB 3.43Å; L61-A65 PolarHBondContact O-N 3.33Å; A65-L67 VanDerWaalsContact C-N 3.34Å; A65-K69 VanDerWaalsContact O-CB 3.27Å; A65-K69 WeakPolarHBondContact O-CB 3.49Å; A65-K69 PolarHBondContact O-N 3.34Å |
| 66 | I | 90.1 | Very high | 90.5 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 174.9 | -69.2 | 166.2 | 0 | 0 | 0 | 110.5 | L62 G63 K69 V70 F340 V344 | L62-I66 HydrophobicContact CD1-CD1 3.75Å; L62-I66 HydrophobicContact CD1-CG1 4.28Å; L62-I66 HydrophobicContact CG-CD1 3.88Å; L62-I66 WeakPolarHBondContact O-CB 3.39Å; L62-I66 WeakPolarHBondContact O-CD1 3.31Å; L62-I66 WeakPolarHBondContact O-CG1 3.4Å; L62-I66 PolarHBondContact O-N 2.88Å; G63-I66 PolarHBondContact O-N 3.29Å; I66-K69 PolarHBondContact O-N 2.97Å; I66-V70 HydrophobicContact CG2-CG2 4.11Å; I66-V70 WeakPolarHBondContact O-CB 3.37Å; I66-V70 VanDerWaalsContact O-CG2 3.27Å; I66-V70 WeakPolarHBondContact O-CG2 3.24Å; I66-V70 PolarHBondContact O-N 3.31Å; I66-F340 HydrophobicContact CB-CD2 4.36Å; I66-F340 HydrophobicContact CB-CE2 4.15Å; I66-F340 HydrophobicContact CD1-CE2 3.85Å; I66-F340 HydrophobicContact CD1-CZ 4.19Å; I66-F340 HydrophobicContact CG2-CD2 3.5Å; I66-F340 HydrophobicContact CG2-CE2 3.77Å; I66-F340 HydrophobicContact CG2-CG 4.46Å; I66-V344 HydrophobicContact CD1-CG2 4.11Å |
| 67 | L | 89.7 | Confident | 89.7 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.2 | -51.9 | 178.7 | -173.5 | 166.5 | 0 | 0 | 0 | 111 | G63 N64 A65 K69 V70 F71 I85 A89 P326 L329 F336 | G63-L67 WeakPolarHBondContact O-CB 3.38Å; G63-L67 PolarHBondContact O-N 2.9Å; N64-L67 WeakPolarHBondContact O-CB 3.35Å; N64-L67 PolarHBondContact O-N 3.33Å; A65-L67 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.47Å; L67-V70 PolarHBondContact O-N 2.68Å; L67-F71 PolarHBondContact O-N 3.49Å; L67-I85 HydrophobicContact CD1-CG2 3.98Å; L67-I85 HydrophobicContact CD2-CG2 4.5Å; L67-A89 HydrophobicContact CD1-CB 4.25Å; L67-A89 HydrophobicContact CD2-CB 3.89Å; L67-P326 HydrophobicContact CD1-CG 4.33Å; L67-L329 HydrophobicContact CD1-CD1 3.79Å; L67-L329 HydrophobicContact CG-CD1 4.05Å; L67-F336 HydrophobicContact CB-CE2 4.39Å; L67-F336 HydrophobicContact CB-CZ 4.23Å; L67-F336 HydrophobicContact CG-CE2 4.19Å; L67-F336 HydrophobicContact CG-CZ 4.27Å |
| 68 | I | 91.6 | Very high | 89.1 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 177.5 | -66.8 | 171.3 | 0 | 0 | 0 | 110.8 | N64 V70 F71 F72 T86 A89 F90 L93 | N64-I68 WeakPolarHBondContact O-CG1 3.42Å; N64-I68 PolarHBondContact O-N 2.93Å; I68-V70 VanDerWaalsContact C-N 3.35Å; I68-V70 PolarHBondContact O-N 3.07Å; I68-F71 WeakPolarHBondContact O-CB 3.46Å; I68-F71 PolarHBondContact O-N 3.29Å; I68-F72 HydrophobicContact CG2-CD2 3.7Å; I68-F72 HydrophobicContact CG2-CE2 3.57Å; I68-F72 VanDerWaalsContact O-CD2 3.28Å; I68-F72 WeakPolarHBondContact O-CD2 3.41Å; I68-F72 PolarHBondContact O-N 3.01Å; I68-F72 VanDerWaalsContact O-N 3.1Å; I68-T86 HydrophobicContact CG1-CG2 4.25Å; I68-A89 HydrophobicContact CD1-CB 3.99Å; I68-A89 HydrophobicContact CG1-CB 3.79Å; I68-F90 HydrophobicContact CD1-CD1 4.01Å; I68-F90 HydrophobicContact CD1-CD2 4.48Å; I68-F90 HydrophobicContact CD1-CE1 4.03Å; I68-F90 HydrophobicContact CD1-CE2 4.5Å; I68-F90 HydrophobicContact CD1-CG 4.25Å; I68-F90 HydrophobicContact CD1-CZ 4.28Å; I68-F90 HydrophobicContact CG2-CZ 4.07Å; I68-L93 HydrophobicContact CD1-CD1 3.44Å; I68-L93 VanDerWaalsContact CD1-CD1 3.44Å; I68-L93 HydrophobicContact CD1-CG 4.38Å |
| 69 | K | 89.7 | Confident | 88.5 | Confident | 109 Ų | 109 | 55.5 Ų | 55.5 | 47% | 0.474 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 178.7 | -175.5 | -174.5 | -175.2 | -173.6 | 0 | 112.4 | A65 I66 L67 F71 K73 | A65-K69 VanDerWaalsContact O-CB 3.27Å; A65-K69 WeakPolarHBondContact O-CB 3.49Å; A65-K69 PolarHBondContact O-N 3.34Å; I66-K69 PolarHBondContact O-N 2.97Å; L67-K69 PolarHBondContact O-N 3.47Å; K69-F71 VanDerWaalsContact C-N 3.35Å; K69-K73 WeakPolarHBondContact O-CB 3.26Å; K69-K73 PolarHBondContact O-N 3.09Å; K69-K73 VanDerWaalsContact O-N 3.08Å |
| 70 | V | 86.7 | Confident | 88 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 178.4 | 167.7 | 0 | 0 | 0 | 0 | 110.5 | I66 L67 I68 K73 I74 F336 H339 Q343 | I66-V70 HydrophobicContact CG2-CG2 4.11Å; I66-V70 WeakPolarHBondContact O-CB 3.37Å; I66-V70 VanDerWaalsContact O-CG2 3.27Å; I66-V70 WeakPolarHBondContact O-CG2 3.24Å; I66-V70 PolarHBondContact O-N 3.31Å; L67-V70 PolarHBondContact O-N 2.68Å; I68-V70 VanDerWaalsContact C-N 3.35Å; I68-V70 PolarHBondContact O-N 3.07Å; V70-K73 PolarHBondContact O-N 3.49Å; V70-I74 HydrophobicContact CG1-CD1 3.94Å; V70-I74 WeakPolarHBondContact O-CB 3.44Å; V70-I74 WeakPolarHBondContact O-CG1 3.49Å; V70-I74 PolarHBondContact O-N 3.29Å; V70-I74 VanDerWaalsContact O-N 3.12Å; V70-F336 HydrophobicContact CB-CE2 4.46Å; V70-F336 HydrophobicContact CG1-CD2 4.21Å; V70-F336 HydrophobicContact CG1-CE2 4.29Å; V70-H339 HydrophobicContact CG1-CB 4.05Å; V70-H339 HydrophobicContact CG2-CB 4.35Å; V70-Q343 HydrophobicContact CG2-CG 4.43Å |
| 71 | F | 87.9 | Confident | 87.4 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60 | -48.9 | 178.1 | 176.2 | -93.8 | 0 | 0 | 0 | 112.7 | L67 I68 K69 Q78 N82 I83 T86 | L67-F71 PolarHBondContact O-N 3.49Å; I68-F71 WeakPolarHBondContact O-CB 3.46Å; I68-F71 PolarHBondContact O-N 3.29Å; K69-F71 VanDerWaalsContact C-N 3.35Å; F71-Q78 HydrophobicContact CD2-CG 4.44Å; F71-Q78 HydrophobicContact CE1-CG 4.45Å; F71-Q78 HydrophobicContact CE2-CB 4.27Å; F71-Q78 HydrophobicContact CE2-CG 4.04Å; F71-Q78 HydrophobicContact CZ-CB 4.38Å; F71-Q78 HydrophobicContact CZ-CG 4.02Å; F71-Q78 PolarHBondContact O-NE2 3.43Å; F71-N82 HydrophobicContact CD2-CB 4.21Å; F71-N82 HydrophobicContact CE2-CB 4.31Å; F71-I83 HydrophobicContact CE2-CG1 3.84Å; F71-I83 HydrophobicContact CZ-CG1 3.7Å; F71-T86 HydrophobicContact CB-CG2 4.36Å; F71-T86 HydrophobicContact CD1-CG2 3.86Å; F71-T86 WeakPolarHBondContact CD2-OG1 3.18Å; F71-T86 HydrophobicContact CE1-CG2 4.34Å; F71-T86 HydrophobicContact CG-CG2 4.04Å; F71-T86 WeakPolarHBondContact CG-OG1 3.22Å |
| 72 | F | 88.7 | Confident | 86.9 | Confident | 126 Ų | 126 | 54 Ų | 54 | 55% | 0.553 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -71.9 | -32.2 | -180 | -74.4 | -66.7 | 0 | 0 | 0 | 113.3 | I68 F90 | I68-F72 HydrophobicContact CG2-CD2 3.7Å; I68-F72 HydrophobicContact CG2-CE2 3.57Å; I68-F72 VanDerWaalsContact O-CD2 3.28Å; I68-F72 WeakPolarHBondContact O-CD2 3.41Å; I68-F72 PolarHBondContact O-N 3.01Å; I68-F72 VanDerWaalsContact O-N 3.1Å; F72-F90 HydrophobicContact CE2-CE2 4.48Å; F72-F90 HydrophobicContact CE2-CZ 4.08Å; F72-F90 HydrophobicContact CZ-CZ 4.36Å |
| 73 | K | 87.9 | Confident | 86.7 | Confident | 151 Ų | 151 | 49.4 Ų | 49.4 | 66% | 0.657 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -76.8 | -27.3 | -177.7 | -173.5 | 166.5 | -177 | 165.3 | 0 | 113.5 | K69 V70 | K69-K73 WeakPolarHBondContact O-CB 3.26Å; K69-K73 PolarHBondContact O-N 3.09Å; K69-K73 VanDerWaalsContact O-N 3.08Å; V70-K73 PolarHBondContact O-N 3.49Å |
| 74 | I | 84.3 | Confident | 86.7 | Confident | 29 Ų | 29 | 49.1 Ų | 49.1 | 15% | 0.149 | 25% | 0.249 | C | C | . | . | trans | -119.1 | 100.6 | -167.8 | -52 | -174.7 | 0 | 0 | 0 | 110.1 | V70 S76 M77 H339 | V70-I74 HydrophobicContact CG1-CD1 3.94Å; V70-I74 WeakPolarHBondContact O-CB 3.44Å; V70-I74 WeakPolarHBondContact O-CG1 3.49Å; V70-I74 PolarHBondContact O-N 3.29Å; V70-I74 VanDerWaalsContact O-N 3.12Å; I74-S76 VanDerWaalsContact C-N 3.26Å; I74-S76 VanDerWaalsContact CG2-OG 3.27Å; I74-S76 WeakPolarHBondContact CG2-OG 3.41Å; I74-S76 PolarHBondContact O-N 2.88Å; I74-M77 HydrophobicContact CB-CB 4.19Å; I74-M77 HydrophobicContact CB-CG 4.03Å; I74-M77 HydrophobicContact CG2-CB 4.21Å; I74-M77 HydrophobicContact CG2-CG 3.73Å; I74-M77 WeakPolarHBondContact O-CB 3.44Å; I74-M77 PolarHBondContact O-N 3.08Å; I74-H339 HydrophobicContact CD1-CB 3.85Å; I74-H339 WeakPolarHBondContact CD1-CD2 3.4Å; I74-H339 VanDerWaalsContact CD1-CE1 3.49Å; I74-H339 WeakPolarHBondContact CD1-CE1 3.42Å; I74-H339 VanDerWaalsContact CD1-ND1 3.29Å; I74-H339 WeakPolarHBondContact CD1-ND1 3.27Å | ||
| 75 | K | 82.6 | Confident | 86.4 | Confident | 182 Ų | 182 | 49.4 Ų | 49.4 | 79% | 0.791 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -55.1 | -38.6 | -179.7 | -68.3 | -170.8 | 177.6 | -176.3 | 0 | 113 | M77 Q78 | K75-M77 PolarHBondContact O-N 2.86Å; K75-M77 VanDerWaalsContact O-N 3.16Å; K75-Q78 WeakPolarHBondContact O-CB 3.45Å; K75-Q78 PolarHBondContact O-N 3.31Å |
| 76 | S | 78.8 | Confident | 86.3 | Confident | 93 Ų | 93 | 47.4 Ų | 47.4 | 65% | 0.65 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -66.1 | -15.6 | 178.5 | 59.4 | 0 | 0 | 0 | 0 | 114.2 | I74 | I74-S76 VanDerWaalsContact C-N 3.26Å; I74-S76 VanDerWaalsContact CG2-OG 3.27Å; I74-S76 WeakPolarHBondContact CG2-OG 3.41Å; I74-S76 PolarHBondContact O-N 2.88Å |
| 77 | M | 78.9 | Confident | 86.4 | Confident | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.059 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -90.7 | -3.4 | 175.6 | -70.5 | -69.9 | -73 | 0 | 0 | 112.8 | I74 K75 T79 N82 S335 F336 | I74-M77 HydrophobicContact CB-CB 4.19Å; I74-M77 HydrophobicContact CB-CG 4.03Å; I74-M77 HydrophobicContact CG2-CB 4.21Å; I74-M77 HydrophobicContact CG2-CG 3.73Å; I74-M77 WeakPolarHBondContact O-CB 3.44Å; I74-M77 PolarHBondContact O-N 3.08Å; K75-M77 PolarHBondContact O-N 2.86Å; K75-M77 VanDerWaalsContact O-N 3.16Å; M77-T79 PolarHBondContact O-N 3.01Å; M77-N82 WeakPolarHBondContact O-CB 3.4Å; M77-N82 PolarHBondContact O-ND2 3.28Å; M77-S335 PolarHBondContact SD-OG 2.94Å; M77-F336 HydrophobicContact CE-CB 3.83Å; M77-F336 HydrophobicContact CE-CD2 3.81Å; M77-F336 HydrophobicContact CE-CG 4.32Å |
| 78 | Q | 83.8 | Confident | 86.5 | Confident | 67 Ų | 67 | 46.9 Ų | 46.9 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | trans | -82.7 | 61.2 | -179.4 | -62.7 | 179.3 | -3.8 | 0 | 0 | 111.3 | F71 K75 L160 | F71-Q78 HydrophobicContact CD2-CG 4.44Å; F71-Q78 HydrophobicContact CE1-CG 4.45Å; F71-Q78 HydrophobicContact CE2-CB 4.27Å; F71-Q78 HydrophobicContact CE2-CG 4.04Å; F71-Q78 HydrophobicContact CZ-CB 4.38Å; F71-Q78 HydrophobicContact CZ-CG 4.02Å; F71-Q78 PolarHBondContact O-NE2 3.43Å; K75-Q78 WeakPolarHBondContact O-CB 3.45Å; K75-Q78 PolarHBondContact O-N 3.31Å; Q78-L160 WeakPolarHBondContact O-CD2 3.07Å | ||
| 79 | T | 82.7 | Confident | 86.6 | Confident | 61 Ų | 61 | 45.9 Ų | 45.9 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | trans | -97.9 | 159.8 | 177.2 | 66 | 0 | 0 | 0 | 0 | 110.7 | M77 N82 I83 | M77-T79 PolarHBondContact O-N 3.01Å; T79-N82 PolarHBondContact O-N 3.31Å; T79-N82 VanDerWaalsContact OG1-CG 3.25Å; T79-N82 PolarHBondContact OG1-ND2 2.94Å; T79-N82 VanDerWaalsContact OG1-ND2 3.16Å; T79-I83 WeakPolarHBondContact O-CG1 3.22Å; T79-I83 PolarHBondContact O-N 3.32Å | ||
| 80 | V | 83.4 | Confident | 86.8 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -50 | -49.9 | 179.6 | 173 | 0 | 0 | 0 | 0 | 113 | N82 I83 F84 T163 | V80-N82 VanDerWaalsContact C-N 3.32Å; V80-N82 PolarHBondContact O-N 3.15Å; V80-I83 PolarHBondContact O-N 3.37Å; V80-F84 HydrophobicContact CG1-CD2 4.27Å; V80-F84 HydrophobicContact CG1-CE2 3.9Å; V80-F84 VanDerWaalsContact O-CD2 3.3Å; V80-F84 WeakPolarHBondContact O-CD2 3.42Å; V80-F84 PolarHBondContact O-N 3.23Å; V80-T163 HydrophobicContact CB-CG2 4.28Å; V80-T163 HydrophobicContact CG1-CG2 3.78Å; V80-T163 HydrophobicContact CG2-CG2 4.39Å; V80-T163 WeakPolarHBondContact CG2-OG1 3.45Å |
| 81 | P | 81.4 | Confident | 87.2 | Confident | 15 Ų | 15 | 45 Ų | 45 | 10% | 0.097 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -37.9 | 176.6 | -24.6 | 36.9 | 0 | 0 | 0 | 113.4 | I83 F84 I85 L140 V268 | P81-I83 VanDerWaalsContact C-N 3.34Å; P81-I83 PolarHBondContact O-N 2.88Å; P81-F84 PolarHBondContact O-N 2.92Å; P81-I85 VanDerWaalsContact O-CG1 3.26Å; P81-I85 WeakPolarHBondContact O-CG1 3.44Å; P81-I85 PolarHBondContact O-N 3.22Å; P81-L140 HydrophobicContact CB-CD1 3.98Å; P81-V268 HydrophobicContact CB-CG1 4.26Å; P81-V268 HydrophobicContact CG-CG1 4.23Å |
| 82 | N | 85.8 | Confident | 87.6 | Confident | 25 Ų | 25 | 43.9 Ų | 43.9 | 13% | 0.134 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73.9 | -26 | -177.6 | -66.7 | -11.1 | 0 | 0 | 0 | 112.2 | F71 M77 T79 V80 T86 | F71-N82 HydrophobicContact CD2-CB 4.21Å; F71-N82 HydrophobicContact CE2-CB 4.31Å; M77-N82 WeakPolarHBondContact O-CB 3.4Å; M77-N82 PolarHBondContact O-ND2 3.28Å; T79-N82 PolarHBondContact O-N 3.31Å; T79-N82 VanDerWaalsContact OG1-CG 3.25Å; T79-N82 PolarHBondContact OG1-ND2 2.94Å; T79-N82 VanDerWaalsContact OG1-ND2 3.16Å; V80-N82 VanDerWaalsContact C-N 3.32Å; V80-N82 PolarHBondContact O-N 3.15Å; N82-T86 VanDerWaalsContact O-CB 3.28Å; N82-T86 WeakPolarHBondContact O-CB 3.39Å; N82-T86 PolarHBondContact O-N 3.29Å; N82-T86 PolarHBondContact O-OG1 2.88Å |
| 83 | I | 89.3 | Confident | 87.9 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -49.5 | 170.1 | -67.7 | 164.4 | 0 | 0 | 0 | 109.7 | F71 T79 V80 P81 I85 T86 S87 L160 T163 | F71-I83 HydrophobicContact CE2-CG1 3.84Å; F71-I83 HydrophobicContact CZ-CG1 3.7Å; T79-I83 WeakPolarHBondContact O-CG1 3.22Å; T79-I83 PolarHBondContact O-N 3.32Å; V80-I83 PolarHBondContact O-N 3.37Å; P81-I83 VanDerWaalsContact C-N 3.34Å; P81-I83 PolarHBondContact O-N 2.88Å; I83-I85 PolarHBondContact O-N 3.16Å; I83-T86 WeakPolarHBondContact O-CB 3.28Å; I83-T86 PolarHBondContact O-N 3.41Å; I83-S87 PolarHBondContact O-N 2.95Å; I83-L160 HydrophobicContact CD1-CD2 3.87Å; I83-T163 HydrophobicContact CB-CG2 4.01Å; I83-T163 HydrophobicContact CD1-CG2 3.84Å; I83-T163 HydrophobicContact CG2-CG2 3.95Å |
| 84 | F | 90.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | 177.8 | -75.6 | -58.5 | 0 | 0 | 0 | 112.3 | V80 P81 T86 S87 L88 T136 V139 L140 T163 K166 A167 | V80-F84 HydrophobicContact CG1-CD2 4.27Å; V80-F84 HydrophobicContact CG1-CE2 3.9Å; V80-F84 VanDerWaalsContact O-CD2 3.3Å; V80-F84 WeakPolarHBondContact O-CD2 3.42Å; V80-F84 PolarHBondContact O-N 3.23Å; P81-F84 PolarHBondContact O-N 2.92Å; F84-T86 VanDerWaalsContact C-N 3.28Å; F84-T86 PolarHBondContact O-N 2.88Å; F84-S87 WeakPolarHBondContact O-CA 3.26Å; F84-S87 VanDerWaalsContact O-CB 3.26Å; F84-S87 WeakPolarHBondContact O-CB 3.36Å; F84-S87 PolarHBondContact O-N 3.4Å; F84-S87 VanDerWaalsContact O-N 3.1Å; F84-L88 PolarHBondContact O-N 3.37Å; F84-T136 HydrophobicContact CB-CG2 3.62Å; F84-T136 HydrophobicContact CD1-CG2 3.88Å; F84-T136 HydrophobicContact CG-CG2 4.12Å; F84-V139 HydrophobicContact CE1-CB 4.39Å; F84-V139 HydrophobicContact CE1-CG1 3.67Å; F84-V139 HydrophobicContact CE2-CG1 3.95Å; F84-V139 HydrophobicContact CZ-CB 4.46Å; F84-V139 HydrophobicContact CZ-CG1 3.34Å; F84-L140 HydrophobicContact CB-CD1 4.41Å; F84-L140 HydrophobicContact CD2-CD1 4.14Å; F84-T163 HydrophobicContact CD2-CG2 4.28Å; F84-T163 HydrophobicContact CE2-CG2 3.73Å; F84-T163 HydrophobicContact CZ-CG2 3.92Å; F84-K166 HydrophobicContact CE1-CB 4.28Å; F84-K166 HydrophobicContact CZ-CB 4Å; F84-K166 HydrophobicContact CZ-CD 4.37Å; F84-A167 HydrophobicContact CD1-CB 4.49Å; F84-A167 HydrophobicContact CE1-CB 4.31Å |
| 85 | I | 88.9 | Confident | 88.9 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68 | -31.3 | 177.5 | -60.4 | 165.4 | 0 | 0 | 0 | 111.7 | L67 P81 I83 L88 A89 L140 L329 | L67-I85 HydrophobicContact CD1-CG2 3.98Å; L67-I85 HydrophobicContact CD2-CG2 4.5Å; P81-I85 VanDerWaalsContact O-CG1 3.26Å; P81-I85 WeakPolarHBondContact O-CG1 3.44Å; P81-I85 PolarHBondContact O-N 3.22Å; I83-I85 PolarHBondContact O-N 3.16Å; I85-L88 WeakPolarHBondContact O-CB 3.41Å; I85-L88 PolarHBondContact O-N 3.22Å; I85-A89 PolarHBondContact O-N 3Å; I85-A89 VanDerWaalsContact O-N 3.15Å; I85-L140 HydrophobicContact CG1-CD2 4.35Å; I85-L329 HydrophobicContact CB-CD1 4.25Å; I85-L329 HydrophobicContact CD1-CD1 4.27Å; I85-L329 HydrophobicContact CD1-CD2 3.56Å; I85-L329 HydrophobicContact CD1-CG 4.11Å; I85-L329 HydrophobicContact CG2-CD1 3.33Å; I85-L329 HydrophobicContact CG2-CG 3.94Å |
| 86 | T | 90.1 | Very high | 89.6 | Confident | 7 Ų | 7 | 25.1 Ų | 25.1 | 4% | 0.043 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.2 | -37.8 | 170.5 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | I68 F71 N82 I83 F84 L88 A89 F90 | I68-T86 HydrophobicContact CG1-CG2 4.25Å; F71-T86 HydrophobicContact CB-CG2 4.36Å; F71-T86 HydrophobicContact CD1-CG2 3.86Å; F71-T86 WeakPolarHBondContact CD2-OG1 3.18Å; F71-T86 HydrophobicContact CE1-CG2 4.34Å; F71-T86 HydrophobicContact CG-CG2 4.04Å; F71-T86 WeakPolarHBondContact CG-OG1 3.22Å; N82-T86 VanDerWaalsContact O-CB 3.28Å; N82-T86 WeakPolarHBondContact O-CB 3.39Å; N82-T86 PolarHBondContact O-N 3.29Å; N82-T86 PolarHBondContact O-OG1 2.88Å; I83-T86 WeakPolarHBondContact O-CB 3.28Å; I83-T86 PolarHBondContact O-N 3.41Å; F84-T86 VanDerWaalsContact C-N 3.28Å; F84-T86 PolarHBondContact O-N 2.88Å; T86-L88 VanDerWaalsContact C-N 3.34Å; T86-L88 PolarHBondContact O-N 2.9Å; T86-A89 WeakPolarHBondContact O-CB 3.22Å; T86-A89 PolarHBondContact O-N 3.28Å; T86-F90 HydrophobicContact CG2-CD2 4.22Å; T86-F90 HydrophobicContact CG2-CE2 3.85Å; T86-F90 VanDerWaalsContact O-CD2 3.27Å; T86-F90 WeakPolarHBondContact O-CD2 3.36Å; T86-F90 PolarHBondContact O-N 3.49Å |
| 87 | S | 91.9 | Very high | 90.4 | Very high | 9 Ų | 9 | 26 Ų | 26 | 6% | 0.063 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61 | -40.9 | 173.2 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | I83 F84 F90 G91 W171 | I83-S87 PolarHBondContact O-N 2.95Å; F84-S87 WeakPolarHBondContact O-CA 3.26Å; F84-S87 VanDerWaalsContact O-CB 3.26Å; F84-S87 WeakPolarHBondContact O-CB 3.36Å; F84-S87 PolarHBondContact O-N 3.4Å; F84-S87 VanDerWaalsContact O-N 3.1Å; S87-F90 PolarHBondContact O-N 3.34Å; S87-G91 PolarHBondContact O-N 2.84Å; S87-W171 PolarHBondContact OG-NE1 3.2Å |
| 88 | L | 92 | Very high | 91.2 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.4 | -48 | 171.7 | -66.5 | 176.4 | 0 | 0 | 0 | 111.3 | F84 I85 T86 F90 G91 D92 S133 T136 L137 | F84-L88 PolarHBondContact O-N 3.37Å; I85-L88 WeakPolarHBondContact O-CB 3.41Å; I85-L88 PolarHBondContact O-N 3.22Å; T86-L88 VanDerWaalsContact C-N 3.34Å; T86-L88 PolarHBondContact O-N 2.9Å; L88-F90 VanDerWaalsContact C-N 3.26Å; L88-F90 PolarHBondContact O-N 3.16Å; L88-G91 WeakPolarHBondContact O-CA 3.19Å; L88-G91 PolarHBondContact O-N 2.88Å; L88-D92 PolarHBondContact O-N 3.44Å; L88-S133 VanDerWaalsContact CD2-CA 3.45Å; L88-T136 HydrophobicContact CD1-CG2 4.31Å; L88-T136 HydrophobicContact CD2-CG2 3.83Å; L88-T136 HydrophobicContact CG-CG2 3.81Å; L88-L137 HydrophobicContact CD1-CD2 4.47Å |
| 89 | A | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.1 | -33.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N64 L67 I68 I85 T86 L93 | N64-A89 HydrophobicContact CB-CB 4.06Å; L67-A89 HydrophobicContact CD1-CB 4.25Å; L67-A89 HydrophobicContact CD2-CB 3.89Å; I68-A89 HydrophobicContact CD1-CB 3.99Å; I68-A89 HydrophobicContact CG1-CB 3.79Å; I85-A89 PolarHBondContact O-N 3Å; I85-A89 VanDerWaalsContact O-N 3.15Å; T86-A89 WeakPolarHBondContact O-CB 3.22Å; T86-A89 PolarHBondContact O-N 3.28Å; A89-L93 WeakPolarHBondContact O-CB 3.44Å; A89-L93 VanDerWaalsContact O-CG 3.3Å; A89-L93 WeakPolarHBondContact O-CG 3.4Å; A89-L93 PolarHBondContact O-N 2.9Å |
| 90 | F | 94.4 | Very high | 92.4 | Very high | 93 Ų | 93 | 21.4 Ų | 21.4 | 41% | 0.408 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -66.2 | -42.1 | 172.8 | -79.8 | -68.9 | 0 | 0 | 0 | 112.5 | I68 F72 T86 S87 L88 L94 W171 | I68-F90 HydrophobicContact CD1-CD1 4.01Å; I68-F90 HydrophobicContact CD1-CD2 4.48Å; I68-F90 HydrophobicContact CD1-CE1 4.03Å; I68-F90 HydrophobicContact CD1-CE2 4.5Å; I68-F90 HydrophobicContact CD1-CG 4.25Å; I68-F90 HydrophobicContact CD1-CZ 4.28Å; I68-F90 HydrophobicContact CG2-CZ 4.07Å; F72-F90 HydrophobicContact CE2-CE2 4.48Å; F72-F90 HydrophobicContact CE2-CZ 4.08Å; F72-F90 HydrophobicContact CZ-CZ 4.36Å; T86-F90 HydrophobicContact CG2-CD2 4.22Å; T86-F90 HydrophobicContact CG2-CE2 3.85Å; T86-F90 VanDerWaalsContact O-CD2 3.27Å; T86-F90 WeakPolarHBondContact O-CD2 3.36Å; T86-F90 PolarHBondContact O-N 3.49Å; S87-F90 PolarHBondContact O-N 3.34Å; L88-F90 VanDerWaalsContact C-N 3.26Å; L88-F90 PolarHBondContact O-N 3.16Å; F90-L94 PolarHBondContact O-N 3.3Å; F90-L94 VanDerWaalsContact O-N 3.09Å; F90-W171 HydrophobicContact CB-CH2 4.4Å; F90-W171 HydrophobicContact CB-CZ2 3.89Å |
| 91 | G | 95 | Very high | 92.9 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | S87 L88 L93 L94 L95 S129 | S87-G91 PolarHBondContact O-N 2.84Å; L88-G91 WeakPolarHBondContact O-CA 3.19Å; L88-G91 PolarHBondContact O-N 2.88Å; G91-L93 PolarHBondContact O-N 3.21Å; G91-L94 WeakPolarHBondContact O-CB 3.49Å; G91-L94 PolarHBondContact O-N 2.9Å; G91-L95 PolarHBondContact O-N 3.02Å; G91-S129 PolarHBondContact O-OG 3.36Å |
| 92 | D | 95.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60 | -44.7 | 177.1 | -69.1 | -28.8 | 0 | 0 | 0 | 112.1 | L88 L94 L95 L96 N325 | L88-D92 PolarHBondContact O-N 3.44Å; D92-L94 VanDerWaalsContact C-N 3.33Å; D92-L94 PolarHBondContact O-N 3.3Å; D92-L95 PolarHBondContact O-N 3.44Å; D92-L96 WeakPolarHBondContact O-CB 3.35Å; D92-L96 WeakPolarHBondContact O-CD1 3.08Å; D92-L96 WeakPolarHBondContact O-CG 3.49Å; D92-L96 PolarHBondContact O-N 3.47Å; D92-N325 PolarHBondContact OD2-ND2 3.45Å |
| 93 | L | 96.1 | Very high | 93.9 | Very high | 31 Ų | 31 | 21.5 Ų | 21.5 | 16% | 0.162 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 175.8 | -76.1 | -176.4 | 0 | 0 | 0 | 111.7 | L61 N64 I68 A89 G91 L96 L97 | L61-L93 HydrophobicContact CD2-CD2 3.59Å; N64-L93 HydrophobicContact CB-CD2 3.81Å; N64-L93 HydrophobicContact CB-CG 3.9Å; I68-L93 HydrophobicContact CD1-CD1 3.44Å; I68-L93 VanDerWaalsContact CD1-CD1 3.44Å; I68-L93 HydrophobicContact CD1-CG 4.38Å; A89-L93 WeakPolarHBondContact O-CB 3.44Å; A89-L93 VanDerWaalsContact O-CG 3.3Å; A89-L93 WeakPolarHBondContact O-CG 3.4Å; A89-L93 PolarHBondContact O-N 2.9Å; G91-L93 PolarHBondContact O-N 3.21Å; L93-L96 PolarHBondContact O-N 3.24Å; L93-L97 VanDerWaalsContact O-CB 3.32Å; L93-L97 WeakPolarHBondContact O-CB 3.19Å; L93-L97 WeakPolarHBondContact O-CG 3.25Å; L93-L97 PolarHBondContact O-N 3.03Å |
| 94 | L | 95.9 | Very high | 94 | Very high | 62 Ų | 62 | 21.1 Ų | 21.1 | 33% | 0.325 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -60.4 | -46.6 | 177.1 | -179.5 | 63.1 | 0 | 0 | 0 | 110.7 | F90 G91 D92 T98 I125 | F90-L94 PolarHBondContact O-N 3.3Å; F90-L94 VanDerWaalsContact O-N 3.09Å; G91-L94 WeakPolarHBondContact O-CB 3.49Å; G91-L94 PolarHBondContact O-N 2.9Å; D92-L94 VanDerWaalsContact C-N 3.33Å; D92-L94 PolarHBondContact O-N 3.3Å; L94-T98 HydrophobicContact CD1-CG2 4.25Å; L94-T98 WeakPolarHBondContact O-CB 3.31Å; L94-T98 PolarHBondContact O-N 3.35Å; L94-T98 PolarHBondContact O-OG1 3.11Å; L94-I125 HydrophobicContact CD1-CG2 4.33Å; L94-I125 HydrophobicContact CD2-CG2 3.84Å; L94-I125 HydrophobicContact CG-CG2 3.64Å |
| 95 | L | 96.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 177.5 | -173.5 | 74.2 | 0 | 0 | 0 | 112.3 | G91 D92 T98 C99 V100 Q126 F319 | G91-L95 PolarHBondContact O-N 3.02Å; D92-L95 PolarHBondContact O-N 3.44Å; L95-T98 PolarHBondContact O-N 3.37Å; L95-C99 HydrophobicContact CD1-CB 3.62Å; L95-C99 HydrophobicContact CG-CB 4.34Å; L95-C99 PolarHBondContact O-N 2.98Å; L95-V100 HydrophobicContact CG-CG2 4.48Å; L95-V100 PolarHBondContact O-N 3.26Å; L95-V100 VanDerWaalsContact O-N 3.14Å; L95-Q126 HydrophobicContact CD1-CB 4.23Å; L95-Q126 HydrophobicContact CD1-CG 4.13Å; L95-F319 HydrophobicContact CD1-CE1 4.45Å; L95-F319 HydrophobicContact CD2-CD1 4.13Å; L95-F319 HydrophobicContact CG-CD1 4.48Å |
| 96 | L | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.6 | -31.4 | -177.5 | -70.2 | 165.8 | 0 | 0 | 0 | 113.3 | I56 G60 L61 D92 L93 V100 P101 | I56-L96 HydrophobicContact CG2-CD2 3.83Å; G60-L96 VanDerWaalsContact C-CD1 3.42Å; L61-L96 HydrophobicContact CD2-CB 3.79Å; L61-L96 HydrophobicContact CD2-CD1 4.39Å; L61-L96 HydrophobicContact CG-CB 4.34Å; D92-L96 WeakPolarHBondContact O-CB 3.35Å; D92-L96 WeakPolarHBondContact O-CD1 3.08Å; D92-L96 WeakPolarHBondContact O-CG 3.49Å; D92-L96 PolarHBondContact O-N 3.47Å; L93-L96 PolarHBondContact O-N 3.24Å; L96-V100 HydrophobicContact CD2-CG2 4.15Å; L96-P101 VanDerWaalsContact O-CD 3.26Å; L96-P101 WeakPolarHBondContact O-CD 3.2Å |
| 97 | L | 96.6 | Very high | 93.8 | Very high | 111 Ų | 111 | 27.6 Ų | 27.6 | 58% | 0.581 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -81.4 | -24.4 | 178.3 | -70.9 | 172.2 | 0 | 0 | 0 | 113.1 | L61 L93 | L61-L97 HydrophobicContact CD1-CD2 3.97Å; L61-L97 HydrophobicContact CD2-CD2 3.68Å; L61-L97 HydrophobicContact CD2-CG 3.77Å; L93-L97 VanDerWaalsContact O-CB 3.32Å; L93-L97 WeakPolarHBondContact O-CB 3.19Å; L93-L97 WeakPolarHBondContact O-CG 3.25Å; L93-L97 PolarHBondContact O-N 3.03Å |
| 98 | T | 95.8 | Very high | 93.6 | Very high | 39 Ų | 39 | 30.5 Ų | 30.5 | 24% | 0.239 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -66.9 | -171.4 | 61.6 | 0 | 0 | 0 | 0 | 112.3 | L94 L95 P101 V102 | L94-T98 HydrophobicContact CD1-CG2 4.25Å; L94-T98 WeakPolarHBondContact O-CB 3.31Å; L94-T98 PolarHBondContact O-N 3.35Å; L94-T98 PolarHBondContact O-OG1 3.11Å; L95-T98 PolarHBondContact O-N 3.37Å; T98-P101 WeakPolarHBondContact O-CD 3.47Å; T98-V102 WeakPolarHBondContact O-CG2 3.18Å; T98-V102 PolarHBondContact O-N 2.89Å |
| 99 | C | 95.7 | Very high | 93.2 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.034 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.7 | -42.4 | -171.6 | -59.2 | 0 | 0 | 0 | 0 | 112.9 | L95 V102 D103 L122 | L95-C99 HydrophobicContact CD1-CB 3.62Å; L95-C99 HydrophobicContact CG-CB 4.34Å; L95-C99 PolarHBondContact O-N 2.98Å; C99-V102 PolarHBondContact O-N 3.46Å; C99-D103 VanDerWaalsContact O-CB 3.26Å; C99-D103 WeakPolarHBondContact O-CB 3.34Å; C99-D103 PolarHBondContact O-N 2.92Å; C99-L122 PolarHBondContact SG-O 3.01Å; C99-L122 VanDerWaalsContact SG-O 3.42Å |
| 100 | V | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.6 | -46.4 | -174.2 | -176.5 | 0 | 0 | 0 | 0 | 112.9 | Y53 I57 L95 L96 D103 A104 F319 | Y53-V100 HydrophobicContact CD1-CG1 3.65Å; Y53-V100 HydrophobicContact CE1-CG1 4.19Å; Y53-V100 HydrophobicContact CG-CG1 4.48Å; I57-V100 HydrophobicContact CD1-CG1 3.99Å; I57-V100 HydrophobicContact CG1-CB 4.25Å; I57-V100 HydrophobicContact CG1-CG1 3.75Å; L95-V100 HydrophobicContact CG-CG2 4.48Å; L95-V100 PolarHBondContact O-N 3.26Å; L95-V100 VanDerWaalsContact O-N 3.14Å; L96-V100 HydrophobicContact CD2-CG2 4.15Å; V100-D103 PolarHBondContact O-N 2.89Å; V100-A104 PolarHBondContact O-N 2.92Å; V100-A104 VanDerWaalsContact O-N 3.11Å; V100-F319 HydrophobicContact CG1-CD2 4.13Å; V100-F319 HydrophobicContact CG1-CG 4.48Å; V100-F319 HydrophobicContact CG2-CB 4.03Å; V100-F319 HydrophobicContact CG2-CD1 3.68Å; V100-F319 HydrophobicContact CG2-CD2 3.94Å; V100-F319 HydrophobicContact CG2-CE1 4.05Å; V100-F319 HydrophobicContact CG2-CE2 4.29Å; V100-F319 HydrophobicContact CG2-CG 3.62Å; V100-F319 HydrophobicContact CG2-CZ 4.34Å |
| 101 | P | 94.6 | Very high | 92.1 | Very high | 51 Ų | 51 | 36.1 Ų | 36.1 | 33% | 0.331 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63 | -42.6 | 175.8 | -22.8 | 33.8 | 0 | 0 | 0 | 112.5 | I57 L96 T98 D103 A104 T105 | I57-P101 HydrophobicContact CD1-CG 3.98Å; L96-P101 VanDerWaalsContact O-CD 3.26Å; L96-P101 WeakPolarHBondContact O-CD 3.2Å; T98-P101 WeakPolarHBondContact O-CD 3.47Å; P101-D103 VanDerWaalsContact C-N 3.3Å; P101-D103 PolarHBondContact O-N 3.33Å; P101-A104 WeakPolarHBondContact O-CB 3.39Å; P101-A104 PolarHBondContact O-N 2.86Å; P101-T105 PolarHBondContact O-N 3.42Å |
| 102 | V | 94.2 | Very high | 91.8 | Very high | 14 Ų | 14 | 37.2 Ų | 37.2 | 9% | 0.085 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -40 | 177.3 | 173 | 0 | 0 | 0 | 0 | 110.5 | T98 C99 A104 T105 W112 F114 L122 | T98-V102 WeakPolarHBondContact O-CG2 3.18Å; T98-V102 PolarHBondContact O-N 2.89Å; C99-V102 PolarHBondContact O-N 3.46Å; V102-A104 VanDerWaalsContact C-N 3.31Å; V102-A104 PolarHBondContact O-N 3.3Å; V102-T105 WeakPolarHBondContact O-CB 3.43Å; V102-T105 PolarHBondContact O-N 3.33Å; V102-T105 VanDerWaalsContact O-N 3.14Å; V102-T105 PolarHBondContact O-OG1 2.86Å; V102-W112 HydrophobicContact CG1-CH2 3.57Å; V102-W112 HydrophobicContact CG1-CZ2 4.47Å; V102-W112 HydrophobicContact CG1-CZ3 3.83Å; V102-F114 HydrophobicContact CB-CD2 4.43Å; V102-F114 HydrophobicContact CB-CE2 4.02Å; V102-F114 HydrophobicContact CB-CZ 4.18Å; V102-F114 HydrophobicContact CG1-CD2 3.43Å; V102-F114 VanDerWaalsContact CG1-CD2 3.43Å; V102-F114 HydrophobicContact CG1-CE2 3.34Å; V102-F114 HydrophobicContact CG1-CG 4.16Å; V102-F114 HydrophobicContact CG1-CZ 3.99Å; V102-F114 HydrophobicContact CG2-CD1 4.22Å; V102-F114 HydrophobicContact CG2-CD2 4.33Å; V102-F114 HydrophobicContact CG2-CE1 3.81Å; V102-F114 HydrophobicContact CG2-CE2 3.96Å; V102-F114 HydrophobicContact CG2-CG 4.46Å; V102-F114 HydrophobicContact CG2-CZ 3.68Å; V102-L122 HydrophobicContact CB-CD1 3.88Å; V102-L122 HydrophobicContact CG1-CD1 3.42Å; V102-L122 VanDerWaalsContact CG1-CD1 3.42Å; V102-L122 HydrophobicContact CG2-CD1 3.73Å; V102-L122 HydrophobicContact CG2-CD2 4.26Å |
| 103 | D | 92.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.9 | -38.5 | 177.1 | -166.1 | 65.1 | 0 | 0 | 0 | 113.5 | Y53 C99 V100 P101 T105 R106 R315 F319 | Y53-D103 HydrophobicContact CE1-CB 4.16Å; Y53-D103 PolarHBondContact OH-OD2 3.41Å; C99-D103 VanDerWaalsContact O-CB 3.26Å; C99-D103 WeakPolarHBondContact O-CB 3.34Å; C99-D103 PolarHBondContact O-N 2.92Å; V100-D103 PolarHBondContact O-N 2.89Å; P101-D103 VanDerWaalsContact C-N 3.3Å; P101-D103 PolarHBondContact O-N 3.33Å; D103-T105 PolarHBondContact O-N 3.21Å; D103-R106 WeakPolarHBondContact O-CB 3.42Å; D103-R106 PolarHBondContact O-N 3.35Å; D103-R106 IonicContact OD1-CZ 3.76Å; D103-R106 IonicContact OD1-NE 2.73Å; D103-R106 IonicContact OD1-NH1 3.59Å; D103-R106 PolarHBondContact OD1-NH1 3.04Å; D103-R315 VanDerWaalsContact CG-NH2 3.29Å; D103-R315 IonicContact OD1-CZ 2.63Å; D103-R315 IonicContact OD1-NE 2.66Å; D103-R315 PolarHBondContact OD1-NE 3.17Å; D103-R315 IonicContact OD1-NH2 2.99Å; D103-R315 PolarHBondContact OD1-NH2 3.48Å; D103-R315 IonicContact OD2-CZ 3.91Å; D103-R315 IonicContact OD2-NE 3.71Å; D103-R315 PolarHBondContact OD2-NE 2.87Å; D103-R315 IonicContact OD2-NH2 3.69Å; D103-F319 HydrophobicContact CB-CE2 3.89Å; D103-F319 HydrophobicContact CB-CZ 4.03Å; D103-F319 WeakPolarHBondContact OD2-CE2 3.27Å |
| 104 | A | 92.3 | Very high | 91.5 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 7% | 0.066 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.5 | -27.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y50 Y53 V100 P101 V102 R106 Y107 | Y50-A104 HydrophobicContact CD1-CB 4.48Å; Y50-A104 HydrophobicContact CE1-CB 3.99Å; Y50-A104 PolarHBondContact OH-O 3.41Å; Y53-A104 HydrophobicContact CD1-CB 3.68Å; Y53-A104 HydrophobicContact CE1-CB 4.21Å; Y53-A104 HydrophobicContact CG-CB 4.24Å; V100-A104 PolarHBondContact O-N 2.92Å; V100-A104 VanDerWaalsContact O-N 3.11Å; P101-A104 WeakPolarHBondContact O-CB 3.39Å; P101-A104 PolarHBondContact O-N 2.86Å; V102-A104 VanDerWaalsContact C-N 3.31Å; V102-A104 PolarHBondContact O-N 3.3Å; A104-R106 PolarHBondContact O-N 2.78Å; A104-Y107 PolarHBondContact O-N 3.3Å |
| 105 | T | 91.3 | Very high | 91.3 | Very high | 39 Ų | 39 | 43.5 Ų | 43.5 | 24% | 0.239 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.6 | -25.8 | 179.4 | 68.5 | 0 | 0 | 0 | 0 | 113 | P101 V102 D103 Y107 V108 V109 F114 | P101-T105 PolarHBondContact O-N 3.42Å; V102-T105 WeakPolarHBondContact O-CB 3.43Å; V102-T105 PolarHBondContact O-N 3.33Å; V102-T105 VanDerWaalsContact O-N 3.14Å; V102-T105 PolarHBondContact O-OG1 2.86Å; D103-T105 PolarHBondContact O-N 3.21Å; T105-Y107 PolarHBondContact O-N 2.89Å; T105-Y107 VanDerWaalsContact O-N 3.08Å; T105-V108 PolarHBondContact O-N 3.29Å; T105-V108 VanDerWaalsContact O-N 3.12Å; T105-V109 PolarHBondContact O-N 2.9Å; T105-F114 HydrophobicContact CG2-CE2 4.31Å; T105-F114 HydrophobicContact CG2-CZ 4.22Å |
| 106 | R | 87.3 | Confident | 91.2 | Very high | 86 Ų | 86 | 50.4 Ų | 50.4 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -14.3 | -179.1 | -63.2 | 179.1 | 167.4 | 107.6 | -1.9 | 113.8 | D103 A104 W112 | D103-R106 WeakPolarHBondContact O-CB 3.42Å; D103-R106 PolarHBondContact O-N 3.35Å; D103-R106 IonicContact OD1-CZ 3.76Å; D103-R106 IonicContact OD1-NE 2.73Å; D103-R106 IonicContact OD1-NH1 3.59Å; D103-R106 PolarHBondContact OD1-NH1 3.04Å; A104-R106 PolarHBondContact O-N 2.78Å; R106-W112 VanDerWaalsContact CZ-CZ3 3.49Å |
| 107 | Y | 86.6 | Confident | 91.1 | Very high | 25 Ų | 25 | 57.1 Ų | 57.1 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -10.3 | 179.8 | -55.6 | -70.2 | 0 | 0 | 0 | 113.4 | L46 I49 Y53 A104 T105 I312 | L46-Y107 VanDerWaalsContact CD2-O 3.3Å; L46-Y107 WeakPolarHBondContact CD2-O 3.09Å; I49-Y107 HydrophobicContact CD1-CD1 4.18Å; I49-Y107 HydrophobicContact CD1-CG 4.17Å; I49-Y107 HydrophobicContact CG2-CD2 3.64Å; I49-Y107 HydrophobicContact CG2-CE2 3.97Å; I49-Y107 HydrophobicContact CG2-CG 4.13Å; Y53-Y107 HydrophobicContact CE1-CE2 4.44Å; Y53-Y107 HydrophobicContact CE2-CE2 4.35Å; Y53-Y107 AromaticContact CZ-CE2 3.89Å; Y53-Y107 PolarHBondContact OH-OH 3.49Å; A104-Y107 PolarHBondContact O-N 3.3Å; T105-Y107 PolarHBondContact O-N 2.89Å; T105-Y107 VanDerWaalsContact O-N 3.08Å; Y107-I312 HydrophobicContact CD1-CG1 4.16Å; Y107-I312 HydrophobicContact CE1-CD1 4.3Å; Y107-I312 HydrophobicContact CE1-CG1 3.45Å; Y107-I312 VanDerWaalsContact CE1-CG1 3.45Å |
| 108 | V | 85.6 | Confident | 91 | Very high | 71 Ų | 71 | 52.4 Ų | 52.4 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -29.1 | 177.4 | 168 | 0 | 0 | 0 | 0 | 111.9 | L46 Y50 T105 | L46-V108 HydrophobicContact CD2-CG2 4.23Å; Y50-V108 HydrophobicContact CE2-CG2 3.49Å; Y50-V108 VanDerWaalsContact CE2-CG2 3.49Å; Y50-V108 WeakPolarHBondContact OH-CB 3.43Å; Y50-V108 WeakPolarHBondContact OH-CG2 3.38Å; T105-V108 PolarHBondContact O-N 3.29Å; T105-V108 VanDerWaalsContact O-N 3.12Å |
| 109 | V | 84.8 | Confident | 90.9 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 29% | 0.291 | 27% | 0.267 | S | S | . | . | trans | -121.5 | 121.5 | -180 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | T105 T111 L113 | T105-V109 PolarHBondContact O-N 2.9Å; V109-T111 VanDerWaalsContact C-N 3.27Å; V109-T111 WeakPolarHBondContact CG1-O 3.47Å; V109-T111 VanDerWaalsContact CG1-OG1 3.28Å; V109-T111 WeakPolarHBondContact CG1-OG1 3.38Å; V109-T111 PolarHBondContact O-N 2.85Å; V109-L113 HydrophobicContact CB-CD1 4.38Å; V109-L113 HydrophobicContact CG1-CD1 4.35Å; V109-L113 HydrophobicContact CG1-CD2 4.01Å; V109-L113 HydrophobicContact CG1-CG 4.16Å; V109-L113 HydrophobicContact CG2-CD1 4.2Å | ||
| 110 | D | 77.9 | Confident | 90.9 | Very high | 100 Ų | 100 | 53.1 Ų | 53.1 | 54% | 0.535 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -70.6 | -25.7 | 178.7 | -64.7 | -34 | 0 | 0 | 0 | 112.1 | F199 | D110-F199 WeakPolarHBondContact O-CD2 3.49Š|
| 111 | T | 86.1 | Confident | 90.9 | Very high | 65 Ų | 65 | 57.4 Ų | 57.4 | 40% | 0.399 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -90.6 | 145.7 | 179.1 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | V109 L113 F199 E200 | V109-T111 VanDerWaalsContact C-N 3.27Å; V109-T111 WeakPolarHBondContact CG1-O 3.47Å; V109-T111 VanDerWaalsContact CG1-OG1 3.28Å; V109-T111 WeakPolarHBondContact CG1-OG1 3.38Å; V109-T111 PolarHBondContact O-N 2.85Å; T111-L113 PolarHBondContact O-N 2.91Å; T111-F199 HydrophobicContact CG2-CB 3.65Å; T111-E200 CarbonylContact C-O 3.48Å; T111-E200 WeakPolarHBondContact CA-O 3.21Å |
| 112 | W | 90.4 | Very high | 90.9 | Very high | 24 Ų | 24 | 56 Ų | 56 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | trans | -75.1 | 112.4 | 174.7 | -179.2 | -98.5 | 0 | 0 | 0 | 112.2 | V102 R106 F114 G115 C119 L122 L187 E200 C202 | V102-W112 HydrophobicContact CG1-CH2 3.57Å; V102-W112 HydrophobicContact CG1-CZ2 4.47Å; V102-W112 HydrophobicContact CG1-CZ3 3.83Å; R106-W112 VanDerWaalsContact CZ-CZ3 3.49Å; W112-F114 HydrophobicContact CH2-CD2 4.22Å; W112-F114 HydrophobicContact CZ2-CB 3.8Å; W112-F114 HydrophobicContact CZ2-CD2 4.2Å; W112-F114 HydrophobicContact CZ2-CG 4.4Å; W112-F114 HydrophobicContact CZ3-CD2 4.35Å; W112-G115 PolarHBondContact NE1-O 2.89Å; W112-C119 HydrophobicContact CZ2-CB 4.18Å; W112-L122 HydrophobicContact CH2-CD1 3.71Å; W112-L122 HydrophobicContact CZ2-CD1 3.85Å; W112-L187 HydrophobicContact CB-CD2 4.06Å; W112-L187 HydrophobicContact CG-CD2 3.78Å; W112-E200 PolarHBondContact N-O 2.95Å; W112-C202 HydrophobicContact CD2-CB 3.6Å; W112-C202 HydrophobicContact CE3-CB 3.81Å; W112-C202 HydrophobicContact CG-CB 3.98Å; W112-C202 HydrophobicContact CH2-CB 4.48Å; W112-C202 HydrophobicContact CZ2-CB 4.29Å; W112-C202 HydrophobicContact CZ3-CB 4.29Å | ||
| 113 | L | 91.6 | Very high | 91 | Very high | 105 Ų | 105 | 55.7 Ų | 55.7 | 55% | 0.55 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -17.7 | -174.4 | -62.9 | 178.4 | 0 | 0 | 0 | 115.4 | V109 T111 | V109-L113 HydrophobicContact CB-CD1 4.38Å; V109-L113 HydrophobicContact CG1-CD1 4.35Å; V109-L113 HydrophobicContact CG1-CD2 4.01Å; V109-L113 HydrophobicContact CG1-CG 4.16Å; V109-L113 HydrophobicContact CG2-CD1 4.2Å; T111-L113 PolarHBondContact O-N 2.91Å |
| 114 | F | 92.8 | Very high | 91.1 | Very high | 87 Ų | 87 | 57.8 Ų | 57.8 | 38% | 0.382 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 11.1 | -166.6 | -57.1 | -86.9 | 0 | 0 | 0 | 113.7 | V102 T105 W112 G118 | V102-F114 HydrophobicContact CB-CD2 4.43Å; V102-F114 HydrophobicContact CB-CE2 4.02Å; V102-F114 HydrophobicContact CB-CZ 4.18Å; V102-F114 HydrophobicContact CG1-CD2 3.43Å; V102-F114 VanDerWaalsContact CG1-CD2 3.43Å; V102-F114 HydrophobicContact CG1-CE2 3.34Å; V102-F114 HydrophobicContact CG1-CG 4.16Å; V102-F114 HydrophobicContact CG1-CZ 3.99Å; V102-F114 HydrophobicContact CG2-CD1 4.22Å; V102-F114 HydrophobicContact CG2-CD2 4.33Å; V102-F114 HydrophobicContact CG2-CE1 3.81Å; V102-F114 HydrophobicContact CG2-CE2 3.96Å; V102-F114 HydrophobicContact CG2-CG 4.46Å; V102-F114 HydrophobicContact CG2-CZ 3.68Å; T105-F114 HydrophobicContact CG2-CE2 4.31Å; T105-F114 HydrophobicContact CG2-CZ 4.22Å; W112-F114 HydrophobicContact CH2-CD2 4.22Å; W112-F114 HydrophobicContact CZ2-CB 3.8Å; W112-F114 HydrophobicContact CZ2-CD2 4.2Å; W112-F114 HydrophobicContact CZ2-CG 4.4Å; W112-F114 HydrophobicContact CZ3-CD2 4.35Å; F114-G118 WeakPolarHBondContact O-CA 3.37Å; F114-G118 PolarHBondContact O-N 3.39Å; F114-G118 VanDerWaalsContact O-N 3.16Å |
| 115 | G | 92.6 | Very high | 91.4 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | 60.1 | -177.9 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | W112 I117 G118 C119 | W112-G115 PolarHBondContact NE1-O 2.89Å; G115-I117 VanDerWaalsContact C-N 3.35Å; G115-I117 PolarHBondContact O-N 2.7Å; G115-G118 PolarHBondContact O-N 3Å; G115-C119 PolarHBondContact O-N 2.92Å |
| 116 | R | 92.8 | Very high | 91.6 | Very high | 147 Ų | 147 | 57.9 Ų | 57.9 | 56% | 0.555 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.8 | -40.3 | -177.4 | -179.5 | 176.2 | -79.7 | 172.2 | -0.5 | 112.7 | C119 K120 D186 L187 | R116-C119 WeakPolarHBondContact O-CB 3.31Å; R116-C119 PolarHBondContact O-N 3.44Å; R116-K120 PolarHBondContact O-N 3.35Å; R116-K120 VanDerWaalsContact O-N 3.13Å; R116-D186 IonicContact CZ-OD1 3.08Å; R116-D186 IonicContact NE-OD1 3.31Å; R116-D186 PolarHBondContact NE-OD1 3.11Å; R116-D186 IonicContact NE-OD2 2.98Å; R116-D186 IonicContact NH2-OD1 3.33Å; R116-D186 PolarHBondContact NH2-OD1 3.21Å; R116-L187 HydrophobicContact CB-CD1 4.06Å; R116-L187 HydrophobicContact CB-CG 4.33Å |
| 117 | I | 94.8 | Very high | 92 | Very high | 141 Ų | 141 | 54.5 Ų | 54.5 | 72% | 0.723 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.1 | -46.6 | 178.5 | -62.1 | 171.8 | 0 | 0 | 0 | 110.3 | G115 C119 K120 L121 | G115-I117 VanDerWaalsContact C-N 3.35Å; G115-I117 PolarHBondContact O-N 2.7Å; I117-C119 VanDerWaalsContact C-N 3.3Å; I117-C119 PolarHBondContact O-N 2.78Å; I117-K120 PolarHBondContact O-N 2.96Å; I117-L121 VanDerWaalsContact O-CB 3.26Å; I117-L121 WeakPolarHBondContact O-CB 3.46Å; I117-L121 PolarHBondContact O-N 3.32Å |
| 118 | G | 94.1 | Very high | 92.5 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 12% | 0.124 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F114 G115 K120 L121 L122 | F114-G118 WeakPolarHBondContact O-CA 3.37Å; F114-G118 PolarHBondContact O-N 3.39Å; F114-G118 VanDerWaalsContact O-N 3.16Å; G115-G118 PolarHBondContact O-N 3Å; G118-K120 PolarHBondContact O-N 3.42Å; G118-L121 PolarHBondContact O-N 3.47Å; G118-L122 VanDerWaalsContact O-CB 3.22Å; G118-L122 WeakPolarHBondContact O-CB 3.45Å; G118-L122 WeakPolarHBondContact O-CD1 3.4Å; G118-L122 WeakPolarHBondContact O-CG 3.42Å; G118-L122 PolarHBondContact O-N 3.35Å |
| 119 | C | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59 | -48.5 | 177.2 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | W112 G115 R116 I117 S123 D186 L187 C202 | W112-C119 HydrophobicContact CZ2-CB 4.18Å; G115-C119 PolarHBondContact O-N 2.92Å; R116-C119 WeakPolarHBondContact O-CB 3.31Å; R116-C119 PolarHBondContact O-N 3.44Å; I117-C119 VanDerWaalsContact C-N 3.3Å; I117-C119 PolarHBondContact O-N 2.78Å; C119-S123 PolarHBondContact O-N 2.84Å; C119-S123 PolarHBondContact O-OG 3.37Å; C119-D186 PolarHBondContact SG-O 3.19Å; C119-L187 HydrophobicContact CB-CD2 4.13Å; C119-C202 WeakPolarHBondContact CA-SG 3.31Å; C119-C202 HydrophobicContact CB-CB 3.71Å; C119-C202 WeakPolarHBondContact CB-SG 3.5Å; C119-C202 VanDerWaalsContact SG-CA 3.57Å; C119-C202 WeakPolarHBondContact SG-CB 3.48Å; C119-C202 CovalentContact SG-SG 2.03Å; C119-C202 PolarHBondContact SG-SG 2.92Å |
| 120 | K | 95.3 | Very high | 93.6 | Very high | 58 Ų | 58 | 48 Ų | 48 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.9 | -47 | 178.4 | -64.1 | -172.8 | -173.9 | -71 | 0 | 112.3 | R116 I117 G118 F124 A182 V183 S185 D186 | R116-K120 PolarHBondContact O-N 3.35Å; R116-K120 VanDerWaalsContact O-N 3.13Å; I117-K120 PolarHBondContact O-N 2.96Å; G118-K120 PolarHBondContact O-N 3.42Å; K120-F124 WeakPolarHBondContact O-CB 3.35Å; K120-F124 PolarHBondContact O-N 3.25Å; K120-F124 VanDerWaalsContact O-N 3.09Å; K120-A182 WeakPolarHBondContact CD-O 3.34Å; K120-A182 VanDerWaalsContact CG-O 3.26Å; K120-A182 WeakPolarHBondContact CG-O 3.41Å; K120-V183 PolarHBondContact NZ-O 3.14Å; K120-S185 WeakPolarHBondContact CE-O 3.26Å; K120-S185 WeakPolarHBondContact CG-O 3.47Å; K120-S185 PolarHBondContact NZ-O 3.5Å; K120-D186 IonicContact NZ-OD2 2.78Å; K120-D186 PolarHBondContact NZ-OD2 3.4Å |
| 121 | L | 96 | Very high | 94.5 | Very high | 90 Ų | 90 | 43.3 Ų | 43.3 | 47% | 0.471 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.2 | -41.4 | -174.8 | -178.3 | 61.2 | 0 | 0 | 0 | 112.6 | I117 G118 F124 I125 | I117-L121 VanDerWaalsContact O-CB 3.26Å; I117-L121 WeakPolarHBondContact O-CB 3.46Å; I117-L121 PolarHBondContact O-N 3.32Å; G118-L121 PolarHBondContact O-N 3.47Å; L121-F124 WeakPolarHBondContact O-CB 3.26Å; L121-F124 PolarHBondContact O-N 3.41Å; L121-I125 HydrophobicContact CD1-CD1 3.95Å; L121-I125 HydrophobicContact CD1-CG1 4.21Å; L121-I125 HydrophobicContact CD2-CD1 4.48Å; L121-I125 HydrophobicContact CG-CD1 3.81Å; L121-I125 HydrophobicContact CG-CG1 4.45Å; L121-I125 WeakPolarHBondContact O-CB 3.31Å; L121-I125 VanDerWaalsContact O-CG1 3.24Å; L121-I125 WeakPolarHBondContact O-CG1 3.38Å; L121-I125 PolarHBondContact O-N 3.16Å |
| 122 | L | 95.6 | Very high | 95 | Very high | 21 Ų | 21 | 40.2 Ų | 40.2 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -74.1 | -36.6 | -177 | -67.4 | 168 | 0 | 0 | 0 | 112.3 | C99 V102 W112 G118 F124 I125 Q126 | C99-L122 PolarHBondContact SG-O 3.01Å; C99-L122 VanDerWaalsContact SG-O 3.42Å; V102-L122 HydrophobicContact CB-CD1 3.88Å; V102-L122 HydrophobicContact CG1-CD1 3.42Å; V102-L122 VanDerWaalsContact CG1-CD1 3.42Å; V102-L122 HydrophobicContact CG2-CD1 3.73Å; V102-L122 HydrophobicContact CG2-CD2 4.26Å; W112-L122 HydrophobicContact CH2-CD1 3.71Å; W112-L122 HydrophobicContact CZ2-CD1 3.85Å; G118-L122 VanDerWaalsContact O-CB 3.22Å; G118-L122 WeakPolarHBondContact O-CB 3.45Å; G118-L122 WeakPolarHBondContact O-CD1 3.4Å; G118-L122 WeakPolarHBondContact O-CG 3.42Å; G118-L122 PolarHBondContact O-N 3.35Å; L122-F124 VanDerWaalsContact C-N 3.34Å; L122-I125 PolarHBondContact O-N 3.07Å; L122-Q126 VanDerWaalsContact O-CB 3.29Å; L122-Q126 WeakPolarHBondContact O-CB 3.38Å; L122-Q126 PolarHBondContact O-N 3.29Å |
| 123 | S | 94.9 | Very high | 95.2 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -43.3 | 171.3 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | C119 Q126 L127 S185 | C119-S123 PolarHBondContact O-N 2.84Å; C119-S123 PolarHBondContact O-OG 3.37Å; S123-Q126 PolarHBondContact O-N 3.01Å; S123-L127 PolarHBondContact O-N 3.26Å; S123-S185 WeakPolarHBondContact CB-OG 3.28Å; S123-S185 PolarHBondContact OG-OG 2.8Å; S123-S185 VanDerWaalsContact OG-OG 3.11Å |
| 124 | F | 96.7 | Very high | 95.5 | Very high | 45 Ų | 45 | 34.2 Ų | 34.2 | 20% | 0.197 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59 | -49.7 | 174.6 | 176.8 | -104.8 | 0 | 0 | 0 | 112.8 | K120 L121 L122 Q126 L127 T128 M175 A178 V179 A182 | K120-F124 WeakPolarHBondContact O-CB 3.35Å; K120-F124 PolarHBondContact O-N 3.25Å; K120-F124 VanDerWaalsContact O-N 3.09Å; L121-F124 WeakPolarHBondContact O-CB 3.26Å; L121-F124 PolarHBondContact O-N 3.41Å; L122-F124 VanDerWaalsContact C-N 3.34Å; F124-Q126 VanDerWaalsContact C-N 3.33Å; F124-Q126 PolarHBondContact O-N 3.29Å; F124-L127 PolarHBondContact O-N 3.1Å; F124-T128 VanDerWaalsContact O-CB 3.23Å; F124-T128 WeakPolarHBondContact O-CB 3.44Å; F124-T128 PolarHBondContact O-N 3.47Å; F124-T128 PolarHBondContact O-OG1 3.32Å; F124-M175 HydrophobicContact CE1-CG 4.43Å; F124-M175 HydrophobicContact CE2-CB 4.41Å; F124-M175 WeakPolarHBondContact CE2-O 3.44Å; F124-M175 HydrophobicContact CZ-CB 3.91Å; F124-M175 HydrophobicContact CZ-CG 3.78Å; F124-M175 HydrophobicContact CZ-SD 4.38Å; F124-A178 HydrophobicContact CD2-CB 3.83Å; F124-A178 HydrophobicContact CE2-CB 3.85Å; F124-V179 HydrophobicContact CE2-CG2 4.31Å; F124-A182 HydrophobicContact CB-CB 3.83Å; F124-A182 HydrophobicContact CD2-CB 4.05Å; F124-A182 HydrophobicContact CG-CB 4.27Å |
| 125 | I | 96.9 | Very high | 95.7 | Very high | 18 Ų | 18 | 31.3 Ų | 31.3 | 9% | 0.092 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 179.2 | -71.4 | 168.2 | 0 | 0 | 0 | 110.3 | L94 L121 L122 T128 S129 | L94-I125 HydrophobicContact CD1-CG2 4.33Å; L94-I125 HydrophobicContact CD2-CG2 3.84Å; L94-I125 HydrophobicContact CG-CG2 3.64Å; L121-I125 HydrophobicContact CD1-CD1 3.95Å; L121-I125 HydrophobicContact CD1-CG1 4.21Å; L121-I125 HydrophobicContact CD2-CD1 4.48Å; L121-I125 HydrophobicContact CG-CD1 3.81Å; L121-I125 HydrophobicContact CG-CG1 4.45Å; L121-I125 WeakPolarHBondContact O-CB 3.31Å; L121-I125 VanDerWaalsContact O-CG1 3.24Å; L121-I125 WeakPolarHBondContact O-CG1 3.38Å; L121-I125 PolarHBondContact O-N 3.16Å; L122-I125 PolarHBondContact O-N 3.07Å; I125-T128 PolarHBondContact O-N 3Å; I125-S129 WeakPolarHBondContact O-CB 3.3Å; I125-S129 PolarHBondContact O-N 3.26Å |
| 126 | Q | 96.2 | Very high | 95.8 | Very high | 30 Ų | 30 | 29.8 Ų | 29.8 | 14% | 0.14 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.1 | -53 | 179.2 | -179.8 | 170.5 | -4 | 0 | 0 | 110.6 | L95 L122 S123 F124 T128 S129 V130 | L95-Q126 HydrophobicContact CD1-CB 4.23Å; L95-Q126 HydrophobicContact CD1-CG 4.13Å; L122-Q126 VanDerWaalsContact O-CB 3.29Å; L122-Q126 WeakPolarHBondContact O-CB 3.38Å; L122-Q126 PolarHBondContact O-N 3.29Å; S123-Q126 PolarHBondContact O-N 3.01Å; F124-Q126 VanDerWaalsContact C-N 3.33Å; F124-Q126 PolarHBondContact O-N 3.29Å; Q126-T128 PolarHBondContact O-N 3.04Å; Q126-S129 WeakPolarHBondContact O-CB 3.48Å; Q126-S129 PolarHBondContact O-N 3.35Å; Q126-V130 WeakPolarHBondContact O-CG2 3.12Å; Q126-V130 PolarHBondContact O-N 2.99Å; Q126-V130 VanDerWaalsContact O-N 3.14Å |
| 127 | L | 96.3 | Very high | 95.9 | Very high | 16 Ų | 16 | 23 Ų | 23 | 8% | 0.084 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.1 | -35.2 | -178.1 | -169 | 62 | 0 | 0 | 0 | 112.4 | S123 F124 S129 V130 G131 A178 E181 F224 | S123-L127 PolarHBondContact O-N 3.26Å; F124-L127 PolarHBondContact O-N 3.1Å; L127-S129 VanDerWaalsContact C-N 3.32Å; L127-S129 PolarHBondContact O-N 3.04Å; L127-V130 WeakPolarHBondContact O-CB 3.45Å; L127-V130 PolarHBondContact O-N 3.42Å; L127-G131 PolarHBondContact O-N 3.42Å; L127-A178 HydrophobicContact CB-CB 4.09Å; L127-A178 HydrophobicContact CD2-CB 4.23Å; L127-A178 HydrophobicContact CG-CB 4.16Å; L127-E181 HydrophobicContact CB-CG 4.35Å; L127-E181 HydrophobicContact CD2-CB 3.52Å; L127-E181 HydrophobicContact CD2-CG 3.89Å; L127-F224 HydrophobicContact CD1-CD1 4.03Å; L127-F224 HydrophobicContact CD1-CD2 3.72Å; L127-F224 HydrophobicContact CD1-CE1 4.1Å; L127-F224 HydrophobicContact CD1-CE2 3.81Å; L127-F224 HydrophobicContact CD1-CG 3.83Å; L127-F224 HydrophobicContact CD1-CZ 3.99Å; L127-F224 HydrophobicContact CD2-CD2 4.4Å; L127-F224 HydrophobicContact CD2-CE2 3.74Å; L127-F224 HydrophobicContact CD2-CZ 3.92Å; L127-F224 HydrophobicContact CG-CD1 4.43Å; L127-F224 HydrophobicContact CG-CD2 4.25Å; L127-F224 HydrophobicContact CG-CE1 3.99Å; L127-F224 HydrophobicContact CG-CE2 3.8Å; L127-F224 HydrophobicContact CG-CZ 3.64Å |
| 128 | T | 97.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.018 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 172.2 | -63.2 | 0 | 0 | 0 | 0 | 111 | F124 I125 Q126 V130 G131 V132 M175 A178 | F124-T128 VanDerWaalsContact O-CB 3.23Å; F124-T128 WeakPolarHBondContact O-CB 3.44Å; F124-T128 PolarHBondContact O-N 3.47Å; F124-T128 PolarHBondContact O-OG1 3.32Å; I125-T128 PolarHBondContact O-N 3Å; Q126-T128 PolarHBondContact O-N 3.04Å; T128-V130 VanDerWaalsContact C-N 3.34Å; T128-V130 PolarHBondContact O-N 3.5Å; T128-G131 PolarHBondContact O-N 2.9Å; T128-V132 HydrophobicContact CG2-CG2 4.29Å; T128-V132 WeakPolarHBondContact O-CG2 3.16Å; T128-V132 PolarHBondContact O-N 2.91Å; T128-M175 HydrophobicContact CG2-CG 3.61Å; T128-A178 WeakPolarHBondContact OG1-CB 3.49Å |
| 129 | S | 96.2 | Very high | 96 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.1 | -39.3 | 177.3 | -169.7 | 0 | 0 | 0 | 0 | 112.3 | G91 I125 Q126 L127 S133 | G91-S129 PolarHBondContact O-OG 3.36Å; I125-S129 WeakPolarHBondContact O-CB 3.3Å; I125-S129 PolarHBondContact O-N 3.26Å; Q126-S129 WeakPolarHBondContact O-CB 3.48Å; Q126-S129 PolarHBondContact O-N 3.35Å; L127-S129 VanDerWaalsContact C-N 3.32Å; L127-S129 PolarHBondContact O-N 3.04Å; S129-S133 WeakPolarHBondContact O-CB 3.35Å; S129-S133 PolarHBondContact O-N 3.4Å; S129-S133 PolarHBondContact O-OG 2.86Å |
| 130 | V | 96.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.012 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.4 | -48.9 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | Q126 L127 T128 S133 V134 F224 F279 W283 | Q126-V130 WeakPolarHBondContact O-CG2 3.12Å; Q126-V130 PolarHBondContact O-N 2.99Å; Q126-V130 VanDerWaalsContact O-N 3.14Å; L127-V130 WeakPolarHBondContact O-CB 3.45Å; L127-V130 PolarHBondContact O-N 3.42Å; T128-V130 VanDerWaalsContact C-N 3.34Å; T128-V130 PolarHBondContact O-N 3.5Å; V130-S133 WeakPolarHBondContact O-CB 3.01Å; V130-S133 PolarHBondContact O-N 2.92Å; V130-S133 VanDerWaalsContact O-N 3.16Å; V130-V134 PolarHBondContact O-N 2.93Å; V130-F224 HydrophobicContact CB-CD1 4.47Å; V130-F224 HydrophobicContact CG1-CB 3.99Å; V130-F224 HydrophobicContact CG1-CD1 4.23Å; V130-F224 HydrophobicContact CG1-CG 4.5Å; V130-F279 HydrophobicContact CG1-CE2 4.36Å; V130-F279 HydrophobicContact CG1-CZ 4.16Å; V130-W283 HydrophobicContact CG1-CE3 4.46Å; V130-W283 HydrophobicContact CG2-CD2 4.18Å; V130-W283 HydrophobicContact CG2-CE3 3.76Å; V130-W283 HydrophobicContact CG2-CH2 3.13Å; V130-W283 HydrophobicContact CG2-CZ2 3.57Å; V130-W283 HydrophobicContact CG2-CZ3 3.21Å |
| 131 | G | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57.9 | -52.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L127 T128 S133 V134 F135 S174 | L127-G131 PolarHBondContact O-N 3.42Å; T128-G131 PolarHBondContact O-N 2.9Å; G131-S133 PolarHBondContact O-N 3.38Å; G131-V134 PolarHBondContact O-N 2.86Å; G131-F135 VanDerWaalsContact O-CB 3.22Å; G131-F135 WeakPolarHBondContact O-CB 3.49Å; G131-F135 VanDerWaalsContact O-CD2 3.28Å; G131-F135 WeakPolarHBondContact O-CD2 3.34Å; G131-F135 VanDerWaalsContact O-CG 3.22Å; G131-F135 WeakPolarHBondContact O-CG 3.33Å; G131-F135 PolarHBondContact O-N 3.46Å; G131-S174 PolarHBondContact O-OG 3.2Å |
| 132 | V | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -56.5 | -39.6 | 177.7 | 170.5 | 0 | 0 | 0 | 0 | 109.8 | T128 T136 W171 S174 | T128-V132 HydrophobicContact CG2-CG2 4.29Å; T128-V132 WeakPolarHBondContact O-CG2 3.16Å; T128-V132 PolarHBondContact O-N 2.91Å; V132-T136 WeakPolarHBondContact O-CB 3.26Å; V132-T136 PolarHBondContact O-N 2.95Å; V132-T136 VanDerWaalsContact O-N 3.09Å; V132-T136 PolarHBondContact O-OG1 3.08Å; V132-W171 HydrophobicContact CG1-CZ2 4.19Å; V132-W171 HydrophobicContact CG2-CD2 3.81Å; V132-W171 HydrophobicContact CG2-CE3 4.05Å; V132-W171 HydrophobicContact CG2-CG 4.12Å; V132-W171 HydrophobicContact CG2-CZ2 4.41Å; V132-W171 HydrophobicContact CG2-CZ3 4.47Å; V132-S174 WeakPolarHBondContact CA-OG 3.36Å; V132-S174 PolarHBondContact N-OG 3.49Å |
| 133 | S | 95.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 13 Ų | 13 | 2% | 0.021 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.2 | -61.7 | 177.1 | -61 | 0 | 0 | 0 | 0 | 112.5 | L88 S129 V130 G131 T136 L137 | L88-S133 VanDerWaalsContact CD2-CA 3.45Å; S129-S133 WeakPolarHBondContact O-CB 3.35Å; S129-S133 PolarHBondContact O-N 3.4Å; S129-S133 PolarHBondContact O-OG 2.86Å; V130-S133 WeakPolarHBondContact O-CB 3.01Å; V130-S133 PolarHBondContact O-N 2.92Å; V130-S133 VanDerWaalsContact O-N 3.16Å; G131-S133 PolarHBondContact O-N 3.38Å; S133-T136 PolarHBondContact O-N 3.5Å; S133-L137 WeakPolarHBondContact O-CG 3.41Å; S133-L137 PolarHBondContact O-N 3.34Å |
| 134 | V | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -72.3 | -36.4 | -170.8 | 78.1 | 0 | 0 | 0 | 0 | 112.9 | V130 G131 L137 T138 P228 F279 | V130-V134 PolarHBondContact O-N 2.93Å; G131-V134 PolarHBondContact O-N 2.86Å; V134-L137 PolarHBondContact O-N 3.18Å; V134-T138 WeakPolarHBondContact O-CB 2.85Å; V134-T138 PolarHBondContact O-N 2.9Å; V134-T138 PolarHBondContact O-OG1 2.76Å; V134-P228 HydrophobicContact CB-CB 4.36Å; V134-P228 HydrophobicContact CG1-CB 4.18Å; V134-P228 HydrophobicContact CG1-CG 3.94Å; V134-P228 HydrophobicContact CG2-CB 3.37Å; V134-P228 HydrophobicContact CG2-CG 3.97Å; V134-F279 HydrophobicContact CB-CE1 3.81Å; V134-F279 HydrophobicContact CB-CE2 4.03Å; V134-F279 HydrophobicContact CB-CZ 3.53Å; V134-F279 HydrophobicContact CG1-CZ 4.47Å; V134-F279 HydrophobicContact CG2-CD1 4.03Å; V134-F279 HydrophobicContact CG2-CE1 3.42Å; V134-F279 VanDerWaalsContact CG2-CE1 3.42Å; V134-F279 HydrophobicContact CG2-CZ 3.71Å |
| 135 | F | 97.4 | Very high | 94.7 | Very high | 27 Ų | 27 | 14.1 Ų | 14.1 | 12% | 0.118 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -71.8 | -36 | 177.2 | -59.5 | -25.8 | 0 | 0 | 0 | 111.3 | G131 T138 V139 V170 V173 S174 F177 V223 F224 P228 | G131-F135 VanDerWaalsContact O-CB 3.22Å; G131-F135 WeakPolarHBondContact O-CB 3.49Å; G131-F135 VanDerWaalsContact O-CD2 3.28Å; G131-F135 WeakPolarHBondContact O-CD2 3.34Å; G131-F135 VanDerWaalsContact O-CG 3.22Å; G131-F135 WeakPolarHBondContact O-CG 3.33Å; G131-F135 PolarHBondContact O-N 3.46Å; F135-T138 WeakPolarHBondContact O-CB 3.42Å; F135-T138 PolarHBondContact O-N 3.38Å; F135-V139 WeakPolarHBondContact O-CG2 3.34Å; F135-V139 PolarHBondContact O-N 3.32Å; F135-V170 HydrophobicContact CB-CG1 3.85Å; F135-V173 HydrophobicContact CD2-CG1 4.25Å; F135-V173 HydrophobicContact CE2-CG1 4.15Å; F135-S174 VanDerWaalsContact CD2-OG 3.31Å; F135-S174 WeakPolarHBondContact CD2-OG 3.46Å; F135-F177 AromaticContact CE2-CD2 3.92Å; F135-F177 HydrophobicContact CE2-CD2 3.92Å; F135-F177 AromaticContact CZ-CD2 3.93Å; F135-F177 HydrophobicContact CZ-CD2 3.93Å; F135-F177 HydrophobicContact CZ-CE2 4.46Å; F135-V223 HydrophobicContact CZ-CG1 4.07Å; F135-F224 HydrophobicContact CE2-CE1 4.3Å; F135-F224 HydrophobicContact CZ-CD1 4.31Å; F135-F224 HydrophobicContact CZ-CE1 4.26Å; F135-P228 HydrophobicContact CD1-CG 4.21Å; F135-P228 HydrophobicContact CE1-CG 3.88Å |
| 136 | T | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 171.5 | -64 | 0 | 0 | 0 | 0 | 111.1 | F84 L88 V132 S133 T138 V139 L140 | F84-T136 HydrophobicContact CB-CG2 3.62Å; F84-T136 HydrophobicContact CD1-CG2 3.88Å; F84-T136 HydrophobicContact CG-CG2 4.12Å; L88-T136 HydrophobicContact CD1-CG2 4.31Å; L88-T136 HydrophobicContact CD2-CG2 3.83Å; L88-T136 HydrophobicContact CG-CG2 3.81Å; V132-T136 WeakPolarHBondContact O-CB 3.26Å; V132-T136 PolarHBondContact O-N 2.95Å; V132-T136 VanDerWaalsContact O-N 3.09Å; V132-T136 PolarHBondContact O-OG1 3.08Å; S133-T136 PolarHBondContact O-N 3.5Å; T136-T138 VanDerWaalsContact C-N 3.28Å; T136-T138 PolarHBondContact O-N 3Å; T136-V139 PolarHBondContact O-N 3.26Å; T136-L140 WeakPolarHBondContact O-CB 3.5Å; T136-L140 PolarHBondContact O-N 2.96Å |
| 137 | L | 94 | Very high | 93.7 | Very high | 6 Ų | 6 | 19 Ų | 19 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.4 | -39.6 | 175.1 | -69.8 | 173.7 | 0 | 0 | 0 | 111.7 | L88 S133 V134 L140 S141 I232 L275 V276 F279 | L88-L137 HydrophobicContact CD1-CD2 4.47Å; S133-L137 WeakPolarHBondContact O-CG 3.41Å; S133-L137 PolarHBondContact O-N 3.34Å; V134-L137 PolarHBondContact O-N 3.18Å; L137-L140 PolarHBondContact O-N 3.09Å; L137-S141 PolarHBondContact O-N 2.88Å; L137-S141 PolarHBondContact O-OG 2.83Å; L137-I232 HydrophobicContact CB-CD1 4.27Å; L137-L275 HydrophobicContact CD2-CB 3.7Å; L137-L275 HydrophobicContact CD2-CD1 4.27Å; L137-V276 HydrophobicContact CB-CG2 4.08Å; L137-V276 HydrophobicContact CD1-CG2 4.24Å; L137-V276 HydrophobicContact CD2-CG2 4.32Å; L137-V276 HydrophobicContact CG-CG2 4.45Å; L137-F279 HydrophobicContact CD1-CB 3.82Å; L137-F279 HydrophobicContact CD1-CD2 4.46Å; L137-F279 HydrophobicContact CD1-CG 4.08Å |
| 138 | T | 96.4 | Very high | 93.2 | Very high | 24 Ų | 24 | 18.9 Ų | 18.9 | 15% | 0.147 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.9 | -49 | 176 | -56.3 | 0 | 0 | 0 | 0 | 112 | V134 F135 T136 L140 S141 A142 V231 I232 | V134-T138 WeakPolarHBondContact O-CB 2.85Å; V134-T138 PolarHBondContact O-N 2.9Å; V134-T138 PolarHBondContact O-OG1 2.76Å; F135-T138 WeakPolarHBondContact O-CB 3.42Å; F135-T138 PolarHBondContact O-N 3.38Å; T136-T138 VanDerWaalsContact C-N 3.28Å; T136-T138 PolarHBondContact O-N 3Å; T138-L140 VanDerWaalsContact C-N 3.28Å; T138-L140 PolarHBondContact O-N 3.41Å; T138-S141 PolarHBondContact O-N 2.62Å; T138-A142 PolarHBondContact O-N 3.22Å; T138-V231 HydrophobicContact CG2-CB 4.37Å; T138-V231 HydrophobicContact CG2-CG1 3.74Å; T138-I232 HydrophobicContact CG2-CG1 4.43Å |
| 139 | V | 94.6 | Very high | 92.6 | Very high | 42 Ų | 42 | 20.5 Ų | 20.5 | 26% | 0.255 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 176.7 | 173 | 0 | 0 | 0 | 0 | 110.8 | F84 F135 T136 A142 D143 V170 | F84-V139 HydrophobicContact CE1-CB 4.39Å; F84-V139 HydrophobicContact CE1-CG1 3.67Å; F84-V139 HydrophobicContact CE2-CG1 3.95Å; F84-V139 HydrophobicContact CZ-CB 4.46Å; F84-V139 HydrophobicContact CZ-CG1 3.34Å; F135-V139 WeakPolarHBondContact O-CG2 3.34Å; F135-V139 PolarHBondContact O-N 3.32Å; T136-V139 PolarHBondContact O-N 3.26Å; V139-A142 PolarHBondContact O-N 2.9Å; V139-D143 WeakPolarHBondContact O-CB 3.49Å; V139-D143 PolarHBondContact O-N 3.16Å; V139-V170 HydrophobicContact CG2-CG2 3.86Å |
| 140 | L | 91.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.3 | -41.5 | 178.5 | -168.5 | 58.3 | 0 | 0 | 0 | 111.2 | P81 F84 I85 T136 L137 T138 D143 R144 V272 | P81-L140 HydrophobicContact CB-CD1 3.98Å; F84-L140 HydrophobicContact CB-CD1 4.41Å; F84-L140 HydrophobicContact CD2-CD1 4.14Å; I85-L140 HydrophobicContact CG1-CD2 4.35Å; T136-L140 WeakPolarHBondContact O-CB 3.5Å; T136-L140 PolarHBondContact O-N 2.96Å; L137-L140 PolarHBondContact O-N 3.09Å; T138-L140 VanDerWaalsContact C-N 3.28Å; T138-L140 PolarHBondContact O-N 3.41Å; L140-D143 PolarHBondContact O-N 3.32Å; L140-R144 VanDerWaalsContact O-CG 3.25Å; L140-R144 WeakPolarHBondContact O-CG 3.44Å; L140-R144 PolarHBondContact O-N 2.99Å; L140-V272 HydrophobicContact CB-CG1 4.2Å; L140-V272 HydrophobicContact CD1-CG2 4.36Å; L140-V272 HydrophobicContact CD2-CB 4.33Å; L140-V272 HydrophobicContact CD2-CG1 4.03Å; L140-V272 HydrophobicContact CD2-CG2 3.44Å; L140-V272 VanDerWaalsContact CD2-CG2 3.44Å; L140-V272 HydrophobicContact CG-CB 4.38Å; L140-V272 HydrophobicContact CG-CG1 3.92Å; L140-V272 HydrophobicContact CG-CG2 3.51Å |
| 141 | S | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 172.6 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | L137 T138 R144 Y145 I232 Y236 | L137-S141 PolarHBondContact O-N 2.88Å; L137-S141 PolarHBondContact O-OG 2.83Å; T138-S141 PolarHBondContact O-N 2.62Å; S141-R144 PolarHBondContact O-N 3.16Å; S141-Y145 PolarHBondContact O-N 3.24Å; S141-I232 WeakPolarHBondContact OG-CG2 3.32Å; S141-Y236 WeakPolarHBondContact OG-CE2 3.18Å |
| 142 | A | 92.8 | Very high | 88.8 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 11% | 0.107 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | T138 V139 Y145 R146 Y235 | T138-A142 PolarHBondContact O-N 3.22Å; V139-A142 PolarHBondContact O-N 2.9Å; A142-Y145 WeakPolarHBondContact O-CB 3.21Å; A142-Y145 PolarHBondContact O-N 2.98Å; A142-R146 WeakPolarHBondContact O-CG 3.25Å; A142-R146 PolarHBondContact O-N 3.46Å; A142-Y235 HydrophobicContact CB-CD2 4.27Å; A142-Y235 HydrophobicContact CB-CE1 4.08Å; A142-Y235 HydrophobicContact CB-CE2 3.65Å |
| 143 | D | 88.8 | Confident | 87 | Confident | 32 Ų | 32 | 42.4 Ų | 42.4 | 17% | 0.171 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63 | -41.8 | 174.7 | 172.6 | 81.5 | 0 | 0 | 0 | 111.7 | V139 L140 R146 A147 | V139-D143 WeakPolarHBondContact O-CB 3.49Å; V139-D143 PolarHBondContact O-N 3.16Å; L140-D143 PolarHBondContact O-N 3.32Å; D143-R146 PolarHBondContact O-N 3.08Å; D143-A147 WeakPolarHBondContact O-CB 3.18Å; D143-A147 PolarHBondContact O-N 2.97Å |
| 144 | R | 90.3 | Very high | 85 | Confident | 23 Ų | 23 | 50 Ų | 50 | 9% | 0.087 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 173.6 | -67.5 | -53.9 | 87.4 | -174.4 | -0.6 | 112.4 | L140 S141 A147 I148 I239 A269 V272 | L140-R144 VanDerWaalsContact O-CG 3.25Å; L140-R144 WeakPolarHBondContact O-CG 3.44Å; L140-R144 PolarHBondContact O-N 2.99Å; S141-R144 PolarHBondContact O-N 3.16Å; R144-A147 PolarHBondContact O-N 3.08Å; R144-I148 WeakPolarHBondContact O-CB 3.44Å; R144-I148 WeakPolarHBondContact O-CG1 3.46Å; R144-I148 PolarHBondContact O-N 3.41Å; R144-I239 HydrophobicContact CB-CD1 4.43Å; R144-A269 HydrophobicContact CB-CB 4.2Å; R144-A269 HydrophobicContact CG-CB 4.27Å; R144-V272 HydrophobicContact CG-CG2 4.12Å |
| 145 | Y | 90.6 | Very high | 83 | Confident | 54 Ų | 54 | 58.5 Ų | 58.5 | 21% | 0.212 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.4 | -51.8 | 174.2 | 167.1 | -98.8 | 0 | 0 | 0 | 111.1 | S141 A142 A147 I148 V149 Y235 L238 I239 | S141-Y145 PolarHBondContact O-N 3.24Å; A142-Y145 WeakPolarHBondContact O-CB 3.21Å; A142-Y145 PolarHBondContact O-N 2.98Å; Y145-A147 VanDerWaalsContact C-N 3.34Å; Y145-A147 PolarHBondContact O-N 3.34Å; Y145-I148 PolarHBondContact O-N 2.9Å; Y145-V149 HydrophobicContact CD2-CB 4.31Å; Y145-V149 HydrophobicContact CD2-CG2 3.61Å; Y145-V149 HydrophobicContact CE2-CB 3.97Å; Y145-V149 HydrophobicContact CE2-CG1 4.13Å; Y145-V149 HydrophobicContact CE2-CG2 3.49Å; Y145-V149 VanDerWaalsContact CE2-CG2 3.49Å; Y145-V149 HydrophobicContact CG-CG2 4.44Å; Y145-V149 WeakPolarHBondContact O-CB 3.49Å; Y145-V149 WeakPolarHBondContact O-CG2 3.39Å; Y145-V149 PolarHBondContact O-N 2.86Å; Y145-Y235 AromaticContact CD1-CD1 3.97Å; Y145-Y235 HydrophobicContact CD1-CD1 3.97Å; Y145-Y235 HydrophobicContact CD1-CE1 4.08Å; Y145-Y235 HydrophobicContact CD2-CD1 4.37Å; Y145-Y235 AromaticContact CG-CD1 3.76Å; Y145-Y235 HydrophobicContact CG-CD1 3.76Å; Y145-Y235 HydrophobicContact CG-CE1 4.35Å; Y145-L238 HydrophobicContact CD2-CB 3.99Å; Y145-L238 HydrophobicContact CE2-CB 3.63Å; Y145-L238 HydrophobicContact CE2-CD1 4.04Å; Y145-L238 HydrophobicContact CE2-CG 4.48Å; Y145-I239 HydrophobicContact CD2-CG1 4.01Å |
| 146 | R | 88.4 | Confident | 81.1 | Confident | 132 Ų | 132 | 60.8 Ų | 60.8 | 50% | 0.498 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 178.5 | -70.3 | 178.6 | -171.6 | -166.2 | 1.9 | 111.6 | A142 D143 I148 K150 | A142-R146 WeakPolarHBondContact O-CG 3.25Å; A142-R146 PolarHBondContact O-N 3.46Å; D143-R146 PolarHBondContact O-N 3.08Å; R146-I148 VanDerWaalsContact C-N 3.34Å; R146-I148 PolarHBondContact O-N 2.92Å; R146-K150 CarbonylContact O-C 3.59Å; R146-K150 WeakPolarHBondContact O-CA 3.43Å; R146-K150 PolarHBondContact O-N 2.95Å |
| 147 | A | 84.6 | Confident | 79.4 | Confident | 19 Ų | 19 | 66.5 Ų | 66.5 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.5 | -35.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D143 R144 Y145 R265 | D143-A147 WeakPolarHBondContact O-CB 3.18Å; D143-A147 PolarHBondContact O-N 2.97Å; R144-A147 PolarHBondContact O-N 3.08Å; Y145-A147 VanDerWaalsContact C-N 3.34Å; Y145-A147 PolarHBondContact O-N 3.34Å; A147-R265 WeakPolarHBondContact O-CD 3.21Å; A147-R265 PolarHBondContact O-NH1 3.5Å |
| 148 | I | 85.5 | Confident | 78.4 | Confident | 14 Ų | 14 | 70.6 Ų | 70.6 | 7% | 0.072 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -84.7 | -39.1 | -177.5 | -67.2 | 168.4 | 0 | 0 | 0 | 111.6 | R144 Y145 R146 I239 L243 R265 A269 | R144-I148 WeakPolarHBondContact O-CB 3.44Å; R144-I148 WeakPolarHBondContact O-CG1 3.46Å; R144-I148 PolarHBondContact O-N 3.41Å; Y145-I148 PolarHBondContact O-N 2.9Å; R146-I148 VanDerWaalsContact C-N 3.34Å; R146-I148 PolarHBondContact O-N 2.92Å; I148-I239 HydrophobicContact CD1-CD1 4.5Å; I148-I239 HydrophobicContact CD1-CG2 3.99Å; I148-I239 HydrophobicContact CG2-CG2 4.26Å; I148-L243 HydrophobicContact CG2-CD1 4.45Å; I148-L243 HydrophobicContact CG2-CD2 3.78Å; I148-L243 HydrophobicContact CG2-CG 4.12Å; I148-R265 HydrophobicContact CD1-CB 4.49Å; I148-R265 HydrophobicContact CG1-CB 3.86Å; I148-A269 HydrophobicContact CD1-CB 3.72Å |
| 149 | V | 84.9 | Confident | 77.6 | Confident | 37 Ų | 37 | 70.7 Ų | 70.7 | 22% | 0.224 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -89.7 | -30.2 | -171.9 | 179.8 | 0 | 0 | 0 | 0 | 112.6 | Y145 P151 T242 | Y145-V149 HydrophobicContact CD2-CB 4.31Å; Y145-V149 HydrophobicContact CD2-CG2 3.61Å; Y145-V149 HydrophobicContact CE2-CB 3.97Å; Y145-V149 HydrophobicContact CE2-CG1 4.13Å; Y145-V149 HydrophobicContact CE2-CG2 3.49Å; Y145-V149 VanDerWaalsContact CE2-CG2 3.49Å; Y145-V149 HydrophobicContact CG-CG2 4.44Å; Y145-V149 WeakPolarHBondContact O-CB 3.49Å; Y145-V149 WeakPolarHBondContact O-CG2 3.39Å; Y145-V149 PolarHBondContact O-N 2.86Å; V149-P151 WeakPolarHBondContact O-CD 3.42Å; V149-T242 HydrophobicContact CB-CG2 4.44Å; V149-T242 HydrophobicContact CG1-CG2 4.18Å; V149-T242 HydrophobicContact CG2-CG2 4.01Å |
| 150 | K | 79.1 | Confident | 76.9 | Confident | 116 Ų | 116 | 72.9 Ų | 72.9 | 50% | 0.504 | 38% | 0.382 | S | S | . | . | trans | -123.1 | 73.7 | 179.3 | -62.7 | -171.9 | 179.8 | -172.7 | 0 | 111 | R146 L152 | R146-K150 CarbonylContact O-C 3.59Å; R146-K150 WeakPolarHBondContact O-CA 3.43Å; R146-K150 PolarHBondContact O-N 2.95Å; K150-L152 PolarHBondContact O-N 3.37Å | ||
| 151 | P | 68.3 | Low | 76.7 | Confident | 65 Ų | 65 | 79 Ų | 79 | 42% | 0.422 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -14.1 | -170.7 | 25.8 | -33.8 | 0 | 0 | 0 | 115.6 | V149 | V149-P151 WeakPolarHBondContact O-CD 3.42Š|
| 152 | L | 61.3 | Low | 76.5 | Confident | 162 Ų | 162 | 84.1 Ų | 84.1 | 85% | 0.848 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 10.5 | -170.6 | -69.7 | 167.4 | 0 | 0 | 0 | 115.4 | K150 L154 | K150-L152 PolarHBondContact O-N 3.37Å; L152-L154 PolarHBondContact O-N 3.47Å; L152-L154 VanDerWaalsContact O-N 3.15Å |
| 153 | E | 59.4 | Low | 76.3 | Confident | 122 Ų | 122 | 83.8 Ų | 83.8 | 57% | 0.57 | 43% | 0.433 | S | S | * | . | trans | -71.1 | 110.9 | 171.9 | -73.5 | -178.7 | -174.8 | 0 | 0 | 109.8 | Q155 | E153-Q155 PolarHBondContact O-N 2.94Š| ||
| 154 | L | 52.8 | Low | 76.3 | Confident | 163 Ų | 163 | 85.5 Ų | 85.5 | 85% | 0.853 | 45% | 0.447 | S | S | * | . | trans | -51.2 | 125.2 | 177.8 | -102.7 | 95.2 | 0 | 0 | 0 | 110.7 | L152 T156 | L152-L154 PolarHBondContact O-N 3.47Å; L152-L154 VanDerWaalsContact O-N 3.15Å; L154-T156 PolarHBondContact O-N 3.49Å | ||
| 155 | Q | 54.3 | Low | 76.4 | Confident | 177 Ų | 177 | 88.1 Ų | 88.1 | 83% | 0.827 | 47% | 0.468 | S | S | * | . | trans | -72.5 | 92.9 | 177.6 | -151.9 | 168.1 | 54.1 | 0 | 0 | 108.9 | E153 A159 | E153-Q155 PolarHBondContact O-N 2.94Å; Q155-A159 HydrophobicContact CG-CB 4.35Å | ||
| 156 | T | 58.2 | Low | 76.6 | Confident | 75 Ų | 75 | 89.7 Ų | 89.7 | 46% | 0.46 | 48% | 0.476 | S | S | . | . | trans | -60 | 144.7 | 177.9 | 48.2 | 0 | 0 | 0 | 0 | 111.8 | L154 N158 A159 K162 | L154-T156 PolarHBondContact O-N 3.49Å; T156-N158 PolarHBondContact O-N 3.49Å; T156-A159 WeakPolarHBondContact O-CB 3.47Å; T156-A159 PolarHBondContact O-N 3Å; T156-K162 PolarHBondContact OG1-NZ 3.04Å | ||
| 157 | S | 59.2 | Low | 76.8 | Confident | 121 Ų | 121 | 83.9 Ų | 83.9 | 85% | 0.846 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -21.4 | -179.3 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | A159 | S157-A159 PolarHBondContact O-N 3.23Š|
| 158 | N | 73.6 | Confident | 77.3 | Confident | 92 Ų | 92 | 84.5 Ų | 84.5 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 15.8 | 179 | -66.5 | -16.9 | 0 | 0 | 0 | 114.8 | T156 L160 L161 K162 | T156-N158 PolarHBondContact O-N 3.49Å; N158-L160 VanDerWaalsContact C-N 3.34Å; N158-L160 PolarHBondContact O-N 3.44Å; N158-L161 PolarHBondContact O-N 2.98Å; N158-K162 WeakPolarHBondContact O-CB 3.21Å; N158-K162 WeakPolarHBondContact O-CG 3.23Å; N158-K162 PolarHBondContact O-N 3.02Å |
| 159 | A | 78.1 | Confident | 77.9 | Confident | 26 Ų | 26 | 87 Ų | 87 | 22% | 0.215 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -60 | -36.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q155 T156 S157 T163 | Q155-A159 HydrophobicContact CG-CB 4.35Å; T156-A159 WeakPolarHBondContact O-CB 3.47Å; T156-A159 PolarHBondContact O-N 3Å; S157-A159 PolarHBondContact O-N 3.23Å; A159-T163 WeakPolarHBondContact O-CB 3.27Å; A159-T163 PolarHBondContact O-N 3.5Å; A159-T163 VanDerWaalsContact O-N 3.11Å; A159-T163 PolarHBondContact O-OG1 3.11Å |
| 160 | L | 81.8 | Confident | 78.5 | Confident | 88 Ų | 88 | 85.7 Ų | 85.7 | 46% | 0.461 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69 | -50.1 | 178.8 | -66.4 | 175.7 | 0 | 0 | 0 | 111.6 | Q78 I83 N158 K162 T163 C164 | Q78-L160 WeakPolarHBondContact O-CD2 3.07Å; I83-L160 HydrophobicContact CD1-CD2 3.87Å; N158-L160 VanDerWaalsContact C-N 3.34Å; N158-L160 PolarHBondContact O-N 3.44Å; L160-K162 VanDerWaalsContact C-N 3.35Å; L160-K162 PolarHBondContact O-N 3.09Å; L160-T163 WeakPolarHBondContact O-CA 3.26Å; L160-T163 WeakPolarHBondContact O-CB 3.48Å; L160-T163 PolarHBondContact O-N 2.9Å; L160-C164 PolarHBondContact O-N 3.44Å; L160-C164 PolarHBondContact O-SG 3.37Å |
| 161 | L | 86 | Confident | 79.4 | Confident | 128 Ų | 128 | 83 Ų | 83 | 67% | 0.67 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.8 | -44.8 | 178.4 | -178.8 | 63.1 | 0 | 0 | 0 | 111.6 | N158 T163 C164 C165 | N158-L161 PolarHBondContact O-N 2.98Å; L161-T163 PolarHBondContact O-N 3.33Å; L161-C164 PolarHBondContact O-N 3.46Å; L161-C165 WeakPolarHBondContact O-CB 3.32Å; L161-C165 PolarHBondContact O-N 2.93Å |
| 162 | K | 87.7 | Confident | 80.8 | Confident | 108 Ų | 108 | 84.5 Ų | 84.5 | 47% | 0.47 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.8 | -36.2 | 174.5 | -72.8 | 175.8 | -178.6 | 175.7 | 0 | 111.8 | T156 N158 L160 K166 | T156-K162 PolarHBondContact OG1-NZ 3.04Å; N158-K162 WeakPolarHBondContact O-CB 3.21Å; N158-K162 WeakPolarHBondContact O-CG 3.23Å; N158-K162 PolarHBondContact O-N 3.02Å; L160-K162 VanDerWaalsContact C-N 3.35Å; L160-K162 PolarHBondContact O-N 3.09Å; K162-K166 VanDerWaalsContact O-CG 3.3Å; K162-K166 WeakPolarHBondContact O-CG 3.38Å; K162-K166 PolarHBondContact O-N 2.78Å |
| 163 | T | 88.8 | Confident | 82.5 | Confident | 5 Ų | 5 | 79.8 Ų | 79.8 | 3% | 0.031 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -73.5 | -42.7 | 178.7 | -57.8 | 0 | 0 | 0 | 0 | 112 | V80 I83 F84 A159 L160 L161 C165 K166 A167 | V80-T163 HydrophobicContact CB-CG2 4.28Å; V80-T163 HydrophobicContact CG1-CG2 3.78Å; V80-T163 HydrophobicContact CG2-CG2 4.39Å; V80-T163 WeakPolarHBondContact CG2-OG1 3.45Å; I83-T163 HydrophobicContact CB-CG2 4.01Å; I83-T163 HydrophobicContact CD1-CG2 3.84Å; I83-T163 HydrophobicContact CG2-CG2 3.95Å; F84-T163 HydrophobicContact CD2-CG2 4.28Å; F84-T163 HydrophobicContact CE2-CG2 3.73Å; F84-T163 HydrophobicContact CZ-CG2 3.92Å; A159-T163 WeakPolarHBondContact O-CB 3.27Å; A159-T163 PolarHBondContact O-N 3.5Å; A159-T163 VanDerWaalsContact O-N 3.11Å; A159-T163 PolarHBondContact O-OG1 3.11Å; L160-T163 WeakPolarHBondContact O-CA 3.26Å; L160-T163 WeakPolarHBondContact O-CB 3.48Å; L160-T163 PolarHBondContact O-N 2.9Å; L161-T163 PolarHBondContact O-N 3.33Å; T163-C165 VanDerWaalsContact C-N 3.3Å; T163-C165 PolarHBondContact O-N 3.48Å; T163-K166 WeakPolarHBondContact O-CB 3.47Å; T163-K166 PolarHBondContact O-N 3.05Å; T163-A167 PolarHBondContact O-N 3.41Å |
| 164 | C | 89.9 | Confident | 84.4 | Confident | 68 Ų | 68 | 74 Ų | 74 | 46% | 0.459 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 173.7 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | L160 L161 A167 G168 | L160-C164 PolarHBondContact O-N 3.44Å; L160-C164 PolarHBondContact O-SG 3.37Å; L161-C164 PolarHBondContact O-N 3.46Å; C164-A167 PolarHBondContact O-N 3.32Å; C164-G168 PolarHBondContact O-N 3.35Å |
| 165 | C | 92.6 | Very high | 86.5 | Confident | 78 Ų | 78 | 69.4 Ų | 69.4 | 53% | 0.527 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 173.4 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | L161 T163 A167 G168 C169 | L161-C165 WeakPolarHBondContact O-CB 3.32Å; L161-C165 PolarHBondContact O-N 2.93Å; T163-C165 VanDerWaalsContact C-N 3.3Å; T163-C165 PolarHBondContact O-N 3.48Å; C165-A167 VanDerWaalsContact C-N 3.32Å; C165-A167 PolarHBondContact O-N 3.25Å; C165-G168 PolarHBondContact O-N 3.25Å; C165-G168 VanDerWaalsContact O-N 3.16Å; C165-C169 PolarHBondContact O-N 2.98Å; C165-C169 PolarHBondContact O-SG 2.92Å |
| 166 | K | 93.3 | Very high | 88.6 | Confident | 88 Ų | 88 | 65.9 Ų | 65.9 | 38% | 0.383 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.2 | -43 | 174 | -72.7 | 171.1 | -176.1 | 178.7 | 0 | 112.7 | F84 K162 T163 C169 V170 | F84-K166 HydrophobicContact CE1-CB 4.28Å; F84-K166 HydrophobicContact CZ-CB 4Å; F84-K166 HydrophobicContact CZ-CD 4.37Å; K162-K166 VanDerWaalsContact O-CG 3.3Å; K162-K166 WeakPolarHBondContact O-CG 3.38Å; K162-K166 PolarHBondContact O-N 2.78Å; T163-K166 WeakPolarHBondContact O-CB 3.47Å; T163-K166 PolarHBondContact O-N 3.05Å; K166-C169 PolarHBondContact O-N 3.13Å; K166-V170 WeakPolarHBondContact O-CG2 3.21Å; K166-V170 PolarHBondContact O-N 3.34Å |
| 167 | A | 94.1 | Very high | 90.4 | Very high | 9 Ų | 9 | 67 Ų | 67 | 7% | 0.074 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | F84 T163 C164 C165 C169 V170 W171 | F84-A167 HydrophobicContact CD1-CB 4.49Å; F84-A167 HydrophobicContact CE1-CB 4.31Å; T163-A167 PolarHBondContact O-N 3.41Å; C164-A167 PolarHBondContact O-N 3.32Å; C165-A167 VanDerWaalsContact C-N 3.32Å; C165-A167 PolarHBondContact O-N 3.25Å; A167-C169 VanDerWaalsContact C-N 3.33Å; A167-C169 PolarHBondContact O-N 2.81Å; A167-V170 WeakPolarHBondContact O-CB 3.21Å; A167-V170 PolarHBondContact O-N 2.95Å; A167-V170 VanDerWaalsContact O-N 3.11Å; A167-W171 VanDerWaalsContact O-CD1 3.3Å; A167-W171 PolarHBondContact O-N 2.92Å; A167-W171 VanDerWaalsContact O-N 3.08Å |
| 168 | G | 95.5 | Very high | 92.2 | Very high | 32 Ų | 32 | 61.3 Ų | 61.3 | 33% | 0.33 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.8 | -42.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | C164 C165 V170 W171 I172 | C164-G168 PolarHBondContact O-N 3.35Å; C165-G168 PolarHBondContact O-N 3.25Å; C165-G168 VanDerWaalsContact O-N 3.16Å; G168-V170 VanDerWaalsContact C-N 3.34Å; G168-V170 PolarHBondContact O-N 3.03Å; G168-W171 WeakPolarHBondContact O-CB 3.44Å; G168-W171 PolarHBondContact O-N 3.05Å; G168-I172 WeakPolarHBondContact O-CG1 3.28Å; G168-I172 PolarHBondContact O-N 2.86Å |
| 169 | C | 96.6 | Very high | 93.3 | Very high | 66 Ų | 66 | 60.2 Ų | 60.2 | 45% | 0.446 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 174.1 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | C165 K166 A167 W171 I172 V173 | C165-C169 PolarHBondContact O-N 2.98Å; C165-C169 PolarHBondContact O-SG 2.92Å; K166-C169 PolarHBondContact O-N 3.13Å; A167-C169 VanDerWaalsContact C-N 3.33Å; A167-C169 PolarHBondContact O-N 2.81Å; C169-W171 VanDerWaalsContact C-N 3.33Å; C169-W171 PolarHBondContact O-N 3.03Å; C169-I172 PolarHBondContact O-N 3.14Å; C169-V173 WeakPolarHBondContact O-CB 3.46Å; C169-V173 VanDerWaalsContact O-CG2 3.27Å; C169-V173 WeakPolarHBondContact O-CG2 3.42Å; C169-V173 PolarHBondContact O-N 3.49Å |
| 170 | V | 97.4 | Very high | 94 | Very high | 11 Ų | 11 | 61.5 Ų | 61.5 | 7% | 0.067 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 175.1 | 166.8 | 0 | 0 | 0 | 0 | 110.5 | F135 V139 K166 A167 G168 I172 V173 S174 | F135-V170 HydrophobicContact CB-CG1 3.85Å; V139-V170 HydrophobicContact CG2-CG2 3.86Å; K166-V170 WeakPolarHBondContact O-CG2 3.21Å; K166-V170 PolarHBondContact O-N 3.34Å; A167-V170 WeakPolarHBondContact O-CB 3.21Å; A167-V170 PolarHBondContact O-N 2.95Å; A167-V170 VanDerWaalsContact O-N 3.11Å; G168-V170 VanDerWaalsContact C-N 3.34Å; G168-V170 PolarHBondContact O-N 3.03Å; V170-I172 PolarHBondContact O-N 3.33Å; V170-V173 PolarHBondContact O-N 3.46Å; V170-S174 WeakPolarHBondContact O-CB 3.27Å; V170-S174 PolarHBondContact O-N 3.36Å; V170-S174 PolarHBondContact O-OG 3.1Å |
| 171 | W | 97.8 | Very high | 94.5 | Very high | 60 Ų | 60 | 58 Ų | 58 | 23% | 0.227 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59 | -47.4 | 176.9 | -84.9 | 81.9 | 0 | 0 | 0 | 112.6 | S87 F90 V132 A167 G168 C169 S174 M175 | S87-W171 PolarHBondContact OG-NE1 3.2Å; F90-W171 HydrophobicContact CB-CH2 4.4Å; F90-W171 HydrophobicContact CB-CZ2 3.89Å; V132-W171 HydrophobicContact CG1-CZ2 4.19Å; V132-W171 HydrophobicContact CG2-CD2 3.81Å; V132-W171 HydrophobicContact CG2-CE3 4.05Å; V132-W171 HydrophobicContact CG2-CG 4.12Å; V132-W171 HydrophobicContact CG2-CZ2 4.41Å; V132-W171 HydrophobicContact CG2-CZ3 4.47Å; A167-W171 VanDerWaalsContact O-CD1 3.3Å; A167-W171 PolarHBondContact O-N 2.92Å; A167-W171 VanDerWaalsContact O-N 3.08Å; G168-W171 WeakPolarHBondContact O-CB 3.44Å; G168-W171 PolarHBondContact O-N 3.05Å; C169-W171 VanDerWaalsContact C-N 3.33Å; C169-W171 PolarHBondContact O-N 3.03Å; W171-S174 PolarHBondContact O-N 3.17Å; W171-M175 HydrophobicContact CB-CE 4.03Å; W171-M175 HydrophobicContact CE3-CE 4.34Å; W171-M175 WeakPolarHBondContact O-CB 3.46Å; W171-M175 VanDerWaalsContact O-CE 3.31Å; W171-M175 WeakPolarHBondContact O-CE 3.43Å; W171-M175 WeakPolarHBondContact O-CG 3.39Å; W171-M175 PolarHBondContact O-N 2.66Å |
| 172 | I | 98 | Very high | 94.9 | Very high | 96 Ų | 96 | 52.9 Ų | 52.9 | 49% | 0.492 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 179 | -66.6 | 166.1 | 0 | 0 | 0 | 110.5 | G168 C169 V170 S174 M175 I176 | G168-I172 WeakPolarHBondContact O-CG1 3.28Å; G168-I172 PolarHBondContact O-N 2.86Å; C169-I172 PolarHBondContact O-N 3.14Å; V170-I172 PolarHBondContact O-N 3.33Å; I172-S174 PolarHBondContact O-N 3.44Å; I172-M175 PolarHBondContact O-N 2.63Å; I172-I176 HydrophobicContact CG2-CD1 3.71Å; I172-I176 HydrophobicContact CG2-CG1 4.38Å; I172-I176 VanDerWaalsContact O-CG1 3.26Å; I172-I176 WeakPolarHBondContact O-CG1 3.28Å; I172-I176 PolarHBondContact O-N 3.3Å |
| 173 | V | 97.8 | Very high | 95.2 | Very high | 62 Ų | 62 | 52 Ų | 52 | 38% | 0.376 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 178.9 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | F135 C169 V170 M175 I176 F177 | F135-V173 HydrophobicContact CD2-CG1 4.25Å; F135-V173 HydrophobicContact CE2-CG1 4.15Å; C169-V173 WeakPolarHBondContact O-CB 3.46Å; C169-V173 VanDerWaalsContact O-CG2 3.27Å; C169-V173 WeakPolarHBondContact O-CG2 3.42Å; C169-V173 PolarHBondContact O-N 3.49Å; V170-V173 PolarHBondContact O-N 3.46Å; V173-M175 VanDerWaalsContact C-N 3.34Å; V173-M175 PolarHBondContact O-N 2.86Å; V173-I176 PolarHBondContact O-N 2.77Å; V173-F177 HydrophobicContact CG1-CD2 3.7Å; V173-F177 HydrophobicContact CG1-CE2 3.57Å; V173-F177 WeakPolarHBondContact O-CD2 3.42Å; V173-F177 PolarHBondContact O-N 3.36Å |
| 174 | S | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 174.7 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | G131 V132 F135 V170 W171 I172 F177 A178 | G131-S174 PolarHBondContact O-OG 3.2Å; V132-S174 WeakPolarHBondContact CA-OG 3.36Å; V132-S174 PolarHBondContact N-OG 3.49Å; F135-S174 VanDerWaalsContact CD2-OG 3.31Å; F135-S174 WeakPolarHBondContact CD2-OG 3.46Å; V170-S174 WeakPolarHBondContact O-CB 3.27Å; V170-S174 PolarHBondContact O-N 3.36Å; V170-S174 PolarHBondContact O-OG 3.1Å; W171-S174 PolarHBondContact O-N 3.17Å; I172-S174 PolarHBondContact O-N 3.44Å; S174-F177 PolarHBondContact O-N 2.9Å; S174-A178 VanDerWaalsContact O-CB 3.26Å; S174-A178 WeakPolarHBondContact O-CB 3.36Å; S174-A178 PolarHBondContact O-N 2.95Å |
| 175 | M | 97.8 | Very high | 95.4 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 178.2 | -76.1 | -175 | -83.1 | 0 | 0 | 111.2 | F124 T128 W171 I172 V173 F177 A178 V179 | F124-M175 HydrophobicContact CE1-CG 4.43Å; F124-M175 HydrophobicContact CE2-CB 4.41Å; F124-M175 WeakPolarHBondContact CE2-O 3.44Å; F124-M175 HydrophobicContact CZ-CB 3.91Å; F124-M175 HydrophobicContact CZ-CG 3.78Å; F124-M175 HydrophobicContact CZ-SD 4.38Å; T128-M175 HydrophobicContact CG2-CG 3.61Å; W171-M175 HydrophobicContact CB-CE 4.03Å; W171-M175 HydrophobicContact CE3-CE 4.34Å; W171-M175 WeakPolarHBondContact O-CB 3.46Å; W171-M175 VanDerWaalsContact O-CE 3.31Å; W171-M175 WeakPolarHBondContact O-CE 3.43Å; W171-M175 WeakPolarHBondContact O-CG 3.39Å; W171-M175 PolarHBondContact O-N 2.66Å; I172-M175 PolarHBondContact O-N 2.63Å; V173-M175 VanDerWaalsContact C-N 3.34Å; V173-M175 PolarHBondContact O-N 2.86Å; M175-F177 PolarHBondContact O-N 3.4Å; M175-A178 CarbonylContact O-C 3.6Å; M175-A178 PolarHBondContact O-N 3.22Å; M175-V179 WeakPolarHBondContact O-CG2 3.29Å; M175-V179 PolarHBondContact O-N 3.03Å |
| 176 | I | 97.9 | Very high | 95.3 | Very high | 104 Ų | 104 | 49.1 Ų | 49.1 | 53% | 0.533 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.6 | -49.3 | 177.4 | -71.6 | 167 | 0 | 0 | 0 | 110.8 | I172 V173 A178 V179 | I172-I176 HydrophobicContact CG2-CD1 3.71Å; I172-I176 HydrophobicContact CG2-CG1 4.38Å; I172-I176 VanDerWaalsContact O-CG1 3.26Å; I172-I176 WeakPolarHBondContact O-CG1 3.28Å; I172-I176 PolarHBondContact O-N 3.3Å; V173-I176 PolarHBondContact O-N 2.77Å; I176-A178 PolarHBondContact O-N 3.28Å; I176-V179 WeakPolarHBondContact O-CB 3.47Å; I176-V179 PolarHBondContact O-N 3.47Å |
| 177 | F | 96.9 | Very high | 95.2 | Very high | 99 Ų | 99 | 46.4 Ų | 46.4 | 43% | 0.434 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.8 | -19 | 178.3 | -72 | -48.3 | 0 | 0 | 0 | 113.7 | F135 V173 S174 M175 P180 V223 F224 | F135-F177 AromaticContact CE2-CD2 3.92Å; F135-F177 HydrophobicContact CE2-CD2 3.92Å; F135-F177 AromaticContact CZ-CD2 3.93Å; F135-F177 HydrophobicContact CZ-CD2 3.93Å; F135-F177 HydrophobicContact CZ-CE2 4.46Å; V173-F177 HydrophobicContact CG1-CD2 3.7Å; V173-F177 HydrophobicContact CG1-CE2 3.57Å; V173-F177 WeakPolarHBondContact O-CD2 3.42Å; V173-F177 PolarHBondContact O-N 3.36Å; S174-F177 PolarHBondContact O-N 2.9Å; M175-F177 PolarHBondContact O-N 3.4Å; F177-P180 WeakPolarHBondContact O-CD 3.3Å; F177-V223 HydrophobicContact CB-CG1 4.32Å; F177-V223 HydrophobicContact CD1-CG1 4.42Å; F177-V223 HydrophobicContact CD2-CG1 4.07Å; F177-V223 HydrophobicContact CE2-CG1 4.47Å; F177-V223 HydrophobicContact CG-CG1 4.04Å; F177-F224 HydrophobicContact CB-CE1 4.41Å; F177-F224 HydrophobicContact CB-CE2 4.08Å; F177-F224 HydrophobicContact CB-CZ 3.55Å |
| 178 | A | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -85.7 | -13.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F124 L127 T128 S174 M175 I176 E181 A182 | F124-A178 HydrophobicContact CD2-CB 3.83Å; F124-A178 HydrophobicContact CE2-CB 3.85Å; L127-A178 HydrophobicContact CB-CB 4.09Å; L127-A178 HydrophobicContact CD2-CB 4.23Å; L127-A178 HydrophobicContact CG-CB 4.16Å; T128-A178 WeakPolarHBondContact OG1-CB 3.49Å; S174-A178 VanDerWaalsContact O-CB 3.26Å; S174-A178 WeakPolarHBondContact O-CB 3.36Å; S174-A178 PolarHBondContact O-N 2.95Å; M175-A178 CarbonylContact O-C 3.6Å; M175-A178 PolarHBondContact O-N 3.22Å; I176-A178 PolarHBondContact O-N 3.28Å; A178-E181 WeakPolarHBondContact O-CB 3.44Å; A178-E181 PolarHBondContact O-N 3.5Å; A178-A182 PolarHBondContact O-N 3.46Å |
| 179 | V | 95.9 | Very high | 94.2 | Very high | 70 Ų | 70 | 49.4 Ų | 49.4 | 42% | 0.424 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56 | -46.2 | 178.8 | 171.8 | 0 | 0 | 0 | 0 | 112.9 | F124 M175 I176 E181 A182 V183 | F124-V179 HydrophobicContact CE2-CG2 4.31Å; M175-V179 WeakPolarHBondContact O-CG2 3.29Å; M175-V179 PolarHBondContact O-N 3.03Å; I176-V179 WeakPolarHBondContact O-CB 3.47Å; I176-V179 PolarHBondContact O-N 3.47Å; V179-E181 VanDerWaalsContact C-N 3.26Å; V179-E181 PolarHBondContact O-N 3.37Å; V179-A182 WeakPolarHBondContact O-CA 3.46Å; V179-A182 VanDerWaalsContact O-CB 3.31Å; V179-A182 WeakPolarHBondContact O-CB 3.41Å; V179-A182 PolarHBondContact O-N 3.09Å; V179-V183 HydrophobicContact CG1-CG2 4Å; V179-V183 WeakPolarHBondContact O-CG2 3.41Å; V179-V183 PolarHBondContact O-N 3.09Å |
| 180 | P | 93.2 | Very high | 93.4 | Very high | 52 Ų | 52 | 47.6 Ų | 47.6 | 34% | 0.338 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -55.8 | -40.5 | -179.8 | -27 | 36.5 | 0 | 0 | 0 | 113.1 | F177 A182 V183 F184 | F177-P180 WeakPolarHBondContact O-CD 3.3Å; P180-A182 VanDerWaalsContact C-N 3.28Å; P180-A182 PolarHBondContact O-N 3.08Å; P180-V183 PolarHBondContact O-N 3.23Å; P180-V183 VanDerWaalsContact O-N 3.14Å; P180-F184 HydrophobicContact CB-CD2 4.21Å; P180-F184 HydrophobicContact CB-CE2 4.02Å; P180-F184 WeakPolarHBondContact O-CD2 3.41Å; P180-F184 WeakPolarHBondContact O-CG 3.36Å; P180-F184 PolarHBondContact O-N 3.43Å |
| 181 | E | 93.3 | Very high | 92.5 | Very high | 15 Ų | 15 | 48.7 Ų | 48.7 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58 | -42.4 | 176 | -169.8 | 85.4 | -174.7 | 0 | 0 | 111.2 | L127 A178 V179 S185 P204 H216 Y290 | L127-E181 HydrophobicContact CB-CG 4.35Å; L127-E181 HydrophobicContact CD2-CB 3.52Å; L127-E181 HydrophobicContact CD2-CG 3.89Å; A178-E181 WeakPolarHBondContact O-CB 3.44Å; A178-E181 PolarHBondContact O-N 3.5Å; V179-E181 VanDerWaalsContact C-N 3.26Å; V179-E181 PolarHBondContact O-N 3.37Å; E181-S185 WeakPolarHBondContact O-CB 3.36Å; E181-S185 PolarHBondContact O-N 3.24Å; E181-S185 PolarHBondContact O-OG 3.29Å; E181-P204 WeakPolarHBondContact OE1-CB 3.4Å; E181-H216 IonicContact OE2-CE1 3.9Å; E181-H216 PolarHBondContact OE2-CE1 2.89Å; E181-H216 IonicContact OE2-NE2 3.74Å; E181-Y290 PolarHBondContact OE1-OH 3.41Å; E181-Y290 PolarHBondContact OE2-OH 3Å |
| 182 | A | 94.3 | Very high | 91.2 | Very high | 20 Ų | 20 | 47.6 Ų | 47.6 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K120 F124 A178 V179 P180 | K120-A182 WeakPolarHBondContact CD-O 3.34Å; K120-A182 VanDerWaalsContact CG-O 3.26Å; K120-A182 WeakPolarHBondContact CG-O 3.41Å; F124-A182 HydrophobicContact CB-CB 3.83Å; F124-A182 HydrophobicContact CD2-CB 4.05Å; F124-A182 HydrophobicContact CG-CB 4.27Å; A178-A182 PolarHBondContact O-N 3.46Å; V179-A182 WeakPolarHBondContact O-CA 3.46Å; V179-A182 VanDerWaalsContact O-CB 3.31Å; V179-A182 WeakPolarHBondContact O-CB 3.41Å; V179-A182 PolarHBondContact O-N 3.09Å; P180-A182 VanDerWaalsContact C-N 3.28Å; P180-A182 PolarHBondContact O-N 3.08Å |
| 183 | V | 93.1 | Very high | 89.7 | Confident | 90 Ų | 90 | 46.4 Ų | 46.4 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.4 | -48.2 | -179.9 | 172.2 | 0 | 0 | 0 | 0 | 110.1 | K120 V179 P180 | K120-V183 PolarHBondContact NZ-O 3.14Å; V179-V183 HydrophobicContact CG1-CG2 4Å; V179-V183 WeakPolarHBondContact O-CG2 3.41Å; V179-V183 PolarHBondContact O-N 3.09Å; P180-V183 PolarHBondContact O-N 3.23Å; P180-V183 VanDerWaalsContact O-N 3.14Å |
| 184 | F | 91.2 | Very high | 88.2 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 25% | 0.254 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -81.3 | -19.1 | -176.1 | -62.8 | -51.3 | 0 | 0 | 0 | 114.8 | P180 D186 P206 L212 H216 | P180-F184 HydrophobicContact CB-CD2 4.21Å; P180-F184 HydrophobicContact CB-CE2 4.02Å; P180-F184 WeakPolarHBondContact O-CD2 3.41Å; P180-F184 WeakPolarHBondContact O-CG 3.36Å; P180-F184 PolarHBondContact O-N 3.43Å; F184-D186 PolarHBondContact O-N 3Å; F184-P206 HydrophobicContact CB-CG 4.33Å; F184-P206 HydrophobicContact CD1-CB 4.12Å; F184-P206 HydrophobicContact CD1-CG 3.99Å; F184-P206 HydrophobicContact CG-CG 4.12Å; F184-L212 HydrophobicContact CE1-CD2 3.94Å; F184-L212 HydrophobicContact CZ-CD1 4.31Å; F184-L212 HydrophobicContact CZ-CD2 4.37Å; F184-H216 AromaticContact CD2-CD2 3.45Å; F184-H216 VanDerWaalsContact CD2-CD2 3.45Å; F184-H216 WeakPolarHBondContact CD2-CD2 3.33Å; F184-H216 AromaticContact CD2-NE2 3.57Å; F184-H216 AromaticContact CE2-CD2 3.72Å |
| 185 | S | 92 | Very high | 86.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -64.5 | 122.4 | 174.2 | -70.5 | 0 | 0 | 0 | 0 | 110.9 | K120 S123 E181 A203 P204 | K120-S185 WeakPolarHBondContact CE-O 3.26Å; K120-S185 WeakPolarHBondContact CG-O 3.47Å; K120-S185 PolarHBondContact NZ-O 3.5Å; S123-S185 WeakPolarHBondContact CB-OG 3.28Å; S123-S185 PolarHBondContact OG-OG 2.8Å; S123-S185 VanDerWaalsContact OG-OG 3.11Å; E181-S185 WeakPolarHBondContact O-CB 3.36Å; E181-S185 PolarHBondContact O-N 3.24Å; E181-S185 PolarHBondContact O-OG 3.29Å; S185-A203 WeakPolarHBondContact CA-O 3.24Å; S185-P204 WeakPolarHBondContact OG-CA 3.35Å | ||
| 186 | D | 91.9 | Very high | 85.8 | Confident | 32 Ų | 32 | 57 Ų | 57 | 17% | 0.171 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 171.6 | 173.9 | -136.1 | -54.7 | 0 | 0 | 0 | 112.7 | R116 C119 K120 F184 Y188 A203 | R116-D186 IonicContact CZ-OD1 3.08Å; R116-D186 IonicContact NE-OD1 3.31Å; R116-D186 PolarHBondContact NE-OD1 3.11Å; R116-D186 IonicContact NE-OD2 2.98Å; R116-D186 IonicContact NH2-OD1 3.33Å; R116-D186 PolarHBondContact NH2-OD1 3.21Å; C119-D186 PolarHBondContact SG-O 3.19Å; K120-D186 IonicContact NZ-OD2 2.78Å; K120-D186 PolarHBondContact NZ-OD2 3.4Å; F184-D186 PolarHBondContact O-N 3Å; D186-Y188 HydrophobicContact CB-CE2 3.93Å; D186-Y188 VanDerWaalsContact O-CD2 3.32Å; D186-Y188 WeakPolarHBondContact O-CD2 3.28Å; D186-Y188 WeakPolarHBondContact O-CE2 3.38Å; D186-A203 PolarHBondContact N-O 3.15Å; D186-A203 VanDerWaalsContact N-O 3.12Å; D186-A203 PolarHBondContact O-N 2.9Å |
| 187 | L | 90 | Very high | 84.9 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 16% | 0.162 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 130.5 | 173.2 | -62.8 | -179.4 | 0 | 0 | 0 | 109.9 | W112 R116 C119 C202 | W112-L187 HydrophobicContact CB-CD2 4.06Å; W112-L187 HydrophobicContact CG-CD2 3.78Å; R116-L187 HydrophobicContact CB-CD1 4.06Å; R116-L187 HydrophobicContact CB-CG 4.33Å; C119-L187 HydrophobicContact CB-CD2 4.13Å; L187-C202 HydrophobicContact CD2-CB 4.19Å |
| 188 | Y | 85.9 | Confident | 84.3 | Confident | 46 Ų | 46 | 55.7 Ų | 55.7 | 18% | 0.18 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.3 | 175.3 | -61.2 | -87.7 | 0 | 0 | 0 | 109.5 | D186 F190 E200 A201 A203 V207 | D186-Y188 HydrophobicContact CB-CE2 3.93Å; D186-Y188 VanDerWaalsContact O-CD2 3.32Å; D186-Y188 WeakPolarHBondContact O-CD2 3.28Å; D186-Y188 WeakPolarHBondContact O-CE2 3.38Å; Y188-F190 VanDerWaalsContact O-CD2 3.28Å; Y188-F190 WeakPolarHBondContact O-CD2 3.21Å; Y188-F190 WeakPolarHBondContact O-CE2 3.2Å; Y188-E200 WeakPolarHBondContact O-CA 3.15Å; Y188-A201 PolarHBondContact N-O 3.19Å; Y188-A201 PolarHBondContact O-N 3.3Å; Y188-A203 HydrophobicContact CD2-CB 3.53Å; Y188-A203 HydrophobicContact CE2-CB 3.75Å; Y188-V207 HydrophobicContact CD1-CB 4.1Å; Y188-V207 HydrophobicContact CD1-CG2 4.35Å; Y188-V207 HydrophobicContact CD2-CG2 3.89Å; Y188-V207 HydrophobicContact CE1-CB 3.78Å; Y188-V207 HydrophobicContact CE1-CG2 4.19Å; Y188-V207 HydrophobicContact CE2-CB 4.21Å; Y188-V207 HydrophobicContact CE2-CG2 3.71Å; Y188-V207 HydrophobicContact CG-CB 4.43Å; Y188-V207 HydrophobicContact CG-CG2 4.19Å; Y188-V207 PolarHBondContact OH-N 2.96Å |
| 189 | S | 83.6 | Confident | 83.6 | Confident | 59 Ų | 59 | 58 Ų | 58 | 41% | 0.413 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.1 | 176.1 | -50.5 | 0 | 0 | 0 | 0 | 109.8 | ||
| 190 | F | 79 | Confident | 83.2 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 12% | 0.118 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 135.3 | 176.4 | -65.1 | -91.9 | 0 | 0 | 0 | 108.7 | V4 L6 Y188 T198 F199 A201 Y297 | V4-F190 HydrophobicContact CG1-CB 4.05Å; V4-F190 HydrophobicContact CG1-CD1 3.96Å; L6-F190 HydrophobicContact CD1-CD1 4.31Å; L6-F190 HydrophobicContact CD1-CE1 4.11Å; L6-F190 HydrophobicContact CD1-CZ 4.41Å; Y188-F190 VanDerWaalsContact O-CD2 3.28Å; Y188-F190 WeakPolarHBondContact O-CD2 3.21Å; Y188-F190 WeakPolarHBondContact O-CE2 3.2Å; F190-T198 CarbonylContact O-C 3.58Å; F190-T198 WeakPolarHBondContact O-CA 3.22Å; F190-F199 HydrophobicContact CB-CD1 4.3Å; F190-F199 HydrophobicContact CB-CD2 4.29Å; F190-F199 HydrophobicContact CB-CE1 3.78Å; F190-F199 HydrophobicContact CB-CE2 3.78Å; F190-F199 HydrophobicContact CB-CZ 3.5Å; F190-F199 HydrophobicContact CD2-CE2 4.29Å; F190-F199 HydrophobicContact CG-CE2 4.27Å; F190-F199 HydrophobicContact CG-CZ 4.27Å; F190-F199 PolarHBondContact N-O 3.44Å; F190-F199 WeakPolarHBondContact O-CD1 3.19Å; F190-F199 PolarHBondContact O-N 3.19Å; F190-A201 HydrophobicContact CD2-CB 3.75Å; F190-A201 HydrophobicContact CE2-CB 3.73Å; F190-Y297 HydrophobicContact CE1-CE2 4.16Å; F190-Y297 VanDerWaalsContact CE1-OH 3.24Å; F190-Y297 WeakPolarHBondContact CE1-OH 3.31Å |
| 191 | T | 77.8 | Confident | 82.9 | Confident | 34 Ų | 34 | 58 Ų | 58 | 21% | 0.209 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.1 | 177.1 | -50.6 | 0 | 0 | 0 | 0 | 109 | Y5 P193 T198 | Y5-T191 PolarHBondContact O-N 3.15Å; T191-P193 WeakPolarHBondContact O-CD 3.33Å; T191-T198 HydrophobicContact CG2-CG2 4.11Å |
| 192 | N | 70.3 | Confident | 82.8 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 20% | 0.203 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 112 | 168.2 | -174.3 | -24.1 | 0 | 0 | 0 | 108.6 | E194 K195 N196 V197 F199 | N192-E194 VanDerWaalsContact C-N 3.27Å; N192-E194 PolarHBondContact O-N 3.47Å; N192-E194 WeakPolarHBondContact OD1-CB 3.47Å; N192-E194 PolarHBondContact OD1-N 3.35Å; N192-K195 PolarHBondContact O-N 3.45Å; N192-N196 WeakPolarHBondContact O-CA 3.26Å; N192-N196 PolarHBondContact O-N 3.39Å; N192-V197 PolarHBondContact N-O 3.47Å; N192-F199 HydrophobicContact CB-CE1 4.41Å |
| 193 | P | 67.1 | Low | 82.4 | Confident | 70 Ų | 70 | 57.4 Ų | 57.4 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -29.1 | -177.4 | -9.3 | 21.5 | 0 | 0 | 0 | 113.2 | Q3 T191 | Q3-P193 WeakPolarHBondContact O-CG 3.46Å; T191-P193 WeakPolarHBondContact O-CD 3.33Å |
| 194 | E | 66.8 | Low | 81.8 | Confident | 109 Ų | 109 | 54.6 Ų | 54.6 | 51% | 0.509 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -37.8 | -176.9 | -67.2 | 174.9 | 176.5 | 0 | 0 | 111.6 | S2 N192 | S2-E194 VanDerWaalsContact CB-OE1 3.27Å; S2-E194 WeakPolarHBondContact CB-OE1 3.47Å; S2-E194 PolarHBondContact OG-OE1 3.49Å; N192-E194 VanDerWaalsContact C-N 3.27Å; N192-E194 PolarHBondContact O-N 3.47Å; N192-E194 WeakPolarHBondContact OD1-CB 3.47Å; N192-E194 PolarHBondContact OD1-N 3.35Å |
| 195 | K | 67.3 | Low | 81.2 | Confident | 98 Ų | 98 | 52.8 Ų | 52.8 | 43% | 0.426 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -10 | -179.5 | -62.6 | -174.7 | 179.8 | -179.2 | 0 | 113.1 | N192 V197 | N192-K195 PolarHBondContact O-N 3.45Å; K195-V197 HydrophobicContact CB-CB 4.29Å; K195-V197 HydrophobicContact CB-CG2 4.07Å; K195-V197 WeakPolarHBondContact O-CG2 3.28Å; K195-V197 PolarHBondContact O-N 2.9Å |
| 196 | N | 77.8 | Confident | 80.5 | Confident | 144 Ų | 144 | 53.1 Ų | 53.1 | 77% | 0.77 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 34.5 | -169.3 | -157.4 | 24.1 | 0 | 0 | 0 | 112.6 | N192 | N192-N196 WeakPolarHBondContact O-CA 3.26Å; N192-N196 PolarHBondContact O-N 3.39Å |
| 197 | V | 78.9 | Confident | 79.6 | Confident | 78 Ų | 78 | 51.8 Ų | 51.8 | 47% | 0.473 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.5 | 179.8 | 175.5 | 0 | 0 | 0 | 0 | 108.8 | N192 K195 | N192-V197 PolarHBondContact N-O 3.47Å; K195-V197 HydrophobicContact CB-CB 4.29Å; K195-V197 HydrophobicContact CB-CG2 4.07Å; K195-V197 WeakPolarHBondContact O-CG2 3.28Å; K195-V197 PolarHBondContact O-N 2.9Å |
| 198 | T | 83.5 | Confident | 78.9 | Confident | 98 Ų | 98 | 55 Ų | 55 | 60% | 0.601 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129.1 | 168.8 | 54.8 | 0 | 0 | 0 | 0 | 109.7 | F190 T191 | F190-T198 CarbonylContact O-C 3.58Å; F190-T198 WeakPolarHBondContact O-CA 3.22Å; T191-T198 HydrophobicContact CG2-CG2 4.11Å |
| 199 | F | 83.7 | Confident | 78.8 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.1 | 174.8 | 65.5 | -86.3 | 0 | 0 | 0 | 110.6 | D110 T111 F190 N192 A201 | D110-F199 WeakPolarHBondContact O-CD2 3.49Å; T111-F199 HydrophobicContact CG2-CB 3.65Å; F190-F199 HydrophobicContact CB-CD1 4.3Å; F190-F199 HydrophobicContact CB-CD2 4.29Å; F190-F199 HydrophobicContact CB-CE1 3.78Å; F190-F199 HydrophobicContact CB-CE2 3.78Å; F190-F199 HydrophobicContact CB-CZ 3.5Å; F190-F199 HydrophobicContact CD2-CE2 4.29Å; F190-F199 HydrophobicContact CG-CE2 4.27Å; F190-F199 HydrophobicContact CG-CZ 4.27Å; F190-F199 PolarHBondContact N-O 3.44Å; F190-F199 WeakPolarHBondContact O-CD1 3.19Å; F190-F199 PolarHBondContact O-N 3.19Å; N192-F199 HydrophobicContact CB-CE1 4.41Å; F199-A201 HydrophobicContact CD2-CB 4.29Å; F199-A201 HydrophobicContact CE2-CB 4.13Å |
| 200 | E | 87.2 | Confident | 78.9 | Confident | 98 Ų | 98 | 59.9 Ų | 59.9 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.2 | 174.2 | -64.7 | -169.9 | 147.7 | 0 | 0 | 110.1 | T111 W112 Y188 | T111-E200 CarbonylContact C-O 3.48Å; T111-E200 WeakPolarHBondContact CA-O 3.21Å; W112-E200 PolarHBondContact N-O 2.95Å; Y188-E200 WeakPolarHBondContact O-CA 3.15Å |
| 201 | A | 86.9 | Confident | 79.3 | Confident | 23 Ų | 23 | 65.2 Ų | 65.2 | 19% | 0.19 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 147.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y188 F190 F199 | Y188-A201 PolarHBondContact N-O 3.19Å; Y188-A201 PolarHBondContact O-N 3.3Å; F190-A201 HydrophobicContact CD2-CB 3.75Å; F190-A201 HydrophobicContact CE2-CB 3.73Å; F199-A201 HydrophobicContact CD2-CB 4.29Å; F199-A201 HydrophobicContact CE2-CB 4.13Å |
| 202 | C | 89.8 | Confident | 79.8 | Confident | 19 Ų | 19 | 66.4 Ų | 66.4 | 13% | 0.128 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 118.1 | 174.2 | 173.3 | 0 | 0 | 0 | 0 | 109.8 | W112 C119 L187 | W112-C202 HydrophobicContact CD2-CB 3.6Å; W112-C202 HydrophobicContact CE3-CB 3.81Å; W112-C202 HydrophobicContact CG-CB 3.98Å; W112-C202 HydrophobicContact CH2-CB 4.48Å; W112-C202 HydrophobicContact CZ2-CB 4.29Å; W112-C202 HydrophobicContact CZ3-CB 4.29Å; C119-C202 WeakPolarHBondContact CA-SG 3.31Å; C119-C202 HydrophobicContact CB-CB 3.71Å; C119-C202 WeakPolarHBondContact CB-SG 3.5Å; C119-C202 VanDerWaalsContact SG-CA 3.57Å; C119-C202 WeakPolarHBondContact SG-CB 3.48Å; C119-C202 CovalentContact SG-SG 2.03Å; C119-C202 PolarHBondContact SG-SG 2.92Å; L187-C202 HydrophobicContact CD2-CB 4.19Å |
| 203 | A | 86.1 | Confident | 80.6 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 4% | 0.041 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | S185 D186 Y188 Y205 V207 | S185-A203 WeakPolarHBondContact CA-O 3.24Å; D186-A203 PolarHBondContact N-O 3.15Å; D186-A203 VanDerWaalsContact N-O 3.12Å; D186-A203 PolarHBondContact O-N 2.9Å; Y188-A203 HydrophobicContact CD2-CB 3.53Å; Y188-A203 HydrophobicContact CE2-CB 3.75Å; A203-Y205 HydrophobicContact CB-CE2 4.47Å; A203-Y205 PolarHBondContact O-N 2.82Å; A203-Y205 VanDerWaalsContact O-N 3.09Å; A203-V207 HydrophobicContact CB-CG2 3.7Å |
| 204 | P | 81.5 | Confident | 81.7 | Confident | 30 Ų | 30 | 63.1 Ų | 63.1 | 20% | 0.195 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -82.6 | 29.4 | -176.7 | 35.1 | -39 | 0 | 0 | 0 | 114.3 | E181 S185 Y290 | E181-P204 WeakPolarHBondContact OE1-CB 3.4Å; S185-P204 WeakPolarHBondContact OG-CA 3.35Å; P204-Y290 HydrophobicContact CG-CE2 3.9Å; P204-Y290 PolarHBondContact O-OH 3.32Å; P204-Y290 VanDerWaalsContact O-OH 3.09Å |
| 205 | Y | 78.3 | Confident | 83 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 8% | 0.078 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -156 | 157.7 | 179.6 | 42 | -100.1 | 0 | 0 | 0 | 110.3 | A203 V207 Q213 Y290 Y297 | A203-Y205 HydrophobicContact CB-CE2 4.47Å; A203-Y205 PolarHBondContact O-N 2.82Å; A203-Y205 VanDerWaalsContact O-N 3.09Å; Y205-V207 HydrophobicContact CD2-CG2 4.07Å; Y205-V207 HydrophobicContact CE2-CG2 4.09Å; Y205-V207 PolarHBondContact O-N 3.26Å; Y205-Q213 VanDerWaalsContact CD2-CD 3.5Å; Y205-Q213 HydrophobicContact CD2-CG 3.83Å; Y205-Q213 HydrophobicContact CE2-CG 4.45Å; Y205-Q213 HydrophobicContact CG-CG 4.28Å; Y205-Y290 AromaticContact CD1-CE2 3.8Å; Y205-Y290 HydrophobicContact CD1-CE2 3.8Å; Y205-Y290 HydrophobicContact CE1-CE2 4.18Å; Y205-Y297 HydrophobicContact CE2-CD2 4.26Å |
| 206 | P | 77.2 | Confident | 84.1 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | trans | -76.3 | 98.3 | -177.2 | 27.9 | -25.9 | 0 | 0 | 0 | 110.1 | F184 S208 E209 L212 Q213 | F184-P206 HydrophobicContact CB-CG 4.33Å; F184-P206 HydrophobicContact CD1-CB 4.12Å; F184-P206 HydrophobicContact CD1-CG 3.99Å; F184-P206 HydrophobicContact CG-CG 4.12Å; P206-S208 PolarHBondContact O-N 2.93Å; P206-E209 PolarHBondContact O-N 3.34Å; P206-L212 HydrophobicContact CB-CD2 3.92Å; P206-L212 HydrophobicContact CB-CG 4.4Å; P206-L212 HydrophobicContact CG-CB 4.09Å; P206-L212 HydrophobicContact CG-CD2 3.57Å; P206-L212 HydrophobicContact CG-CG 3.54Å; P206-Q213 WeakPolarHBondContact O-CB 3.44Å | ||
| 207 | V | 73.9 | Confident | 84.9 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -25.4 | -175.2 | 172.4 | 0 | 0 | 0 | 0 | 112.9 | L6 Y188 A203 Y205 E209 Y297 | L6-V207 HydrophobicContact CD1-CG1 4.28Å; L6-V207 HydrophobicContact CD2-CG1 4.28Å; Y188-V207 HydrophobicContact CD1-CB 4.1Å; Y188-V207 HydrophobicContact CD1-CG2 4.35Å; Y188-V207 HydrophobicContact CD2-CG2 3.89Å; Y188-V207 HydrophobicContact CE1-CB 3.78Å; Y188-V207 HydrophobicContact CE1-CG2 4.19Å; Y188-V207 HydrophobicContact CE2-CB 4.21Å; Y188-V207 HydrophobicContact CE2-CG2 3.71Å; Y188-V207 HydrophobicContact CG-CB 4.43Å; Y188-V207 HydrophobicContact CG-CG2 4.19Å; Y188-V207 PolarHBondContact OH-N 2.96Å; A203-V207 HydrophobicContact CB-CG2 3.7Å; Y205-V207 HydrophobicContact CD2-CG2 4.07Å; Y205-V207 HydrophobicContact CE2-CG2 4.09Å; Y205-V207 PolarHBondContact O-N 3.26Å; V207-E209 VanDerWaalsContact C-N 3.33Å; V207-E209 PolarHBondContact O-N 3.06Å; V207-Y297 HydrophobicContact CG1-CD1 4.42Å; V207-Y297 HydrophobicContact CG1-CE1 3.42Å; V207-Y297 VanDerWaalsContact CG1-CE1 3.42Å; V207-Y297 HydrophobicContact CG1-CE2 4.43Å; V207-Y297 VanDerWaalsContact CG1-CZ 3.42Å; V207-Y297 WeakPolarHBondContact CG1-OH 3.34Å |
| 208 | S | 74.6 | Confident | 85.6 | Confident | 98 Ų | 98 | 49.2 Ų | 49.2 | 69% | 0.685 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -21.7 | -175.7 | 54.6 | 0 | 0 | 0 | 0 | 114.4 | P206 | P206-S208 PolarHBondContact O-N 2.93Š|
| 209 | E | 83.1 | Confident | 86.2 | Confident | 113 Ų | 113 | 48.4 Ų | 48.4 | 53% | 0.528 | 26% | 0.264 | S | S | . | . | trans | -129.4 | 99.2 | -172.2 | -71.5 | -173.5 | -162.3 | 0 | 0 | 110.7 | P206 V207 I211 L212 Q213 | P206-E209 PolarHBondContact O-N 3.34Å; V207-E209 VanDerWaalsContact C-N 3.33Å; V207-E209 PolarHBondContact O-N 3.06Å; E209-I211 VanDerWaalsContact C-N 3.33Å; E209-I211 PolarHBondContact O-N 3.28Å; E209-L212 HydrophobicContact CB-CB 3.74Å; E209-L212 HydrophobicContact CB-CD2 4.46Å; E209-L212 PolarHBondContact O-N 3.37Å; E209-L212 VanDerWaalsContact O-N 3.08Å; E209-Q213 WeakPolarHBondContact O-CB 3.29Å; E209-Q213 PolarHBondContact O-N 3.35Å | ||
| 210 | K | 85.4 | Confident | 86.7 | Confident | 94 Ų | 94 | 46.5 Ų | 46.5 | 41% | 0.409 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -49.2 | -49.6 | -178.4 | -178.2 | 178.8 | 175.4 | -178.3 | 0 | 113.4 | L212 Q213 E214 H298 | K210-L212 VanDerWaalsContact C-N 3.34Å; K210-L212 PolarHBondContact O-N 3.32Å; K210-Q213 PolarHBondContact O-N 3.22Å; K210-E214 WeakPolarHBondContact CE-OE1 3.47Å; K210-E214 IonicContact NZ-OE1 2.82Å; K210-E214 WeakPolarHBondContact O-CG 3.24Å; K210-E214 PolarHBondContact O-N 3.24Å; K210-H298 HydrophobicContact CD-CB 4.39Å |
| 211 | I | 87.4 | Confident | 87.2 | Confident | 140 Ų | 140 | 43.4 Ų | 43.4 | 72% | 0.718 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -63.5 | -42.7 | -177.6 | -61.8 | 175.1 | 0 | 0 | 0 | 110.6 | E209 A215 | E209-I211 VanDerWaalsContact C-N 3.33Å; E209-I211 PolarHBondContact O-N 3.28Å; I211-A215 WeakPolarHBondContact O-CB 3.45Å; I211-A215 PolarHBondContact O-N 3Å |
| 212 | L | 88.4 | Confident | 87.7 | Confident | 58 Ų | 58 | 45.4 Ų | 45.4 | 30% | 0.304 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.4 | -40 | 179.8 | -174.1 | 63.2 | 0 | 0 | 0 | 111.4 | F184 P206 E209 K210 H216 | F184-L212 HydrophobicContact CE1-CD2 3.94Å; F184-L212 HydrophobicContact CZ-CD1 4.31Å; F184-L212 HydrophobicContact CZ-CD2 4.37Å; P206-L212 HydrophobicContact CB-CD2 3.92Å; P206-L212 HydrophobicContact CB-CG 4.4Å; P206-L212 HydrophobicContact CG-CB 4.09Å; P206-L212 HydrophobicContact CG-CD2 3.57Å; P206-L212 HydrophobicContact CG-CG 3.54Å; E209-L212 HydrophobicContact CB-CB 3.74Å; E209-L212 HydrophobicContact CB-CD2 4.46Å; E209-L212 PolarHBondContact O-N 3.37Å; E209-L212 VanDerWaalsContact O-N 3.08Å; K210-L212 VanDerWaalsContact C-N 3.34Å; K210-L212 PolarHBondContact O-N 3.32Å; L212-H216 WeakPolarHBondContact O-CB 3.48Å; L212-H216 PolarHBondContact O-N 3.45Å |
| 213 | Q | 87.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 174.8 | 165 | 171.8 | -21.3 | 0 | 0 | 112.6 | Y205 P206 E209 K210 S217 S294 | Y205-Q213 VanDerWaalsContact CD2-CD 3.5Å; Y205-Q213 HydrophobicContact CD2-CG 3.83Å; Y205-Q213 HydrophobicContact CE2-CG 4.45Å; Y205-Q213 HydrophobicContact CG-CG 4.28Å; P206-Q213 WeakPolarHBondContact O-CB 3.44Å; E209-Q213 WeakPolarHBondContact O-CB 3.29Å; E209-Q213 PolarHBondContact O-N 3.35Å; K210-Q213 PolarHBondContact O-N 3.22Å; Q213-S217 PolarHBondContact O-N 2.85Å; Q213-S217 VanDerWaalsContact O-N 3.08Å; Q213-S217 PolarHBondContact O-OG 3.02Å; Q213-S294 VanDerWaalsContact CG-OG 3.28Å; Q213-S294 WeakPolarHBondContact CG-OG 3.5Å; Q213-S294 PolarHBondContact NE2-O 2.96Å; Q213-S294 PolarHBondContact O-OG 3.05Å |
| 214 | E | 90.8 | Very high | 88.6 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 19% | 0.187 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.2 | -43 | 179 | -71.2 | 175.7 | 178.7 | 0 | 0 | 111.4 | K210 S217 L218 S294 F295 | K210-E214 WeakPolarHBondContact CE-OE1 3.47Å; K210-E214 IonicContact NZ-OE1 2.82Å; K210-E214 WeakPolarHBondContact O-CG 3.24Å; K210-E214 PolarHBondContact O-N 3.24Å; E214-S217 PolarHBondContact O-N 3.44Å; E214-S217 PolarHBondContact O-OG 3.44Å; E214-S217 VanDerWaalsContact O-OG 3.09Å; E214-L218 VanDerWaalsContact O-CB 3.32Å; E214-L218 WeakPolarHBondContact O-CB 3.27Å; E214-L218 PolarHBondContact O-N 2.98Å; E214-S294 WeakPolarHBondContact CA-OG 3.3Å; E214-F295 HydrophobicContact CB-CE1 4.07Å; E214-F295 HydrophobicContact CB-CE2 4.44Å; E214-F295 HydrophobicContact CB-CZ 4.03Å; E214-F295 HydrophobicContact CG-CD1 3.85Å; E214-F295 HydrophobicContact CG-CD2 4.48Å; E214-F295 HydrophobicContact CG-CE1 3.89Å; E214-F295 HydrophobicContact CG-CG 4.16Å; E214-F295 HydrophobicContact CG-CZ 4.23Å |
| 215 | A | 92.5 | Very high | 89.4 | Confident | 46 Ų | 46 | 45.3 Ų | 45.3 | 38% | 0.38 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I211 L218 V219 | I211-A215 WeakPolarHBondContact O-CB 3.45Å; I211-A215 PolarHBondContact O-N 3Å; A215-L218 PolarHBondContact O-N 3.47Å; A215-V219 WeakPolarHBondContact O-CB 3.29Å; A215-V219 VanDerWaalsContact O-CG2 3.26Å; A215-V219 WeakPolarHBondContact O-CG2 3.4Å; A215-V219 PolarHBondContact O-N 2.95Å |
| 216 | H | 91.9 | Very high | 90.3 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 6% | 0.06 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 178.2 | 180 | -107.4 | 0 | 0 | 0 | 111.5 | E181 F184 L212 L218 V219 C220 Y290 | E181-H216 IonicContact OE2-CE1 3.9Å; E181-H216 PolarHBondContact OE2-CE1 2.89Å; E181-H216 IonicContact OE2-NE2 3.74Å; F184-H216 AromaticContact CD2-CD2 3.45Å; F184-H216 VanDerWaalsContact CD2-CD2 3.45Å; F184-H216 WeakPolarHBondContact CD2-CD2 3.33Å; F184-H216 AromaticContact CD2-NE2 3.57Å; F184-H216 AromaticContact CE2-CD2 3.72Å; L212-H216 WeakPolarHBondContact O-CB 3.48Å; L212-H216 PolarHBondContact O-N 3.45Å; H216-L218 VanDerWaalsContact C-N 3.35Å; H216-L218 PolarHBondContact O-N 3.34Å; H216-V219 PolarHBondContact O-N 3.32Å; H216-C220 PolarHBondContact O-N 2.79Å; H216-C220 PolarHBondContact O-SG 2.95Å; H216-Y290 PolarHBondContact CE1-OH 3.36Å; H216-Y290 PolarHBondContact ND1-OH 3.45Å |
| 217 | S | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66 | -37.7 | -179 | 69.6 | 0 | 0 | 0 | 0 | 113 | Q213 E214 C220 F221 S294 | Q213-S217 PolarHBondContact O-N 2.85Å; Q213-S217 VanDerWaalsContact O-N 3.08Å; Q213-S217 PolarHBondContact O-OG 3.02Å; E214-S217 PolarHBondContact O-N 3.44Å; E214-S217 PolarHBondContact O-OG 3.44Å; E214-S217 VanDerWaalsContact O-OG 3.09Å; S217-C220 PolarHBondContact O-N 2.94Å; S217-F221 PolarHBondContact O-N 3.1Å; S217-S294 WeakPolarHBondContact CB-OG 3.44Å; S217-S294 WeakPolarHBondContact OG-CB 3.42Å; S217-S294 PolarHBondContact OG-OG 2.99Å |
| 218 | L | 95.3 | Very high | 92.4 | Very high | 77 Ų | 77 | 51.9 Ų | 51.9 | 40% | 0.403 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 173.7 | -176.3 | 63.1 | 0 | 0 | 0 | 112 | E214 A215 H216 C220 F221 L222 | E214-L218 VanDerWaalsContact O-CB 3.32Å; E214-L218 WeakPolarHBondContact O-CB 3.27Å; E214-L218 PolarHBondContact O-N 2.98Å; A215-L218 PolarHBondContact O-N 3.47Å; H216-L218 VanDerWaalsContact C-N 3.35Å; H216-L218 PolarHBondContact O-N 3.34Å; L218-C220 PolarHBondContact O-N 3.45Å; L218-F221 PolarHBondContact O-N 3.08Å; L218-L222 HydrophobicContact CD1-CD1 4.49Å; L218-L222 HydrophobicContact CD1-CG 4.45Å; L218-L222 HydrophobicContact CG-CD1 4.17Å; L218-L222 VanDerWaalsContact O-CG 3.31Å; L218-L222 WeakPolarHBondContact O-CG 3.31Å; L218-L222 PolarHBondContact O-N 3.35Å |
| 219 | V | 95.4 | Very high | 93.5 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 50% | 0.497 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 177.2 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | A215 H216 F221 L222 V223 | A215-V219 WeakPolarHBondContact O-CB 3.29Å; A215-V219 VanDerWaalsContact O-CG2 3.26Å; A215-V219 WeakPolarHBondContact O-CG2 3.4Å; A215-V219 PolarHBondContact O-N 2.95Å; H216-V219 PolarHBondContact O-N 3.32Å; V219-F221 VanDerWaalsContact C-N 3.33Å; V219-F221 PolarHBondContact O-N 2.76Å; V219-L222 PolarHBondContact O-N 2.93Å; V219-V223 HydrophobicContact CG1-CG2 4.12Å; V219-V223 WeakPolarHBondContact O-CB 3.38Å; V219-V223 WeakPolarHBondContact O-CG2 3.49Å; V219-V223 PolarHBondContact O-N 2.87Å |
| 220 | C | 94.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 5% | 0.054 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59 | -43.7 | 175.5 | -74.2 | 0 | 0 | 0 | 0 | 111.6 | H216 S217 L218 L222 F224 Y290 | H216-C220 PolarHBondContact O-N 2.79Å; H216-C220 PolarHBondContact O-SG 2.95Å; S217-C220 PolarHBondContact O-N 2.94Å; L218-C220 PolarHBondContact O-N 3.45Å; C220-L222 PolarHBondContact O-N 3.47Å; C220-F224 WeakPolarHBondContact O-CB 3.45Å; C220-F224 WeakPolarHBondContact O-CD2 3.36Å; C220-F224 PolarHBondContact O-N 2.98Å; C220-Y290 HydrophobicContact CB-CE1 4.35Å |
| 221 | F | 96.8 | Very high | 94.9 | Very high | 33 Ų | 33 | 44 Ų | 44 | 15% | 0.145 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -42 | 175.4 | -178.8 | -123.3 | 0 | 0 | 0 | 112.9 | S217 L218 V219 Y225 I226 H287 L291 | S217-F221 PolarHBondContact O-N 3.1Å; L218-F221 PolarHBondContact O-N 3.08Å; V219-F221 VanDerWaalsContact C-N 3.33Å; V219-F221 PolarHBondContact O-N 2.76Å; F221-Y225 HydrophobicContact CD2-CD1 4.08Å; F221-Y225 HydrophobicContact CD2-CG 4.2Å; F221-Y225 AromaticContact CE2-CD1 3.36Å; F221-Y225 HydrophobicContact CE2-CD1 3.36Å; F221-Y225 HydrophobicContact CE2-CE1 4.05Å; F221-Y225 AromaticContact CE2-CG 3.87Å; F221-Y225 HydrophobicContact CE2-CG 3.87Å; F221-Y225 AromaticContact CZ-CD1 3.9Å; F221-Y225 HydrophobicContact CZ-CD1 3.9Å; F221-Y225 HydrophobicContact CZ-CE1 4.4Å; F221-Y225 WeakPolarHBondContact O-CA 3.48Å; F221-Y225 WeakPolarHBondContact O-CB 3.32Å; F221-Y225 PolarHBondContact O-N 3.12Å; F221-Y225 VanDerWaalsContact O-N 3.11Å; F221-I226 HydrophobicContact CD1-CG1 3.91Å; F221-I226 HydrophobicContact CE1-CD1 3.77Å; F221-I226 HydrophobicContact CE1-CG1 3.52Å; F221-I226 HydrophobicContact CE2-CD1 4.37Å; F221-I226 HydrophobicContact CE2-CG1 4.32Å; F221-I226 HydrophobicContact CG-CG1 4.48Å; F221-I226 HydrophobicContact CZ-CD1 3.64Å; F221-I226 HydrophobicContact CZ-CG1 3.77Å; F221-I226 PolarHBondContact O-N 3.49Å; F221-I226 VanDerWaalsContact O-N 3.11Å; F221-H287 HydrophobicContact CD2-CB 3.58Å; F221-H287 AromaticContact CD2-CG 3.83Å; F221-H287 HydrophobicContact CE2-CB 3.76Å; F221-L291 HydrophobicContact CB-CD1 3.97Å; F221-L291 HydrophobicContact CB-CD2 4.28Å; F221-L291 HydrophobicContact CB-CG 4.28Å; F221-L291 HydrophobicContact CD1-CD1 3.63Å; F221-L291 HydrophobicContact CD2-CD1 4.11Å; F221-L291 HydrophobicContact CE1-CD1 4.04Å; F221-L291 HydrophobicContact CE2-CD1 4.47Å; F221-L291 HydrophobicContact CG-CD1 3.64Å; F221-L291 HydrophobicContact CG-CG 4.46Å; F221-L291 HydrophobicContact CZ-CD1 4.42Å |
| 222 | L | 97.6 | Very high | 95.3 | Very high | 66 Ų | 66 | 37.4 Ų | 37.4 | 35% | 0.346 | 21% | 0.213 | S | C | . | . | I | π-helix | trans | -66.9 | -48.8 | 179.4 | -69.4 | 174.1 | 0 | 0 | 0 | 111.8 | L218 V219 C220 I226 I227 | L218-L222 HydrophobicContact CD1-CD1 4.49Å; L218-L222 HydrophobicContact CD1-CG 4.45Å; L218-L222 HydrophobicContact CG-CD1 4.17Å; L218-L222 VanDerWaalsContact O-CG 3.31Å; L218-L222 WeakPolarHBondContact O-CG 3.31Å; L218-L222 PolarHBondContact O-N 3.35Å; V219-L222 PolarHBondContact O-N 2.93Å; C220-L222 PolarHBondContact O-N 3.47Å; L222-I226 HydrophobicContact CD2-CB 4.12Å; L222-I226 HydrophobicContact CD2-CG1 4.3Å; L222-I226 HydrophobicContact CD2-CG2 4.3Å; L222-I226 PolarHBondContact O-N 3.12Å; L222-I227 HydrophobicContact CB-CD1 4.27Å; L222-I227 WeakPolarHBondContact O-CB 3.37Å; L222-I227 WeakPolarHBondContact O-CG1 3.16Å; L222-I227 PolarHBondContact O-N 3.44Å |
| 223 | V | 97.6 | Very high | 95.7 | Very high | 31 Ų | 31 | 38.1 Ų | 38.1 | 19% | 0.188 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -72.2 | -42.5 | -173.8 | 172 | 0 | 0 | 0 | 0 | 112.1 | F135 F177 V219 P228 | F135-V223 HydrophobicContact CZ-CG1 4.07Å; F177-V223 HydrophobicContact CB-CG1 4.32Å; F177-V223 HydrophobicContact CD1-CG1 4.42Å; F177-V223 HydrophobicContact CD2-CG1 4.07Å; F177-V223 HydrophobicContact CE2-CG1 4.47Å; F177-V223 HydrophobicContact CG-CG1 4.04Å; V219-V223 HydrophobicContact CG1-CG2 4.12Å; V219-V223 WeakPolarHBondContact O-CB 3.38Å; V219-V223 WeakPolarHBondContact O-CG2 3.49Å; V219-V223 PolarHBondContact O-N 2.87Å; V223-P228 WeakPolarHBondContact O-CD 3.28Å; V223-P228 WeakPolarHBondContact O-CG 3.47Å |
| 224 | F | 97.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -95.9 | -6.3 | -173.8 | -67.2 | -86.4 | 0 | 0 | 0 | 113.9 | L127 V130 F135 F177 C220 | L127-F224 HydrophobicContact CD1-CD1 4.03Å; L127-F224 HydrophobicContact CD1-CD2 3.72Å; L127-F224 HydrophobicContact CD1-CE1 4.1Å; L127-F224 HydrophobicContact CD1-CE2 3.81Å; L127-F224 HydrophobicContact CD1-CG 3.83Å; L127-F224 HydrophobicContact CD1-CZ 3.99Å; L127-F224 HydrophobicContact CD2-CD2 4.4Å; L127-F224 HydrophobicContact CD2-CE2 3.74Å; L127-F224 HydrophobicContact CD2-CZ 3.92Å; L127-F224 HydrophobicContact CG-CD1 4.43Å; L127-F224 HydrophobicContact CG-CD2 4.25Å; L127-F224 HydrophobicContact CG-CE1 3.99Å; L127-F224 HydrophobicContact CG-CE2 3.8Å; L127-F224 HydrophobicContact CG-CZ 3.64Å; V130-F224 HydrophobicContact CB-CD1 4.47Å; V130-F224 HydrophobicContact CG1-CB 3.99Å; V130-F224 HydrophobicContact CG1-CD1 4.23Å; V130-F224 HydrophobicContact CG1-CG 4.5Å; F135-F224 HydrophobicContact CE2-CE1 4.3Å; F135-F224 HydrophobicContact CZ-CD1 4.31Å; F135-F224 HydrophobicContact CZ-CE1 4.26Å; F177-F224 HydrophobicContact CB-CE1 4.41Å; F177-F224 HydrophobicContact CB-CE2 4.08Å; F177-F224 HydrophobicContact CB-CZ 3.55Å; C220-F224 WeakPolarHBondContact O-CB 3.45Å; C220-F224 WeakPolarHBondContact O-CD2 3.36Å; C220-F224 PolarHBondContact O-N 2.98Å |
| 225 | Y | 97.4 | Very high | 96.3 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 7% | 0.071 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -133.3 | -67.1 | -178.6 | -165.6 | -95.8 | 0 | 0 | 0 | 113.1 | F221 L229 F279 A280 W283 L284 H287 | F221-Y225 HydrophobicContact CD2-CD1 4.08Å; F221-Y225 HydrophobicContact CD2-CG 4.2Å; F221-Y225 AromaticContact CE2-CD1 3.36Å; F221-Y225 HydrophobicContact CE2-CD1 3.36Å; F221-Y225 HydrophobicContact CE2-CE1 4.05Å; F221-Y225 AromaticContact CE2-CG 3.87Å; F221-Y225 HydrophobicContact CE2-CG 3.87Å; F221-Y225 AromaticContact CZ-CD1 3.9Å; F221-Y225 HydrophobicContact CZ-CD1 3.9Å; F221-Y225 HydrophobicContact CZ-CE1 4.4Å; F221-Y225 WeakPolarHBondContact O-CA 3.48Å; F221-Y225 WeakPolarHBondContact O-CB 3.32Å; F221-Y225 PolarHBondContact O-N 3.12Å; F221-Y225 VanDerWaalsContact O-N 3.11Å; Y225-L229 HydrophobicContact CD1-CD1 3.94Å; Y225-L229 HydrophobicContact CD2-CD1 4.09Å; Y225-L229 HydrophobicContact CE1-CD1 3.61Å; Y225-L229 HydrophobicContact CE2-CD1 3.79Å; Y225-L229 HydrophobicContact CG-CD1 4.14Å; Y225-L229 VanDerWaalsContact CZ-CD1 3.49Å; Y225-L229 WeakPolarHBondContact O-CB 3.1Å; Y225-L229 WeakPolarHBondContact O-CD1 3.29Å; Y225-L229 WeakPolarHBondContact O-CG 3.24Å; Y225-L229 PolarHBondContact O-N 3.33Å; Y225-F279 HydrophobicContact CD2-CE1 4.22Å; Y225-A280 PolarHBondContact OH-O 2.71Å; Y225-W283 HydrophobicContact CD2-CB 4.4Å; Y225-W283 HydrophobicContact CE2-CB 4.31Å; Y225-L284 HydrophobicContact CE1-CD1 3.8Å; Y225-L284 HydrophobicContact CE2-CB 4.28Å; Y225-L284 WeakPolarHBondContact OH-CB 3.38Å; Y225-H287 AromaticContact CD2-CD2 3.46Å; Y225-H287 VanDerWaalsContact CD2-CD2 3.46Å; Y225-H287 WeakPolarHBondContact CD2-CD2 3.15Å; Y225-H287 AromaticContact CD2-NE2 3.93Å; Y225-H287 AromaticContact CG-CD2 3.84Å |
| 226 | I | 98.2 | Very high | 96.4 | Very high | 71 Ų | 71 | 41.1 Ų | 41.1 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -68.5 | -52.9 | -168.8 | -62.2 | -66 | 0 | 0 | 0 | 113.2 | F221 L222 L229 A230 | F221-I226 HydrophobicContact CD1-CG1 3.91Å; F221-I226 HydrophobicContact CE1-CD1 3.77Å; F221-I226 HydrophobicContact CE1-CG1 3.52Å; F221-I226 HydrophobicContact CE2-CD1 4.37Å; F221-I226 HydrophobicContact CE2-CG1 4.32Å; F221-I226 HydrophobicContact CG-CG1 4.48Å; F221-I226 HydrophobicContact CZ-CD1 3.64Å; F221-I226 HydrophobicContact CZ-CG1 3.77Å; F221-I226 PolarHBondContact O-N 3.49Å; F221-I226 VanDerWaalsContact O-N 3.11Å; L222-I226 HydrophobicContact CD2-CB 4.12Å; L222-I226 HydrophobicContact CD2-CG1 4.3Å; L222-I226 HydrophobicContact CD2-CG2 4.3Å; L222-I226 PolarHBondContact O-N 3.12Å; I226-L229 PolarHBondContact O-N 3.09Å; I226-A230 WeakPolarHBondContact O-CB 3.45Å; I226-A230 PolarHBondContact O-N 2.89Å |
| 227 | I | 98.2 | Very high | 96.5 | Very high | 94 Ų | 94 | 46.9 Ų | 46.9 | 48% | 0.482 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.6 | -49.5 | -175.8 | -66.4 | 167.7 | 0 | 0 | 0 | 110.9 | L222 L229 A230 V231 | L222-I227 HydrophobicContact CB-CD1 4.27Å; L222-I227 WeakPolarHBondContact O-CB 3.37Å; L222-I227 WeakPolarHBondContact O-CG1 3.16Å; L222-I227 PolarHBondContact O-N 3.44Å; I227-L229 PolarHBondContact O-N 3.49Å; I227-A230 PolarHBondContact O-N 2.97Å; I227-V231 HydrophobicContact CG2-CG2 4.5Å; I227-V231 WeakPolarHBondContact O-CG2 3.28Å; I227-V231 PolarHBondContact O-N 3.41Å |
| 228 | P | 97.9 | Very high | 96.5 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 177.2 | -26.3 | 36.5 | 0 | 0 | 0 | 113.2 | V134 F135 V223 A230 V231 I232 | V134-P228 HydrophobicContact CB-CB 4.36Å; V134-P228 HydrophobicContact CG1-CB 4.18Å; V134-P228 HydrophobicContact CG1-CG 3.94Å; V134-P228 HydrophobicContact CG2-CB 3.37Å; V134-P228 HydrophobicContact CG2-CG 3.97Å; F135-P228 HydrophobicContact CD1-CG 4.21Å; F135-P228 HydrophobicContact CE1-CG 3.88Å; V223-P228 WeakPolarHBondContact O-CD 3.28Å; V223-P228 WeakPolarHBondContact O-CG 3.47Å; P228-A230 VanDerWaalsContact C-N 3.33Å; P228-A230 PolarHBondContact O-N 3.42Å; P228-V231 PolarHBondContact O-N 3.42Å; P228-I232 WeakPolarHBondContact O-CB 3.37Å; P228-I232 WeakPolarHBondContact O-CD1 3.37Å; P228-I232 WeakPolarHBondContact O-CG1 3.39Å; P228-I232 PolarHBondContact O-N 3.4Å |
| 229 | L | 97.8 | Very high | 96.3 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 13% | 0.131 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.1 | -36.6 | 179.1 | -71.7 | 176.2 | 0 | 0 | 0 | 112.3 | Y225 I226 I227 S233 V276 F279 A280 | Y225-L229 HydrophobicContact CD1-CD1 3.94Å; Y225-L229 HydrophobicContact CD2-CD1 4.09Å; Y225-L229 HydrophobicContact CE1-CD1 3.61Å; Y225-L229 HydrophobicContact CE2-CD1 3.79Å; Y225-L229 HydrophobicContact CG-CD1 4.14Å; Y225-L229 VanDerWaalsContact CZ-CD1 3.49Å; Y225-L229 WeakPolarHBondContact O-CB 3.1Å; Y225-L229 WeakPolarHBondContact O-CD1 3.29Å; Y225-L229 WeakPolarHBondContact O-CG 3.24Å; Y225-L229 PolarHBondContact O-N 3.33Å; I226-L229 PolarHBondContact O-N 3.09Å; I227-L229 PolarHBondContact O-N 3.49Å; L229-S233 VanDerWaalsContact O-CB 3.27Å; L229-S233 WeakPolarHBondContact O-CB 3.47Å; L229-S233 PolarHBondContact O-N 3.33Å; L229-S233 PolarHBondContact O-OG 3.48Å; L229-V276 HydrophobicContact CD2-CG1 3.8Å; L229-F279 HydrophobicContact CD2-CD1 4.47Å; L229-A280 HydrophobicContact CD1-CB 3.93Å; L229-A280 HydrophobicContact CD2-CB 4.07Å |
| 230 | A | 98.1 | Very high | 96 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 48% | 0.479 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | I226 I227 P228 S233 A234 | I226-A230 WeakPolarHBondContact O-CB 3.45Å; I226-A230 PolarHBondContact O-N 2.89Å; I227-A230 PolarHBondContact O-N 2.97Å; P228-A230 VanDerWaalsContact C-N 3.33Å; P228-A230 PolarHBondContact O-N 3.42Å; A230-S233 PolarHBondContact O-N 3.18Å; A230-A234 PolarHBondContact O-N 2.93Å |
| 231 | V | 97.9 | Very high | 95.8 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 33% | 0.333 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 176.6 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | T138 I227 P228 S233 A234 Y235 | T138-V231 HydrophobicContact CG2-CB 4.37Å; T138-V231 HydrophobicContact CG2-CG1 3.74Å; I227-V231 HydrophobicContact CG2-CG2 4.5Å; I227-V231 WeakPolarHBondContact O-CG2 3.28Å; I227-V231 PolarHBondContact O-N 3.41Å; P228-V231 PolarHBondContact O-N 3.42Å; V231-S233 PolarHBondContact O-N 3.09Å; V231-A234 PolarHBondContact O-N 2.91Å; V231-Y235 HydrophobicContact CG1-CD2 3.92Å; V231-Y235 HydrophobicContact CG1-CE2 3.47Å; V231-Y235 VanDerWaalsContact CG1-CE2 3.47Å; V231-Y235 VanDerWaalsContact O-CD2 3.24Å; V231-Y235 WeakPolarHBondContact O-CD2 3.42Å; V231-Y235 PolarHBondContact O-N 2.92Å; V231-Y235 VanDerWaalsContact O-N 3.08Å |
| 232 | I | 96.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 176.3 | -69.7 | 160.8 | 0 | 0 | 0 | 110.5 | L137 T138 S141 P228 A234 Y235 Y236 V276 | L137-I232 HydrophobicContact CB-CD1 4.27Å; T138-I232 HydrophobicContact CG2-CG1 4.43Å; S141-I232 WeakPolarHBondContact OG-CG2 3.32Å; P228-I232 WeakPolarHBondContact O-CB 3.37Å; P228-I232 WeakPolarHBondContact O-CD1 3.37Å; P228-I232 WeakPolarHBondContact O-CG1 3.39Å; P228-I232 PolarHBondContact O-N 3.4Å; I232-A234 VanDerWaalsContact C-N 3.3Å; I232-A234 PolarHBondContact O-N 2.95Å; I232-Y235 PolarHBondContact O-N 3.01Å; I232-Y235 VanDerWaalsContact O-N 3.15Å; I232-Y236 HydrophobicContact CG2-CD2 3.64Å; I232-Y236 HydrophobicContact CG2-CE2 3.69Å; I232-Y236 VanDerWaalsContact O-CD2 3.31Å; I232-Y236 WeakPolarHBondContact O-CD2 3.43Å; I232-Y236 PolarHBondContact O-N 3.01Å; I232-V276 HydrophobicContact CD1-CG1 4.28Å; I232-V276 HydrophobicContact CD1-CG2 4.11Å; I232-V276 HydrophobicContact CG2-CB 4.35Å; I232-V276 HydrophobicContact CG2-CG1 3.75Å; I232-V276 HydrophobicContact CG2-CG2 3.85Å |
| 233 | S | 96.3 | Very high | 94.8 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 52% | 0.517 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 178.7 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | L229 A230 V231 Y236 F237 | L229-S233 VanDerWaalsContact O-CB 3.27Å; L229-S233 WeakPolarHBondContact O-CB 3.47Å; L229-S233 PolarHBondContact O-N 3.33Å; L229-S233 PolarHBondContact O-OG 3.48Å; A230-S233 PolarHBondContact O-N 3.18Å; V231-S233 PolarHBondContact O-N 3.09Å; S233-Y236 PolarHBondContact O-N 3.29Å; S233-F237 WeakPolarHBondContact O-CB 3.21Å; S233-F237 PolarHBondContact O-N 3.03Å |
| 234 | A | 97 | Very high | 94.2 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 44% | 0.438 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | A230 V231 I232 Y236 F237 L238 | A230-A234 PolarHBondContact O-N 2.93Å; V231-A234 PolarHBondContact O-N 2.91Å; I232-A234 VanDerWaalsContact C-N 3.3Å; I232-A234 PolarHBondContact O-N 2.95Å; A234-Y236 VanDerWaalsContact C-N 3.35Å; A234-Y236 PolarHBondContact O-N 3.47Å; A234-F237 PolarHBondContact O-N 3.26Å; A234-L238 VanDerWaalsContact O-CG 3.28Å; A234-L238 WeakPolarHBondContact O-CG 3.15Å; A234-L238 PolarHBondContact O-N 3.45Å |
| 235 | Y | 95.6 | Very high | 93.5 | Very high | 66 Ų | 66 | 66.4 Ų | 66.4 | 26% | 0.259 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59 | -45.1 | 175.5 | -75.9 | -57.1 | 0 | 0 | 0 | 112.2 | A142 Y145 V231 I232 L238 I239 | A142-Y235 HydrophobicContact CB-CD2 4.27Å; A142-Y235 HydrophobicContact CB-CE1 4.08Å; A142-Y235 HydrophobicContact CB-CE2 3.65Å; Y145-Y235 AromaticContact CD1-CD1 3.97Å; Y145-Y235 HydrophobicContact CD1-CD1 3.97Å; Y145-Y235 HydrophobicContact CD1-CE1 4.08Å; Y145-Y235 HydrophobicContact CD2-CD1 4.37Å; Y145-Y235 AromaticContact CG-CD1 3.76Å; Y145-Y235 HydrophobicContact CG-CD1 3.76Å; Y145-Y235 HydrophobicContact CG-CE1 4.35Å; V231-Y235 HydrophobicContact CG1-CD2 3.92Å; V231-Y235 HydrophobicContact CG1-CE2 3.47Å; V231-Y235 VanDerWaalsContact CG1-CE2 3.47Å; V231-Y235 VanDerWaalsContact O-CD2 3.24Å; V231-Y235 WeakPolarHBondContact O-CD2 3.42Å; V231-Y235 PolarHBondContact O-N 2.92Å; V231-Y235 VanDerWaalsContact O-N 3.08Å; I232-Y235 PolarHBondContact O-N 3.01Å; I232-Y235 VanDerWaalsContact O-N 3.15Å; Y235-L238 PolarHBondContact O-N 2.97Å; Y235-I239 VanDerWaalsContact O-CG1 3.26Å; Y235-I239 WeakPolarHBondContact O-CG1 3.33Å; Y235-I239 PolarHBondContact O-N 3.25Å |
| 236 | Y | 93.4 | Very high | 92.5 | Very high | 30 Ų | 30 | 67.5 Ų | 67.5 | 12% | 0.118 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.4 | -36.7 | 179.6 | -84.2 | -74.9 | 0 | 0 | 0 | 113.4 | S141 I232 S233 A234 L238 I239 A240 A269 V272 L273 | S141-Y236 WeakPolarHBondContact OG-CE2 3.18Å; I232-Y236 HydrophobicContact CG2-CD2 3.64Å; I232-Y236 HydrophobicContact CG2-CE2 3.69Å; I232-Y236 VanDerWaalsContact O-CD2 3.31Å; I232-Y236 WeakPolarHBondContact O-CD2 3.43Å; I232-Y236 PolarHBondContact O-N 3.01Å; S233-Y236 PolarHBondContact O-N 3.29Å; A234-Y236 VanDerWaalsContact C-N 3.35Å; A234-Y236 PolarHBondContact O-N 3.47Å; Y236-L238 VanDerWaalsContact C-N 3.35Å; Y236-I239 HydrophobicContact CD1-CD1 4.24Å; Y236-I239 HydrophobicContact CE1-CD1 4.43Å; Y236-I239 PolarHBondContact O-N 3.32Å; Y236-A240 WeakPolarHBondContact O-CB 3.03Å; Y236-A240 PolarHBondContact O-N 3.47Å; Y236-A269 HydrophobicContact CE1-CB 4.34Å; Y236-A269 WeakPolarHBondContact CE1-O 3.47Å; Y236-A269 PolarHBondContact OH-O 3.16Å; Y236-V272 WeakPolarHBondContact OH-CB 3.41Å; Y236-V272 WeakPolarHBondContact OH-CG1 3.44Å; Y236-L273 HydrophobicContact CD1-CB 4.49Å; Y236-L273 HydrophobicContact CD1-CD1 4.2Å; Y236-L273 HydrophobicContact CD2-CD1 4.04Å; Y236-L273 HydrophobicContact CE1-CB 3.82Å; Y236-L273 HydrophobicContact CE1-CD1 4.26Å; Y236-L273 HydrophobicContact CE1-CG 4.46Å; Y236-L273 HydrophobicContact CE2-CB 4.44Å; Y236-L273 HydrophobicContact CE2-CD1 4.11Å; Y236-L273 HydrophobicContact CG-CD1 4.09Å; Y236-L273 PolarHBondContact OH-N 3.23Å |
| 237 | F | 93.5 | Very high | 91.3 | Very high | 134 Ų | 134 | 69.4 Ų | 69.4 | 59% | 0.588 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.8 | -46.1 | 172 | 175.4 | -102.7 | 0 | 0 | 0 | 111.3 | S233 A234 I239 A240 R241 | S233-F237 WeakPolarHBondContact O-CB 3.21Å; S233-F237 PolarHBondContact O-N 3.03Å; A234-F237 PolarHBondContact O-N 3.26Å; F237-I239 PolarHBondContact O-N 2.87Å; F237-A240 PolarHBondContact O-N 3.4Å; F237-R241 WeakPolarHBondContact O-CB 3.02Å; F237-R241 PolarHBondContact O-N 3.31Å |
| 238 | L | 93.3 | Very high | 89.7 | Confident | 63 Ų | 63 | 72.9 Ų | 72.9 | 33% | 0.33 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.5 | -38 | 177.5 | -65.6 | 173.5 | 0 | 0 | 0 | 112.7 | Y145 A234 Y235 Y236 T242 | Y145-L238 HydrophobicContact CD2-CB 3.99Å; Y145-L238 HydrophobicContact CE2-CB 3.63Å; Y145-L238 HydrophobicContact CE2-CD1 4.04Å; Y145-L238 HydrophobicContact CE2-CG 4.48Å; A234-L238 VanDerWaalsContact O-CG 3.28Å; A234-L238 WeakPolarHBondContact O-CG 3.15Å; A234-L238 PolarHBondContact O-N 3.45Å; Y235-L238 PolarHBondContact O-N 2.97Å; Y236-L238 VanDerWaalsContact C-N 3.35Å; L238-T242 WeakPolarHBondContact O-CB 3.28Å; L238-T242 PolarHBondContact O-N 3.37Å; L238-T242 PolarHBondContact O-OG1 3.02Å |
| 239 | I | 91.1 | Very high | 88 | Confident | 9 Ų | 9 | 77.4 Ų | 77.4 | 5% | 0.046 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.7 | -51 | 172.4 | -70 | 166.6 | 0 | 0 | 0 | 109.7 | R144 Y145 I148 Y235 Y236 F237 R241 T242 L243 | R144-I239 HydrophobicContact CB-CD1 4.43Å; Y145-I239 HydrophobicContact CD2-CG1 4.01Å; I148-I239 HydrophobicContact CD1-CD1 4.5Å; I148-I239 HydrophobicContact CD1-CG2 3.99Å; I148-I239 HydrophobicContact CG2-CG2 4.26Å; Y235-I239 VanDerWaalsContact O-CG1 3.26Å; Y235-I239 WeakPolarHBondContact O-CG1 3.33Å; Y235-I239 PolarHBondContact O-N 3.25Å; Y236-I239 HydrophobicContact CD1-CD1 4.24Å; Y236-I239 HydrophobicContact CE1-CD1 4.43Å; Y236-I239 PolarHBondContact O-N 3.32Å; F237-I239 PolarHBondContact O-N 2.87Å; I239-R241 PolarHBondContact O-N 2.95Å; I239-T242 PolarHBondContact O-N 2.68Å; I239-L243 HydrophobicContact CG2-CD1 3.72Å; I239-L243 HydrophobicContact CG2-CG 4.32Å; I239-L243 WeakPolarHBondContact O-CB 3.33Å; I239-L243 VanDerWaalsContact O-CG 3.27Å; I239-L243 WeakPolarHBondContact O-CG 3.45Å; I239-L243 PolarHBondContact O-N 2.84Å |
| 240 | A | 89.9 | Confident | 86.1 | Confident | 56 Ų | 56 | 82.3 Ų | 82.3 | 46% | 0.463 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y236 F237 T242 L243 Y244 | Y236-A240 WeakPolarHBondContact O-CB 3.03Å; Y236-A240 PolarHBondContact O-N 3.47Å; F237-A240 PolarHBondContact O-N 3.4Å; A240-T242 PolarHBondContact O-N 2.87Å; A240-L243 PolarHBondContact O-N 3.31Å; A240-Y244 WeakPolarHBondContact O-CB 3.22Å; A240-Y244 PolarHBondContact O-N 3.17Å |
| 241 | R | 90.8 | Very high | 84 | Confident | 169 Ų | 169 | 85.1 Ų | 85.1 | 64% | 0.638 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.5 | -45.4 | 177 | -175.8 | -179.2 | 177 | -172.5 | 0.2 | 112.3 | F237 I239 Y244 K245 | F237-R241 WeakPolarHBondContact O-CB 3.02Å; F237-R241 PolarHBondContact O-N 3.31Å; I239-R241 PolarHBondContact O-N 2.95Å; R241-Y244 PolarHBondContact O-N 2.96Å; R241-K245 WeakPolarHBondContact O-CB 3.39Å; R241-K245 PolarHBondContact O-N 3.11Å |
| 242 | T | 87.1 | Confident | 82 | Confident | 50 Ų | 50 | 87.6 Ų | 87.6 | 31% | 0.307 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 179.9 | -55.4 | 0 | 0 | 0 | 0 | 111 | V149 L238 I239 A240 K245 S246 | V149-T242 HydrophobicContact CB-CG2 4.44Å; V149-T242 HydrophobicContact CG1-CG2 4.18Å; V149-T242 HydrophobicContact CG2-CG2 4.01Å; L238-T242 WeakPolarHBondContact O-CB 3.28Å; L238-T242 PolarHBondContact O-N 3.37Å; L238-T242 PolarHBondContact O-OG1 3.02Å; I239-T242 PolarHBondContact O-N 2.68Å; A240-T242 PolarHBondContact O-N 2.87Å; T242-K245 PolarHBondContact O-N 2.83Å; T242-S246 WeakPolarHBondContact O-CB 3.43Å; T242-S246 PolarHBondContact O-N 3.27Å |
| 243 | L | 85.8 | Confident | 80 | Confident | 36 Ų | 36 | 96.6 Ų | 96.6 | 19% | 0.188 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 178.3 | -71.4 | 175.6 | 0 | 0 | 0 | 112 | I148 I239 A240 S246 T247 I262 K266 | I148-L243 HydrophobicContact CG2-CD1 4.45Å; I148-L243 HydrophobicContact CG2-CD2 3.78Å; I148-L243 HydrophobicContact CG2-CG 4.12Å; I239-L243 HydrophobicContact CG2-CD1 3.72Å; I239-L243 HydrophobicContact CG2-CG 4.32Å; I239-L243 WeakPolarHBondContact O-CB 3.33Å; I239-L243 VanDerWaalsContact O-CG 3.27Å; I239-L243 WeakPolarHBondContact O-CG 3.45Å; I239-L243 PolarHBondContact O-N 2.84Å; A240-L243 PolarHBondContact O-N 3.31Å; L243-S246 PolarHBondContact O-N 3.23Å; L243-T247 PolarHBondContact O-N 3.08Å; L243-T247 PolarHBondContact O-OG1 3.2Å; L243-I262 HydrophobicContact CD2-CG2 4.4Å; L243-K266 HydrophobicContact CD1-CD 4.37Å; L243-K266 HydrophobicContact CD1-CG 4.19Å |
| 244 | Y | 85.2 | Confident | 78 | Confident | 184 Ų | 184 | 100.8 Ų | 100.8 | 72% | 0.722 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -45.6 | 177 | -172.2 | -94.7 | 0 | 0 | 0 | 111.6 | A240 R241 S246 T247 F248 | A240-Y244 WeakPolarHBondContact O-CB 3.22Å; A240-Y244 PolarHBondContact O-N 3.17Å; R241-Y244 PolarHBondContact O-N 2.96Å; Y244-S246 VanDerWaalsContact C-N 3.34Å; Y244-S246 PolarHBondContact O-N 3.38Å; Y244-T247 PolarHBondContact O-N 3.09Å; Y244-F248 PolarHBondContact O-N 3.41Å |
| 245 | K | 82.6 | Confident | 76.1 | Confident | 142 Ų | 142 | 104.1 Ų | 104.1 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.5 | -37 | 176.7 | -169.8 | 177.8 | -179.8 | -175.3 | 0 | 112.3 | R241 T242 F248 N249 | R241-K245 WeakPolarHBondContact O-CB 3.39Å; R241-K245 PolarHBondContact O-N 3.11Å; T242-K245 PolarHBondContact O-N 2.83Å; K245-F248 PolarHBondContact O-N 3.2Å; K245-N249 WeakPolarHBondContact CG-ND2 3.22Å; K245-N249 PolarHBondContact O-N 3.07Å; K245-N249 PolarHBondContact O-ND2 3.21Å |
| 246 | S | 75.9 | Confident | 74.6 | Confident | 41 Ų | 41 | 103.4 Ų | 103.4 | 29% | 0.287 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.8 | -37 | 178.4 | -171.8 | 0 | 0 | 0 | 0 | 112.7 | T242 L243 Y244 F248 M250 | T242-S246 WeakPolarHBondContact O-CB 3.43Å; T242-S246 PolarHBondContact O-N 3.27Å; L243-S246 PolarHBondContact O-N 3.23Å; Y244-S246 VanDerWaalsContact C-N 3.34Å; Y244-S246 PolarHBondContact O-N 3.38Å; S246-F248 VanDerWaalsContact C-N 3.31Å; S246-M250 WeakPolarHBondContact O-CB 3.49Å; S246-M250 PolarHBondContact O-N 2.84Å |
| 247 | T | 72.3 | Confident | 73.3 | Confident | 110 Ų | 110 | 109.9 Ų | 109.9 | 68% | 0.675 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.7 | -32.6 | 176.5 | -54.5 | 0 | 0 | 0 | 0 | 112 | L243 Y244 | L243-T247 PolarHBondContact O-N 3.08Å; L243-T247 PolarHBondContact O-OG1 3.2Å; Y244-T247 PolarHBondContact O-N 3.09Å |
| 248 | F | 64.6 | Low | 72.2 | Confident | 167 Ų | 167 | 105.3 Ų | 105.3 | 73% | 0.732 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -76.8 | -27.2 | 179.4 | -168.2 | -95.4 | 0 | 0 | 0 | 113.6 | Y244 K245 S246 | Y244-F248 PolarHBondContact O-N 3.41Å; K245-F248 PolarHBondContact O-N 3.2Å; S246-F248 VanDerWaalsContact C-N 3.31Å |
| 249 | N | 63.2 | Low | 71.2 | Confident | 101 Ų | 101 | 107.5 Ų | 107.5 | 54% | 0.54 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -108.7 | 8.5 | -171.4 | -66 | -61.2 | 0 | 0 | 0 | 114.8 | K245 | K245-N249 WeakPolarHBondContact CG-ND2 3.22Å; K245-N249 PolarHBondContact O-N 3.07Å; K245-N249 PolarHBondContact O-ND2 3.21Å |
| 250 | M | 57.8 | Low | 70.4 | Confident | 129 Ų | 129 | 113.9 Ų | 113.9 | 64% | 0.635 | 59% | 0.59 | S | S | * | * | trans | -102.6 | 121.2 | -177 | -93.4 | -179.4 | 172 | 0 | 0 | 113.2 | S246 | S246-M250 WeakPolarHBondContact O-CB 3.49Å; S246-M250 PolarHBondContact O-N 2.84Å | ||
| 251 | P | 53.3 | Low | 69.8 | Low | 116 Ų | 116 | 115.8 Ų | 115.8 | 75% | 0.753 | 59% | 0.59 | S | S | * | * | trans | -65.6 | 144.6 | 163.6 | -13.1 | 27.8 | 0 | 0 | 0 | 111 | E253 | P251-E253 VanDerWaalsContact C-N 3.32Å; P251-E253 PolarHBondContact O-N 3.01Å | ||
| 252 | A | 56.8 | Low | 69.2 | Low | 108 Ų | 108 | 110 Ų | 110 | 89% | 0.893 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -4.1 | -164.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 253 | E | 54.9 | Low | 68.8 | Low | 190 Ų | 190 | 112.9 Ų | 112.9 | 89% | 0.888 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | 3.5 | -154.7 | -71.7 | -164.4 | 149.9 | 0 | 0 | 118.3 | P251 | P251-E253 VanDerWaalsContact C-N 3.32Å; P251-E253 PolarHBondContact O-N 3.01Å |
| 254 | E | 54.9 | Low | 68.3 | Low | 163 Ų | 163 | 114.1 Ų | 114.1 | 76% | 0.762 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -140.9 | 136.2 | 175.7 | -142.8 | -179.7 | -166.4 | 0 | 0 | 110.4 | ||
| 255 | H | 56.5 | Low | 68.1 | Low | 122 Ų | 122 | 107.6 Ų | 107.6 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | trans | 100.8 | 47.3 | 170.9 | -49.8 | 78.9 | 0 | 0 | 0 | 119.4 | H257 A258 H259 | H255-H257 PolarHBondContact O-N 2.89Å; H255-H257 VanDerWaalsContact O-N 3.08Å; H255-A258 HydrophobicContact CB-CB 3.77Å; H255-A258 PolarHBondContact O-N 3.26Å; H255-A258 VanDerWaalsContact O-N 3.14Å; H255-H259 WeakPolarHBondContact O-CB 3.21Å; H255-H259 PolarHBondContact O-N 2.91Å | ||
| 256 | G | 64.7 | Low | 68 | Low | 51 Ų | 51 | 104.6 Ų | 104.6 | 53% | 0.526 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -52.7 | -28.4 | 167 | 0 | 0 | 0 | 0 | 0 | 114.9 | K260 | G256-K260 WeakPolarHBondContact O-CD 3.21Å; G256-K260 VanDerWaalsContact O-CG 3.24Å; G256-K260 WeakPolarHBondContact O-CG 3.47Å; G256-K260 PolarHBondContact O-N 3.06Å |
| 257 | H | 65.3 | Low | 68.3 | Low | 166 Ų | 166 | 107.7 Ų | 107.7 | 77% | 0.769 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -76.9 | -42.7 | 175.3 | -73 | -81.3 | 0 | 0 | 0 | 113.5 | H255 K260 Q261 | H255-H257 PolarHBondContact O-N 2.89Å; H255-H257 VanDerWaalsContact O-N 3.08Å; H257-K260 PolarHBondContact O-N 3.23Å; H257-Q261 PolarHBondContact O-N 3.43Å; H257-Q261 VanDerWaalsContact O-N 3.07Å |
| 258 | A | 69.6 | Low | 68.6 | Low | 38 Ų | 38 | 104.6 Ų | 104.6 | 31% | 0.314 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.3 | -37.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | H255 Q261 I262 | H255-A258 HydrophobicContact CB-CB 3.77Å; H255-A258 PolarHBondContact O-N 3.26Å; H255-A258 VanDerWaalsContact O-N 3.14Å; A258-Q261 PolarHBondContact O-N 3.09Å; A258-I262 WeakPolarHBondContact O-CG1 3.27Å; A258-I262 PolarHBondContact O-N 3.32Å |
| 259 | H | 73.6 | Confident | 69.6 | Low | 109 Ų | 109 | 97 Ų | 97 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 175.5 | -169.5 | -89.4 | 0 | 0 | 0 | 112 | H255 Q261 I262 E263 | H255-H259 WeakPolarHBondContact O-CB 3.21Å; H255-H259 PolarHBondContact O-N 2.91Å; H259-Q261 VanDerWaalsContact C-N 3.29Å; H259-Q261 PolarHBondContact O-N 2.97Å; H259-I262 PolarHBondContact O-N 3.03Å; H259-E263 PolarHBondContact O-N 3.26Å |
| 260 | K | 74.9 | Confident | 70.7 | Confident | 143 Ų | 143 | 98.9 Ų | 98.9 | 62% | 0.622 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.7 | -38.7 | 174.3 | -75.4 | 173.8 | -176.8 | 176.4 | 0 | 112.1 | G256 H257 S264 | G256-K260 WeakPolarHBondContact O-CD 3.21Å; G256-K260 VanDerWaalsContact O-CG 3.24Å; G256-K260 WeakPolarHBondContact O-CG 3.47Å; G256-K260 PolarHBondContact O-N 3.06Å; H257-K260 PolarHBondContact O-N 3.23Å; K260-S264 PolarHBondContact O-N 2.93Å; K260-S264 VanDerWaalsContact O-N 3.1Å |
| 261 | Q | 75.3 | Confident | 71.9 | Confident | 96 Ų | 96 | 93.2 Ų | 93.2 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 177 | -163.7 | -178.8 | 30.7 | 0 | 0 | 111.6 | H257 A258 H259 S264 R265 | H257-Q261 PolarHBondContact O-N 3.43Å; H257-Q261 VanDerWaalsContact O-N 3.07Å; A258-Q261 PolarHBondContact O-N 3.09Å; H259-Q261 VanDerWaalsContact C-N 3.29Å; H259-Q261 PolarHBondContact O-N 2.97Å; Q261-S264 PolarHBondContact O-N 3.49Å; Q261-S264 PolarHBondContact O-OG 2.91Å; Q261-R265 WeakPolarHBondContact O-CG 3.09Å; Q261-R265 PolarHBondContact O-N 3.42Å; Q261-R265 VanDerWaalsContact O-N 3.09Å |
| 262 | I | 78.1 | Confident | 73.5 | Confident | 47 Ų | 47 | 87.7 Ų | 87.7 | 24% | 0.241 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 176.4 | -69.8 | 166.5 | 0 | 0 | 0 | 111.2 | L243 A258 H259 S264 R265 K266 | L243-I262 HydrophobicContact CD2-CG2 4.4Å; A258-I262 WeakPolarHBondContact O-CG1 3.27Å; A258-I262 PolarHBondContact O-N 3.32Å; H259-I262 PolarHBondContact O-N 3.03Å; I262-S264 VanDerWaalsContact C-N 3.32Å; I262-S264 PolarHBondContact O-N 3.32Å; I262-R265 PolarHBondContact O-N 3.27Å; I262-R265 VanDerWaalsContact O-N 3.16Å; I262-K266 HydrophobicContact CG2-CD 4.35Å; I262-K266 HydrophobicContact CG2-CG 4.42Å; I262-K266 WeakPolarHBondContact O-CG 3.32Å; I262-K266 PolarHBondContact O-N 3.45Å |
| 263 | E | 79.2 | Confident | 75 | Confident | 111 Ų | 111 | 86.5 Ų | 86.5 | 52% | 0.519 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.9 | -43.6 | 174.6 | -88.9 | -164.8 | 131 | 0 | 0 | 112.5 | H259 R265 K266 R267 | H259-E263 PolarHBondContact O-N 3.26Å; E263-R265 VanDerWaalsContact C-N 3.31Å; E263-R265 PolarHBondContact O-N 2.95Å; E263-K266 WeakPolarHBondContact O-CB 3.42Å; E263-K266 PolarHBondContact O-N 2.66Å; E263-R267 PolarHBondContact O-N 3.31Å |
| 264 | S | 76.3 | Confident | 76.7 | Confident | 63 Ų | 63 | 80 Ų | 80 | 44% | 0.441 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 176.6 | 80.4 | 0 | 0 | 0 | 0 | 111.5 | K260 Q261 I262 R267 V268 | K260-S264 PolarHBondContact O-N 2.93Å; K260-S264 VanDerWaalsContact O-N 3.1Å; Q261-S264 PolarHBondContact O-N 3.49Å; Q261-S264 PolarHBondContact O-OG 2.91Å; I262-S264 VanDerWaalsContact C-N 3.32Å; I262-S264 PolarHBondContact O-N 3.32Å; S264-R267 PolarHBondContact O-N 2.73Å; S264-V268 WeakPolarHBondContact O-CG2 3.42Å; S264-V268 PolarHBondContact O-N 3.09Å |
| 265 | R | 79.5 | Confident | 78.3 | Confident | 47 Ų | 47 | 72.5 Ų | 72.5 | 18% | 0.177 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 177.8 | -67.6 | 176.1 | -174.5 | -166.5 | 3.8 | 111.4 | A147 I148 Q261 I262 E263 R267 V268 A269 | A147-R265 WeakPolarHBondContact O-CD 3.21Å; A147-R265 PolarHBondContact O-NH1 3.5Å; I148-R265 HydrophobicContact CD1-CB 4.49Å; I148-R265 HydrophobicContact CG1-CB 3.86Å; Q261-R265 WeakPolarHBondContact O-CG 3.09Å; Q261-R265 PolarHBondContact O-N 3.42Å; Q261-R265 VanDerWaalsContact O-N 3.09Å; I262-R265 PolarHBondContact O-N 3.27Å; I262-R265 VanDerWaalsContact O-N 3.16Å; E263-R265 VanDerWaalsContact C-N 3.31Å; E263-R265 PolarHBondContact O-N 2.95Å; R265-R267 VanDerWaalsContact C-N 3.35Å; R265-R267 PolarHBondContact O-N 3.23Å; R265-V268 PolarHBondContact O-N 2.9Å; R265-A269 PolarHBondContact O-N 3.27Å |
| 266 | K | 81 | Confident | 80.1 | Confident | 78 Ų | 78 | 67.1 Ų | 67.1 | 34% | 0.339 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 173.7 | -75.4 | 178.4 | -178.9 | 177.6 | 0 | 112 | L243 I262 E263 V268 A269 K270 | L243-K266 HydrophobicContact CD1-CD 4.37Å; L243-K266 HydrophobicContact CD1-CG 4.19Å; I262-K266 HydrophobicContact CG2-CD 4.35Å; I262-K266 HydrophobicContact CG2-CG 4.42Å; I262-K266 WeakPolarHBondContact O-CG 3.32Å; I262-K266 PolarHBondContact O-N 3.45Å; E263-K266 WeakPolarHBondContact O-CB 3.42Å; E263-K266 PolarHBondContact O-N 2.66Å; K266-V268 VanDerWaalsContact C-N 3.32Å; K266-V268 PolarHBondContact O-N 2.7Å; K266-A269 PolarHBondContact O-N 3.13Å; K266-K270 PolarHBondContact O-N 3.34Å |
| 267 | R | 81.7 | Confident | 81.4 | Confident | 106 Ų | 106 | 67.5 Ų | 67.5 | 40% | 0.4 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 177.4 | -177.4 | 179.1 | 174.8 | 168.5 | 5.3 | 112.1 | E263 S264 R265 T271 L332 | E263-R267 PolarHBondContact O-N 3.31Å; S264-R267 PolarHBondContact O-N 2.73Å; R265-R267 VanDerWaalsContact C-N 3.35Å; R265-R267 PolarHBondContact O-N 3.23Å; R267-T271 PolarHBondContact O-N 2.03Å; R267-T271 VanDerWaalsContact O-N 3.13Å; R267-T271 PolarHBondContact O-OG1 2.79Å; R267-L332 PolarHBondContact NE-O 3.4Å; R267-L332 PolarHBondContact NH2-O 3.49Å |
| 268 | V | 80.3 | Confident | 82.7 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 28% | 0.279 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 174.7 | -170.8 | 0 | 0 | 0 | 0 | 110.4 | P81 S264 R265 K266 K270 T271 V272 | P81-V268 HydrophobicContact CB-CG1 4.26Å; P81-V268 HydrophobicContact CG-CG1 4.23Å; S264-V268 WeakPolarHBondContact O-CG2 3.42Å; S264-V268 PolarHBondContact O-N 3.09Å; R265-V268 PolarHBondContact O-N 2.9Å; K266-V268 VanDerWaalsContact C-N 3.32Å; K266-V268 PolarHBondContact O-N 2.7Å; V268-K270 VanDerWaalsContact C-N 3.34Å; V268-K270 PolarHBondContact O-N 3.05Å; V268-T271 WeakPolarHBondContact O-CA 3.26Å; V268-T271 WeakPolarHBondContact O-CB 3.14Å; V268-T271 PolarHBondContact O-N 3.48Å; V268-V272 HydrophobicContact CG1-CG2 4.49Å; V268-V272 WeakPolarHBondContact O-CG2 3.44Å; V268-V272 PolarHBondContact O-N 2.96Å |
| 269 | A | 84.8 | Confident | 83.9 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 6% | 0.058 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R144 I148 Y236 R265 K266 T271 V272 L273 | R144-A269 HydrophobicContact CB-CB 4.2Å; R144-A269 HydrophobicContact CG-CB 4.27Å; I148-A269 HydrophobicContact CD1-CB 3.72Å; Y236-A269 HydrophobicContact CE1-CB 4.34Å; Y236-A269 WeakPolarHBondContact CE1-O 3.47Å; Y236-A269 PolarHBondContact OH-O 3.16Å; R265-A269 PolarHBondContact O-N 3.27Å; K266-A269 PolarHBondContact O-N 3.13Å; A269-T271 PolarHBondContact O-N 3.3Å; A269-V272 PolarHBondContact O-N 3.42Å; A269-L273 PolarHBondContact O-N 2.89Å |
| 270 | K | 85.6 | Confident | 85 | Confident | 140 Ų | 140 | 56.3 Ų | 56.3 | 61% | 0.609 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.7 | -37.8 | 171.7 | -178.3 | 176.1 | 179.5 | 174.1 | 0 | 111.6 | K266 V268 L273 V274 | K266-K270 PolarHBondContact O-N 3.34Å; V268-K270 VanDerWaalsContact C-N 3.34Å; V268-K270 PolarHBondContact O-N 3.05Å; K270-L273 PolarHBondContact O-N 3.47Å; K270-V274 WeakPolarHBondContact O-CG2 3.28Å; K270-V274 PolarHBondContact O-N 3.45Å |
| 271 | T | 83.3 | Confident | 86 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 178 | -55.3 | 0 | 0 | 0 | 0 | 112 | R267 V268 A269 L273 V274 L275 L332 | R267-T271 PolarHBondContact O-N 2.03Å; R267-T271 VanDerWaalsContact O-N 3.13Å; R267-T271 PolarHBondContact O-OG1 2.79Å; V268-T271 WeakPolarHBondContact O-CA 3.26Å; V268-T271 WeakPolarHBondContact O-CB 3.14Å; V268-T271 PolarHBondContact O-N 3.48Å; A269-T271 PolarHBondContact O-N 3.3Å; T271-L273 VanDerWaalsContact C-N 3.27Å; T271-L273 PolarHBondContact O-N 3.2Å; T271-V274 PolarHBondContact O-N 2.97Å; T271-L275 WeakPolarHBondContact O-CG 3.47Å; T271-L275 PolarHBondContact O-N 3.05Å; T271-L332 HydrophobicContact CG2-CB 3.85Å; T271-L332 HydrophobicContact CG2-CD1 3.43Å; T271-L332 VanDerWaalsContact CG2-CD1 3.43Å; T271-L332 HydrophobicContact CG2-CG 4.22Å; T271-L332 VanDerWaalsContact OG1-CB 3.25Å; T271-L332 WeakPolarHBondContact OG1-CB 3.32Å |
| 272 | V | 86.8 | Confident | 87 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 178.2 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | L140 R144 Y236 V268 A269 V274 L275 V276 | L140-V272 HydrophobicContact CB-CG1 4.2Å; L140-V272 HydrophobicContact CD1-CG2 4.36Å; L140-V272 HydrophobicContact CD2-CB 4.33Å; L140-V272 HydrophobicContact CD2-CG1 4.03Å; L140-V272 HydrophobicContact CD2-CG2 3.44Å; L140-V272 VanDerWaalsContact CD2-CG2 3.44Å; L140-V272 HydrophobicContact CG-CB 4.38Å; L140-V272 HydrophobicContact CG-CG1 3.92Å; L140-V272 HydrophobicContact CG-CG2 3.51Å; R144-V272 HydrophobicContact CG-CG2 4.12Å; Y236-V272 WeakPolarHBondContact OH-CB 3.41Å; Y236-V272 WeakPolarHBondContact OH-CG1 3.44Å; V268-V272 HydrophobicContact CG1-CG2 4.49Å; V268-V272 WeakPolarHBondContact O-CG2 3.44Å; V268-V272 PolarHBondContact O-N 2.96Å; A269-V272 PolarHBondContact O-N 3.42Å; V272-V274 PolarHBondContact O-N 3.42Å; V272-L275 WeakPolarHBondContact O-CB 3.39Å; V272-L275 PolarHBondContact O-N 2.63Å; V272-V276 HydrophobicContact CG1-CG2 4.49Å; V272-V276 WeakPolarHBondContact O-CG2 3.5Å; V272-V276 PolarHBondContact O-N 2.92Å |
| 273 | L | 89.6 | Confident | 87.9 | Confident | 82 Ų | 82 | 49.3 Ų | 49.3 | 43% | 0.429 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 176.8 | -176.1 | 63.4 | 0 | 0 | 0 | 112 | Y236 A269 K270 T271 L275 V276 A277 | Y236-L273 HydrophobicContact CD1-CB 4.49Å; Y236-L273 HydrophobicContact CD1-CD1 4.2Å; Y236-L273 HydrophobicContact CD2-CD1 4.04Å; Y236-L273 HydrophobicContact CE1-CB 3.82Å; Y236-L273 HydrophobicContact CE1-CD1 4.26Å; Y236-L273 HydrophobicContact CE1-CG 4.46Å; Y236-L273 HydrophobicContact CE2-CB 4.44Å; Y236-L273 HydrophobicContact CE2-CD1 4.11Å; Y236-L273 HydrophobicContact CG-CD1 4.09Å; Y236-L273 PolarHBondContact OH-N 3.23Å; A269-L273 PolarHBondContact O-N 2.89Å; K270-L273 PolarHBondContact O-N 3.47Å; T271-L273 VanDerWaalsContact C-N 3.27Å; T271-L273 PolarHBondContact O-N 3.2Å; L273-L275 VanDerWaalsContact C-N 3.35Å; L273-V276 PolarHBondContact O-N 2.97Å; L273-A277 WeakPolarHBondContact O-CB 3.34Å; L273-A277 PolarHBondContact O-N 2.89Å |
| 274 | V | 88.9 | Confident | 88.7 | Confident | 55 Ų | 55 | 47 Ų | 47 | 33% | 0.333 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 174.9 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | K270 T271 V272 V276 A277 L278 | K270-V274 WeakPolarHBondContact O-CG2 3.28Å; K270-V274 PolarHBondContact O-N 3.45Å; T271-V274 PolarHBondContact O-N 2.97Å; V272-V274 PolarHBondContact O-N 3.42Å; V274-V276 VanDerWaalsContact C-N 3.33Å; V274-V276 PolarHBondContact O-N 2.63Å; V274-A277 PolarHBondContact O-N 3.4Å; V274-L278 HydrophobicContact CG1-CD1 3.67Å; V274-L278 HydrophobicContact CG1-CG 4.46Å; V274-L278 WeakPolarHBondContact O-CB 3.21Å; V274-L278 VanDerWaalsContact O-CG 3.28Å; V274-L278 WeakPolarHBondContact O-CG 3.19Å; V274-L278 PolarHBondContact O-N 3.03Å |
| 275 | L | 90.1 | Very high | 89.7 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.3 | -41.5 | 176.1 | -69.8 | 175.6 | 0 | 0 | 0 | 112.2 | L137 T271 V272 L273 L278 F279 V324 N325 A328 | L137-L275 HydrophobicContact CD2-CB 3.7Å; L137-L275 HydrophobicContact CD2-CD1 4.27Å; T271-L275 WeakPolarHBondContact O-CG 3.47Å; T271-L275 PolarHBondContact O-N 3.05Å; V272-L275 WeakPolarHBondContact O-CB 3.39Å; V272-L275 PolarHBondContact O-N 2.63Å; L273-L275 VanDerWaalsContact C-N 3.35Å; L275-L278 PolarHBondContact O-N 2.93Å; L275-F279 WeakPolarHBondContact O-CB 3.32Å; L275-F279 PolarHBondContact O-N 2.9Å; L275-V324 HydrophobicContact CD2-CG1 4.41Å; L275-N325 WeakPolarHBondContact CD2-OD1 3.2Å; L275-A328 HydrophobicContact CD2-CB 3.36Å; L275-A328 HydrophobicContact CG-CB 4.14Å |
| 276 | V | 93.1 | Very high | 90.4 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -45.6 | 176.6 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | L137 L229 I232 V272 L273 V274 L278 F279 A280 | L137-V276 HydrophobicContact CB-CG2 4.08Å; L137-V276 HydrophobicContact CD1-CG2 4.24Å; L137-V276 HydrophobicContact CD2-CG2 4.32Å; L137-V276 HydrophobicContact CG-CG2 4.45Å; L229-V276 HydrophobicContact CD2-CG1 3.8Å; I232-V276 HydrophobicContact CD1-CG1 4.28Å; I232-V276 HydrophobicContact CD1-CG2 4.11Å; I232-V276 HydrophobicContact CG2-CB 4.35Å; I232-V276 HydrophobicContact CG2-CG1 3.75Å; I232-V276 HydrophobicContact CG2-CG2 3.85Å; V272-V276 HydrophobicContact CG1-CG2 4.49Å; V272-V276 WeakPolarHBondContact O-CG2 3.5Å; V272-V276 PolarHBondContact O-N 2.92Å; L273-V276 PolarHBondContact O-N 2.97Å; V274-V276 VanDerWaalsContact C-N 3.33Å; V274-V276 PolarHBondContact O-N 2.63Å; V276-L278 VanDerWaalsContact C-N 3.3Å; V276-L278 PolarHBondContact O-N 2.84Å; V276-F279 PolarHBondContact O-N 3.48Å; V276-A280 WeakPolarHBondContact O-CB 3.44Å; V276-A280 PolarHBondContact O-N 3.14Å |
| 277 | A | 93.4 | Very high | 91.1 | Very high | 59 Ų | 59 | 40.9 Ų | 40.9 | 49% | 0.488 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.3 | -40.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L273 V274 A280 F281 | L273-A277 WeakPolarHBondContact O-CB 3.34Å; L273-A277 PolarHBondContact O-N 2.89Å; V274-A277 PolarHBondContact O-N 3.4Å; A277-A280 PolarHBondContact O-N 3.43Å; A277-F281 WeakPolarHBondContact O-CB 3.37Å; A277-F281 PolarHBondContact O-N 3Å |
| 278 | L | 92.6 | Very high | 91.7 | Very high | 58 Ų | 58 | 40.1 Ų | 40.1 | 30% | 0.304 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69 | -41 | 177.1 | -69.4 | 166.5 | 0 | 0 | 0 | 111.7 | V274 L275 V276 F281 C282 V324 | V274-L278 HydrophobicContact CG1-CD1 3.67Å; V274-L278 HydrophobicContact CG1-CG 4.46Å; V274-L278 WeakPolarHBondContact O-CB 3.21Å; V274-L278 VanDerWaalsContact O-CG 3.28Å; V274-L278 WeakPolarHBondContact O-CG 3.19Å; V274-L278 PolarHBondContact O-N 3.03Å; L275-L278 PolarHBondContact O-N 2.93Å; V276-L278 VanDerWaalsContact C-N 3.3Å; V276-L278 PolarHBondContact O-N 2.84Å; L278-F281 PolarHBondContact O-N 2.85Å; L278-C282 VanDerWaalsContact O-CB 3.24Å; L278-C282 WeakPolarHBondContact O-CB 3.35Å; L278-C282 PolarHBondContact O-N 2.99Å; L278-C282 PolarHBondContact O-SG 3.49Å; L278-C282 VanDerWaalsContact O-SG 3.36Å; L278-V324 HydrophobicContact CB-CG1 4.06Å; L278-V324 HydrophobicContact CD1-CG1 3.29Å; L278-V324 HydrophobicContact CG-CG1 4.21Å |
| 279 | F | 94.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.3 | -51.3 | 171.8 | 173.8 | -89.3 | 0 | 0 | 0 | 111.3 | V130 V134 L137 Y225 L229 L275 V276 F281 C282 W283 N321 | V130-F279 HydrophobicContact CG1-CE2 4.36Å; V130-F279 HydrophobicContact CG1-CZ 4.16Å; V134-F279 HydrophobicContact CB-CE1 3.81Å; V134-F279 HydrophobicContact CB-CE2 4.03Å; V134-F279 HydrophobicContact CB-CZ 3.53Å; V134-F279 HydrophobicContact CG1-CZ 4.47Å; V134-F279 HydrophobicContact CG2-CD1 4.03Å; V134-F279 HydrophobicContact CG2-CE1 3.42Å; V134-F279 VanDerWaalsContact CG2-CE1 3.42Å; V134-F279 HydrophobicContact CG2-CZ 3.71Å; L137-F279 HydrophobicContact CD1-CB 3.82Å; L137-F279 HydrophobicContact CD1-CD2 4.46Å; L137-F279 HydrophobicContact CD1-CG 4.08Å; Y225-F279 HydrophobicContact CD2-CE1 4.22Å; L229-F279 HydrophobicContact CD2-CD1 4.47Å; L275-F279 WeakPolarHBondContact O-CB 3.32Å; L275-F279 PolarHBondContact O-N 2.9Å; V276-F279 PolarHBondContact O-N 3.48Å; F279-F281 PolarHBondContact O-N 3.17Å; F279-C282 PolarHBondContact O-N 3.08Å; F279-W283 AromaticContact CD2-CD1 3.36Å; F279-W283 HydrophobicContact CD2-CG 4.26Å; F279-W283 AromaticContact CD2-NE1 3.74Å; F279-W283 AromaticContact CE2-CD1 3.33Å; F279-W283 HydrophobicContact CE2-CD2 4.45Å; F279-W283 AromaticContact CE2-CG 3.87Å; F279-W283 HydrophobicContact CE2-CG 3.87Å; F279-W283 AromaticContact CE2-NE1 3.62Å; F279-W283 HydrophobicContact CZ-CB 4.37Å; F279-W283 AromaticContact CZ-CD1 3.98Å; F279-W283 HydrophobicContact CZ-CG 4.12Å; F279-W283 WeakPolarHBondContact O-CB 3Å; F279-W283 PolarHBondContact O-N 3.36Å; F279-N321 WeakPolarHBondContact CA-OD1 3.27Å |
| 280 | A | 96.2 | Very high | 92.7 | Very high | 19 Ų | 19 | 39.8 Ų | 39.8 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.1 | -50.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111 | Y225 L229 V276 A277 C282 L284 | Y225-A280 PolarHBondContact OH-O 2.71Å; L229-A280 HydrophobicContact CD1-CB 3.93Å; L229-A280 HydrophobicContact CD2-CB 4.07Å; V276-A280 WeakPolarHBondContact O-CB 3.44Å; V276-A280 PolarHBondContact O-N 3.14Å; A277-A280 PolarHBondContact O-N 3.43Å; A280-C282 PolarHBondContact O-N 3.02Å; A280-L284 WeakPolarHBondContact O-CB 3.32Å; A280-L284 PolarHBondContact O-N 3.12Å |
| 281 | F | 96 | Very high | 93 | Very high | 129 Ų | 129 | 34.4 Ų | 34.4 | 57% | 0.566 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -60.9 | -45.8 | 178.8 | 177.8 | -102.9 | 0 | 0 | 0 | 112.8 | A277 L278 F279 P285 L317 | A277-F281 WeakPolarHBondContact O-CB 3.37Å; A277-F281 PolarHBondContact O-N 3Å; L278-F281 PolarHBondContact O-N 2.85Å; F279-F281 PolarHBondContact O-N 3.17Å; F281-P285 WeakPolarHBondContact O-CD 3.4Å; F281-L317 HydrophobicContact CD1-CD1 4.44Å; F281-L317 HydrophobicContact CD1-CD2 4.37Å; F281-L317 HydrophobicContact CE1-CD1 3.9Å; F281-L317 HydrophobicContact CE1-CD2 4.05Å; F281-L317 HydrophobicContact CZ-CD2 4.41Å |
| 282 | C | 95.9 | Very high | 93.3 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72 | -36.9 | -174.5 | -75.5 | 0 | 0 | 0 | 0 | 113.4 | L278 F279 A280 L317 A318 N321 | L278-C282 VanDerWaalsContact O-CB 3.24Å; L278-C282 WeakPolarHBondContact O-CB 3.35Å; L278-C282 PolarHBondContact O-N 2.99Å; L278-C282 PolarHBondContact O-SG 3.49Å; L278-C282 VanDerWaalsContact O-SG 3.36Å; F279-C282 PolarHBondContact O-N 3.08Å; A280-C282 PolarHBondContact O-N 3.02Å; C282-L317 HydrophobicContact CB-CG 4.31Å; C282-L317 WeakPolarHBondContact CB-O 3.24Å; C282-A318 WeakPolarHBondContact O-CA 3.28Å; C282-A318 PolarHBondContact O-N 2.88Å; C282-N321 HydrophobicContact CB-CB 3.83Å |
| 283 | W | 96.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 1% | 0.011 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -89.2 | -21.6 | -175.9 | -77.3 | 93.5 | 0 | 0 | 0 | 113.9 | V130 Y225 F279 N286 H287 A318 N321 | V130-W283 HydrophobicContact CG1-CE3 4.46Å; V130-W283 HydrophobicContact CG2-CD2 4.18Å; V130-W283 HydrophobicContact CG2-CE3 3.76Å; V130-W283 HydrophobicContact CG2-CH2 3.13Å; V130-W283 HydrophobicContact CG2-CZ2 3.57Å; V130-W283 HydrophobicContact CG2-CZ3 3.21Å; Y225-W283 HydrophobicContact CD2-CB 4.4Å; Y225-W283 HydrophobicContact CE2-CB 4.31Å; F279-W283 AromaticContact CD2-CD1 3.36Å; F279-W283 HydrophobicContact CD2-CG 4.26Å; F279-W283 AromaticContact CD2-NE1 3.74Å; F279-W283 AromaticContact CE2-CD1 3.33Å; F279-W283 HydrophobicContact CE2-CD2 4.45Å; F279-W283 AromaticContact CE2-CG 3.87Å; F279-W283 HydrophobicContact CE2-CG 3.87Å; F279-W283 AromaticContact CE2-NE1 3.62Å; F279-W283 HydrophobicContact CZ-CB 4.37Å; F279-W283 AromaticContact CZ-CD1 3.98Å; F279-W283 HydrophobicContact CZ-CG 4.12Å; F279-W283 WeakPolarHBondContact O-CB 3Å; F279-W283 PolarHBondContact O-N 3.36Å; W283-N286 PolarHBondContact O-N 3.29Å; W283-H287 PolarHBondContact O-CD2 3.21Å; W283-H287 PolarHBondContact O-N 2.82Å; W283-A318 HydrophobicContact CD2-CB 4.15Å; W283-A318 HydrophobicContact CE3-CB 3.97Å; W283-A318 HydrophobicContact CH2-CB 4.19Å; W283-A318 HydrophobicContact CZ2-CB 4.4Å; W283-A318 HydrophobicContact CZ3-CB 3.99Å; W283-N321 PolarHBondContact NE1-ND2 3.33Å |
| 284 | L | 96.9 | Very high | 93.3 | Very high | 63 Ų | 63 | 37 Ų | 37 | 33% | 0.33 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -54.1 | -51 | -177.6 | 180 | 62.5 | 0 | 0 | 0 | 113.3 | Y225 A280 N286 H287 I288 | Y225-L284 HydrophobicContact CE1-CD1 3.8Å; Y225-L284 HydrophobicContact CE2-CB 4.28Å; Y225-L284 WeakPolarHBondContact OH-CB 3.38Å; A280-L284 WeakPolarHBondContact O-CB 3.32Å; A280-L284 PolarHBondContact O-N 3.12Å; L284-N286 VanDerWaalsContact C-N 3.28Å; L284-N286 PolarHBondContact O-N 3.47Å; L284-H287 PolarHBondContact O-N 2.78Å; L284-I288 HydrophobicContact CD1-CD1 3.72Å; L284-I288 HydrophobicContact CD1-CG1 3.95Å; L284-I288 HydrophobicContact CD2-CD1 4.41Å; L284-I288 HydrophobicContact CG-CD1 3.74Å; L284-I288 HydrophobicContact CG-CG1 4.34Å; L284-I288 WeakPolarHBondContact O-CG1 3.4Å; L284-I288 PolarHBondContact O-N 3.3Å |
| 285 | P | 96.9 | Very high | 93.2 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 20% | 0.195 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -37.4 | -176.7 | -24.8 | 38.6 | 0 | 0 | 0 | 112 | F281 I288 L289 S314 L317 | F281-P285 WeakPolarHBondContact O-CD 3.4Å; P285-I288 PolarHBondContact O-N 2.96Å; P285-L289 WeakPolarHBondContact O-CB 3.33Å; P285-L289 PolarHBondContact O-N 2.86Å; P285-S314 VanDerWaalsContact CB-OG 3.28Å; P285-S314 WeakPolarHBondContact CB-OG 3.18Å; P285-L317 HydrophobicContact CG-CD2 3.8Å |
| 286 | N | 94.9 | Very high | 92.9 | Very high | 18 Ų | 18 | 40 Ų | 40 | 10% | 0.096 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.1 | -40.7 | 177.8 | -175.4 | 79 | 0 | 0 | 0 | 112.1 | W283 L284 L289 Y290 A318 | W283-N286 PolarHBondContact O-N 3.29Å; L284-N286 VanDerWaalsContact C-N 3.28Å; L284-N286 PolarHBondContact O-N 3.47Å; N286-L289 PolarHBondContact O-N 2.66Å; N286-Y290 WeakPolarHBondContact O-CB 3.46Å; N286-Y290 PolarHBondContact O-N 2.67Å; N286-A318 HydrophobicContact CB-CB 3.92Å |
| 287 | H | 95.4 | Very high | 92.1 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 5% | 0.051 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.8 | -43.4 | 174.9 | -83.6 | -63.6 | 0 | 0 | 0 | 112.8 | F221 Y225 W283 L284 L289 Y290 L291 | F221-H287 HydrophobicContact CD2-CB 3.58Å; F221-H287 AromaticContact CD2-CG 3.83Å; F221-H287 HydrophobicContact CE2-CB 3.76Å; Y225-H287 AromaticContact CD2-CD2 3.46Å; Y225-H287 VanDerWaalsContact CD2-CD2 3.46Å; Y225-H287 WeakPolarHBondContact CD2-CD2 3.15Å; Y225-H287 AromaticContact CD2-NE2 3.93Å; Y225-H287 AromaticContact CG-CD2 3.84Å; W283-H287 PolarHBondContact O-CD2 3.21Å; W283-H287 PolarHBondContact O-N 2.82Å; L284-H287 PolarHBondContact O-N 2.78Å; H287-L289 VanDerWaalsContact C-N 3.29Å; H287-L289 PolarHBondContact O-N 2.91Å; H287-Y290 PolarHBondContact O-N 2.96Å; H287-L291 PolarHBondContact O-N 3.4Å |
| 288 | I | 95.1 | Very high | 91.1 | Very high | 90 Ų | 90 | 43 Ų | 43 | 46% | 0.462 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.7 | -44.8 | 175.1 | -69.7 | 173.3 | 0 | 0 | 0 | 109.9 | L284 P285 Y290 L291 Y292 | L284-I288 HydrophobicContact CD1-CD1 3.72Å; L284-I288 HydrophobicContact CD1-CG1 3.95Å; L284-I288 HydrophobicContact CD2-CD1 4.41Å; L284-I288 HydrophobicContact CG-CD1 3.74Å; L284-I288 HydrophobicContact CG-CG1 4.34Å; L284-I288 WeakPolarHBondContact O-CG1 3.4Å; L284-I288 PolarHBondContact O-N 3.3Å; P285-I288 PolarHBondContact O-N 2.96Å; I288-Y290 PolarHBondContact O-N 2.65Å; I288-L291 PolarHBondContact O-N 2.97Å; I288-Y292 VanDerWaalsContact O-CB 3.28Å; I288-Y292 WeakPolarHBondContact O-CB 3.3Å; I288-Y292 PolarHBondContact O-N 3.49Å |
| 289 | L | 92.8 | Very high | 89.9 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.3 | -36.7 | -179.2 | -174.4 | 67.3 | 0 | 0 | 0 | 112.5 | P285 N286 H287 Y292 R293 T311 | P285-L289 WeakPolarHBondContact O-CB 3.33Å; P285-L289 PolarHBondContact O-N 2.86Å; N286-L289 PolarHBondContact O-N 2.66Å; H287-L289 VanDerWaalsContact C-N 3.29Å; H287-L289 PolarHBondContact O-N 2.91Å; L289-Y292 HydrophobicContact CD1-CD1 4.4Å; L289-R293 WeakPolarHBondContact O-CB 3.37Å; L289-R293 WeakPolarHBondContact O-CG 3.16Å; L289-R293 PolarHBondContact O-N 3.39Å; L289-T311 VanDerWaalsContact CD2-CA 3.49Å; L289-T311 HydrophobicContact CD2-CG2 4.11Å |
| 290 | Y | 91.4 | Very high | 88.4 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 14% | 0.137 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 174.5 | -175 | -109.3 | 0 | 0 | 0 | 111.6 | E181 P204 Y205 H216 C220 N286 H287 I288 S294 | E181-Y290 PolarHBondContact OE1-OH 3.41Å; E181-Y290 PolarHBondContact OE2-OH 3Å; P204-Y290 HydrophobicContact CG-CE2 3.9Å; P204-Y290 PolarHBondContact O-OH 3.32Å; P204-Y290 VanDerWaalsContact O-OH 3.09Å; Y205-Y290 AromaticContact CD1-CE2 3.8Å; Y205-Y290 HydrophobicContact CD1-CE2 3.8Å; Y205-Y290 HydrophobicContact CE1-CE2 4.18Å; H216-Y290 PolarHBondContact CE1-OH 3.36Å; H216-Y290 PolarHBondContact ND1-OH 3.45Å; C220-Y290 HydrophobicContact CB-CE1 4.35Å; N286-Y290 WeakPolarHBondContact O-CB 3.46Å; N286-Y290 PolarHBondContact O-N 2.67Å; H287-Y290 PolarHBondContact O-N 2.96Å; I288-Y290 PolarHBondContact O-N 2.65Å; Y290-S294 WeakPolarHBondContact O-CB 3.28Å; Y290-S294 PolarHBondContact O-N 2.92Å |
| 291 | L | 92.4 | Very high | 86.8 | Confident | 27 Ų | 27 | 49 Ų | 49 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.1 | -53.2 | 172.3 | -75.8 | 168.1 | 0 | 0 | 0 | 111.1 | F221 H287 I288 R293 S294 F295 | F221-L291 HydrophobicContact CB-CD1 3.97Å; F221-L291 HydrophobicContact CB-CD2 4.28Å; F221-L291 HydrophobicContact CB-CG 4.28Å; F221-L291 HydrophobicContact CD1-CD1 3.63Å; F221-L291 HydrophobicContact CD2-CD1 4.11Å; F221-L291 HydrophobicContact CE1-CD1 4.04Å; F221-L291 HydrophobicContact CE2-CD1 4.47Å; F221-L291 HydrophobicContact CG-CD1 3.64Å; F221-L291 HydrophobicContact CG-CG 4.46Å; F221-L291 HydrophobicContact CZ-CD1 4.42Å; H287-L291 PolarHBondContact O-N 3.4Å; I288-L291 PolarHBondContact O-N 2.97Å; L291-R293 VanDerWaalsContact C-N 3.31Å; L291-R293 PolarHBondContact O-N 3.41Å; L291-S294 WeakPolarHBondContact O-CA 3.48Å; L291-S294 VanDerWaalsContact O-CB 3.29Å; L291-S294 WeakPolarHBondContact O-CB 3.49Å; L291-S294 PolarHBondContact O-N 3.44Å; L291-F295 HydrophobicContact CD2-CE2 4.03Å; L291-F295 VanDerWaalsContact O-CD2 3.3Å; L291-F295 WeakPolarHBondContact O-CD2 3.21Å; L291-F295 PolarHBondContact O-N 2.61Å |
| 292 | Y | 90.7 | Very high | 85.3 | Confident | 82 Ų | 82 | 46 Ų | 46 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -52.3 | -51 | -178.8 | 170.3 | -97.5 | 0 | 0 | 0 | 111.2 | I288 L289 S294 F295 T296 D302 H307 | I288-Y292 VanDerWaalsContact O-CB 3.28Å; I288-Y292 WeakPolarHBondContact O-CB 3.3Å; I288-Y292 PolarHBondContact O-N 3.49Å; L289-Y292 HydrophobicContact CD1-CD1 4.4Å; Y292-S294 VanDerWaalsContact C-N 3.29Å; Y292-S294 PolarHBondContact O-N 2.71Å; Y292-F295 PolarHBondContact O-N 2.99Å; Y292-T296 HydrophobicContact CD2-CG2 3.88Å; Y292-T296 HydrophobicContact CE2-CG2 3.56Å; Y292-T296 PolarHBondContact O-N 2.96Å; Y292-T296 PolarHBondContact O-OG1 3.32Å; Y292-D302 PolarHBondContact OH-OD2 3.41Å; Y292-H307 AromaticContact CE1-CD2 3.66Å; Y292-H307 AromaticContact CE1-NE2 3.78Å |
| 293 | R | 87.1 | Confident | 83.9 | Confident | 66 Ų | 66 | 49.4 Ų | 49.4 | 25% | 0.249 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.6 | -42 | 175.2 | -78 | -175.6 | 166.9 | 109.5 | 5.3 | 112.8 | L289 L291 Y297 H307 T311 | L289-R293 WeakPolarHBondContact O-CB 3.37Å; L289-R293 WeakPolarHBondContact O-CG 3.16Å; L289-R293 PolarHBondContact O-N 3.39Å; L291-R293 VanDerWaalsContact C-N 3.31Å; L291-R293 PolarHBondContact O-N 3.41Å; R293-Y297 VanDerWaalsContact O-CB 3.28Å; R293-Y297 WeakPolarHBondContact O-CB 3.23Å; R293-Y297 PolarHBondContact O-N 3.31Å; R293-Y297 VanDerWaalsContact O-N 3.09Å; R293-H307 PolarHBondContact NH2-CE1 2.88Å; R293-T311 VanDerWaalsContact NH2-CG2 3.29Å; R293-T311 PolarHBondContact NH2-OG1 2.89Å |
| 294 | S | 87.9 | Confident | 83 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | -179.9 | 178.9 | 0 | 0 | 0 | 0 | 112 | Q213 E214 S217 Y290 L291 Y292 | Q213-S294 VanDerWaalsContact CG-OG 3.28Å; Q213-S294 WeakPolarHBondContact CG-OG 3.5Å; Q213-S294 PolarHBondContact NE2-O 2.96Å; Q213-S294 PolarHBondContact O-OG 3.05Å; E214-S294 WeakPolarHBondContact CA-OG 3.3Å; S217-S294 WeakPolarHBondContact CB-OG 3.44Å; S217-S294 WeakPolarHBondContact OG-CB 3.42Å; S217-S294 PolarHBondContact OG-OG 2.99Å; Y290-S294 WeakPolarHBondContact O-CB 3.28Å; Y290-S294 PolarHBondContact O-N 2.92Å; L291-S294 WeakPolarHBondContact O-CA 3.48Å; L291-S294 VanDerWaalsContact O-CB 3.29Å; L291-S294 WeakPolarHBondContact O-CB 3.49Å; L291-S294 PolarHBondContact O-N 3.44Å; Y292-S294 VanDerWaalsContact C-N 3.29Å; Y292-S294 PolarHBondContact O-N 2.71Å |
| 295 | F | 87.3 | Confident | 82.1 | Confident | 90 Ų | 90 | 52 Ų | 52 | 40% | 0.395 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -79.6 | -33.4 | -178.6 | -79.4 | -91.8 | 0 | 0 | 0 | 113.9 | E214 L291 Y292 | E214-F295 HydrophobicContact CB-CE1 4.07Å; E214-F295 HydrophobicContact CB-CE2 4.44Å; E214-F295 HydrophobicContact CB-CZ 4.03Å; E214-F295 HydrophobicContact CG-CD1 3.85Å; E214-F295 HydrophobicContact CG-CD2 4.48Å; E214-F295 HydrophobicContact CG-CE1 3.89Å; E214-F295 HydrophobicContact CG-CG 4.16Å; E214-F295 HydrophobicContact CG-CZ 4.23Å; L291-F295 HydrophobicContact CD2-CE2 4.03Å; L291-F295 VanDerWaalsContact O-CD2 3.3Å; L291-F295 WeakPolarHBondContact O-CD2 3.21Å; L291-F295 PolarHBondContact O-N 2.61Å; Y292-F295 PolarHBondContact O-N 2.99Å |
| 296 | T | 83.7 | Confident | 81.5 | Confident | 33 Ų | 33 | 58.4 Ų | 58.4 | 20% | 0.202 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -89.7 | -13.8 | -176.9 | 59.4 | 0 | 0 | 0 | 0 | 114.2 | Y292 H298 S299 S300 | Y292-T296 HydrophobicContact CD2-CG2 3.88Å; Y292-T296 HydrophobicContact CE2-CG2 3.56Å; Y292-T296 PolarHBondContact O-N 2.96Å; Y292-T296 PolarHBondContact O-OG1 3.32Å; T296-H298 PolarHBondContact O-N 2.97Å; T296-S299 PolarHBondContact O-N 2.91Å; T296-S300 PolarHBondContact O-N 2.91Å; T296-S300 VanDerWaalsContact O-N 3.09Å |
| 297 | Y | 76.3 | Confident | 81 | Confident | 43 Ų | 43 | 59 Ų | 59 | 17% | 0.169 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.5 | -44.9 | -176.4 | -171.6 | -91 | 0 | 0 | 0 | 114.3 | F190 Y205 V207 R293 | F190-Y297 HydrophobicContact CE1-CE2 4.16Å; F190-Y297 VanDerWaalsContact CE1-OH 3.24Å; F190-Y297 WeakPolarHBondContact CE1-OH 3.31Å; Y205-Y297 HydrophobicContact CE2-CD2 4.26Å; V207-Y297 HydrophobicContact CG1-CD1 4.42Å; V207-Y297 HydrophobicContact CG1-CE1 3.42Å; V207-Y297 VanDerWaalsContact CG1-CE1 3.42Å; V207-Y297 HydrophobicContact CG1-CE2 4.43Å; V207-Y297 VanDerWaalsContact CG1-CZ 3.42Å; V207-Y297 WeakPolarHBondContact CG1-OH 3.34Å; R293-Y297 VanDerWaalsContact O-CB 3.28Å; R293-Y297 WeakPolarHBondContact O-CB 3.23Å; R293-Y297 PolarHBondContact O-N 3.31Å; R293-Y297 VanDerWaalsContact O-N 3.09Å |
| 298 | H | 71.8 | Confident | 80.5 | Confident | 88 Ų | 88 | 62 Ų | 62 | 41% | 0.407 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -12.3 | -175.3 | -70.1 | 87.2 | 0 | 0 | 0 | 114.5 | K210 T296 | K210-H298 HydrophobicContact CD-CB 4.39Å; T296-H298 PolarHBondContact O-N 2.97Å |
| 299 | S | 67.6 | Low | 80.2 | Confident | 88 Ų | 88 | 62.9 Ų | 62.9 | 62% | 0.615 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -42.5 | -175.2 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | T296 | T296-S299 PolarHBondContact O-N 2.91Š|
| 300 | S | 62.8 | Low | 80.1 | Confident | 53 Ų | 53 | 63.7 Ų | 63.7 | 37% | 0.371 | 35% | 0.351 | S | S | . | . | trans | -166.1 | 125.6 | 179.7 | 52 | 0 | 0 | 0 | 0 | 110.2 | T296 D302 | T296-S300 PolarHBondContact O-N 2.91Å; T296-S300 VanDerWaalsContact O-N 3.09Å; S300-D302 PolarHBondContact O-N 3.26Å | ||
| 301 | V | 63.5 | Low | 80.1 | Confident | 62 Ų | 62 | 62.6 Ų | 62.6 | 38% | 0.376 | 35% | 0.348 | S | S | . | . | trans | -79.9 | 101.8 | 168.1 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | V4 A303 | V4-V301 HydrophobicContact CB-CG2 4.42Å; V4-V301 HydrophobicContact CG2-CG1 4.44Å; V301-A303 PolarHBondContact O-N 3.09Å | ||
| 302 | D | 64.4 | Low | 80.1 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 35% | 0.353 | 35% | 0.348 | S | S | . | . | trans | -72.4 | 95.6 | 177.4 | -95.3 | -38.6 | 0 | 0 | 0 | 110.5 | Y292 S300 S304 H307 | Y292-D302 PolarHBondContact OH-OD2 3.41Å; S300-D302 PolarHBondContact O-N 3.26Å; D302-S304 PolarHBondContact O-N 3.47Å; D302-H307 HydrophobicContact CB-CB 4.49Å; D302-H307 PolarHBondContact O-ND1 2.82Å | ||
| 303 | A | 65.6 | Low | 80.2 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 66% | 0.661 | 36% | 0.357 | S | S | * | . | trans | -82.4 | 20.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V301 | V301-A303 PolarHBondContact O-N 3.09Š| ||
| 304 | S | 78.1 | Confident | 80.7 | Confident | 48 Ų | 48 | 61.7 Ų | 61.7 | 34% | 0.336 | 35% | 0.348 | S | S | . | . | trans | -68.5 | 145.7 | -177.2 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | D302 F306 H307 L308 | D302-S304 PolarHBondContact O-N 3.47Å; S304-F306 PolarHBondContact O-N 2.85Å; S304-F306 VanDerWaalsContact O-N 3.15Å; S304-H307 PolarHBondContact O-N 3.2Å; S304-H307 WeakPolarHBondContact OG-CB 3.35Å; S304-H307 PolarHBondContact OG-N 3.31Å; S304-L308 PolarHBondContact O-N 3.31Å; S304-L308 VanDerWaalsContact O-N 3.16Å | ||
| 305 | A | 78.5 | Confident | 81 | Confident | 72 Ų | 72 | 63.3 Ų | 63.3 | 60% | 0.595 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -54.6 | -33.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L308 I309 | A305-L308 PolarHBondContact O-N 2.63Å; A305-I309 VanDerWaalsContact O-CG1 3.27Å; A305-I309 WeakPolarHBondContact O-CG1 3.44Å; A305-I309 PolarHBondContact O-N 3.31Å |
| 306 | F | 83.3 | Confident | 81.4 | Confident | 164 Ų | 164 | 59.7 Ų | 59.7 | 72% | 0.719 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.9 | -47.6 | 173.5 | 178.6 | -99.9 | 0 | 0 | 0 | 112.6 | S304 L308 I309 A310 | S304-F306 PolarHBondContact O-N 2.85Å; S304-F306 VanDerWaalsContact O-N 3.15Å; F306-L308 VanDerWaalsContact C-N 3.33Å; F306-L308 PolarHBondContact O-N 3.45Å; F306-I309 PolarHBondContact O-N 3.14Å; F306-A310 VanDerWaalsContact O-CB 3.28Å; F306-A310 WeakPolarHBondContact O-CB 3.49Å; F306-A310 PolarHBondContact O-N 3.39Å |
| 307 | H | 85.7 | Confident | 82 | Confident | 31 Ų | 31 | 59.4 Ų | 59.4 | 14% | 0.144 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 178.9 | -179.2 | -117.2 | 0 | 0 | 0 | 112 | Y292 R293 D302 S304 T311 | Y292-H307 AromaticContact CE1-CD2 3.66Å; Y292-H307 AromaticContact CE1-NE2 3.78Å; R293-H307 PolarHBondContact NH2-CE1 2.88Å; D302-H307 HydrophobicContact CB-CB 4.49Å; D302-H307 PolarHBondContact O-ND1 2.82Å; S304-H307 PolarHBondContact O-N 3.2Å; S304-H307 WeakPolarHBondContact OG-CB 3.35Å; S304-H307 PolarHBondContact OG-N 3.31Å; H307-T311 WeakPolarHBondContact O-CB 3.26Å; H307-T311 PolarHBondContact O-N 2.82Å; H307-T311 PolarHBondContact O-OG1 3.49Å |
| 308 | L | 85 | Confident | 82.9 | Confident | 73 Ų | 73 | 57.4 Ų | 57.4 | 38% | 0.382 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 172.8 | 178.4 | 62.9 | 0 | 0 | 0 | 111.8 | S304 A305 F306 A310 T311 I312 | S304-L308 PolarHBondContact O-N 3.31Å; S304-L308 VanDerWaalsContact O-N 3.16Å; A305-L308 PolarHBondContact O-N 2.63Å; F306-L308 VanDerWaalsContact C-N 3.33Å; F306-L308 PolarHBondContact O-N 3.45Å; L308-A310 PolarHBondContact O-N 3.49Å; L308-T311 WeakPolarHBondContact O-CA 3.48Å; L308-T311 VanDerWaalsContact O-CB 3.3Å; L308-T311 WeakPolarHBondContact O-CB 3.29Å; L308-T311 PolarHBondContact O-N 3.27Å; L308-T311 VanDerWaalsContact O-N 3.09Å; L308-I312 HydrophobicContact CD1-CD1 4.01Å; L308-I312 HydrophobicContact CD1-CG1 4.41Å; L308-I312 HydrophobicContact CG-CD1 3.88Å; L308-I312 WeakPolarHBondContact O-CG1 3.17Å; L308-I312 PolarHBondContact O-N 3.5Å |
| 309 | I | 88.3 | Confident | 84.1 | Confident | 109 Ų | 109 | 53.2 Ų | 53.2 | 56% | 0.559 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.8 | -46.2 | 178.7 | -68.4 | 165.6 | 0 | 0 | 0 | 110.7 | A305 F306 T311 I312 F313 | A305-I309 VanDerWaalsContact O-CG1 3.27Å; A305-I309 WeakPolarHBondContact O-CG1 3.44Å; A305-I309 PolarHBondContact O-N 3.31Å; F306-I309 PolarHBondContact O-N 3.14Å; I309-T311 PolarHBondContact O-N 3.11Å; I309-I312 PolarHBondContact O-N 2.82Å; I309-F313 VanDerWaalsContact O-CB 3.31Å; I309-F313 WeakPolarHBondContact O-CB 3.23Å; I309-F313 PolarHBondContact O-N 3.41Å |
| 310 | A | 91.5 | Very high | 85.4 | Confident | 28 Ų | 28 | 50.9 Ų | 50.9 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -35.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F306 L308 S314 | F306-A310 VanDerWaalsContact O-CB 3.28Å; F306-A310 WeakPolarHBondContact O-CB 3.49Å; F306-A310 PolarHBondContact O-N 3.39Å; L308-A310 PolarHBondContact O-N 3.49Å; A310-S314 WeakPolarHBondContact O-CB 3.21Å; A310-S314 PolarHBondContact O-N 2.85Å; A310-S314 PolarHBondContact O-OG 3.04Å |
| 311 | T | 91 | Very high | 86.8 | Confident | 12 Ų | 12 | 48.6 Ų | 48.6 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.6 | -52.6 | 176.2 | -57.4 | 0 | 0 | 0 | 0 | 112.9 | L289 R293 H307 L308 I309 F313 S314 R315 | L289-T311 VanDerWaalsContact CD2-CA 3.49Å; L289-T311 HydrophobicContact CD2-CG2 4.11Å; R293-T311 VanDerWaalsContact NH2-CG2 3.29Å; R293-T311 PolarHBondContact NH2-OG1 2.89Å; H307-T311 WeakPolarHBondContact O-CB 3.26Å; H307-T311 PolarHBondContact O-N 2.82Å; H307-T311 PolarHBondContact O-OG1 3.49Å; L308-T311 WeakPolarHBondContact O-CA 3.48Å; L308-T311 VanDerWaalsContact O-CB 3.3Å; L308-T311 WeakPolarHBondContact O-CB 3.29Å; L308-T311 PolarHBondContact O-N 3.27Å; L308-T311 VanDerWaalsContact O-N 3.09Å; I309-T311 PolarHBondContact O-N 3.11Å; T311-F313 VanDerWaalsContact C-N 3.29Å; T311-F313 PolarHBondContact O-N 3.12Å; T311-S314 PolarHBondContact O-N 3.35Å; T311-R315 HydrophobicContact CG2-CG 4.43Å; T311-R315 WeakPolarHBondContact O-CB 3.35Å; T311-R315 WeakPolarHBondContact O-CG 3.41Å; T311-R315 PolarHBondContact O-N 3.33Å |
| 312 | I | 91.6 | Very high | 88.2 | Confident | 28 Ų | 28 | 45.6 Ų | 45.6 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.7 | -49.4 | 178.8 | -67.6 | 158 | 0 | 0 | 0 | 109.4 | I49 Y107 L308 I309 R315 A316 | I49-I312 HydrophobicContact CD1-CD1 3.67Å; I49-I312 HydrophobicContact CD1-CG1 4.12Å; I49-I312 HydrophobicContact CD1-CG2 4.37Å; I49-I312 HydrophobicContact CG1-CD1 4.33Å; I49-I312 HydrophobicContact CG1-CG2 3.88Å; Y107-I312 HydrophobicContact CD1-CG1 4.16Å; Y107-I312 HydrophobicContact CE1-CD1 4.3Å; Y107-I312 HydrophobicContact CE1-CG1 3.45Å; Y107-I312 VanDerWaalsContact CE1-CG1 3.45Å; L308-I312 HydrophobicContact CD1-CD1 4.01Å; L308-I312 HydrophobicContact CD1-CG1 4.41Å; L308-I312 HydrophobicContact CG-CD1 3.88Å; L308-I312 WeakPolarHBondContact O-CG1 3.17Å; L308-I312 PolarHBondContact O-N 3.5Å; I309-I312 PolarHBondContact O-N 2.82Å; I312-R315 PolarHBondContact O-N 3.37Å; I312-A316 WeakPolarHBondContact O-CB 3.47Å; I312-A316 PolarHBondContact O-N 3.26Å |
| 313 | F | 94 | Very high | 89.5 | Confident | 119 Ų | 119 | 43.1 Ų | 43.1 | 52% | 0.522 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.4 | -50 | 179.5 | 178.4 | -98.1 | 0 | 0 | 0 | 112 | I309 T311 R315 A316 L317 | I309-F313 VanDerWaalsContact O-CB 3.31Å; I309-F313 WeakPolarHBondContact O-CB 3.23Å; I309-F313 PolarHBondContact O-N 3.41Å; T311-F313 VanDerWaalsContact C-N 3.29Å; T311-F313 PolarHBondContact O-N 3.12Å; F313-R315 VanDerWaalsContact C-N 3.35Å; F313-R315 PolarHBondContact O-N 3.18Å; F313-A316 PolarHBondContact O-N 2.94Å; F313-L317 HydrophobicContact CE1-CD2 4.18Å; F313-L317 HydrophobicContact CZ-CD2 4.29Å; F313-L317 VanDerWaalsContact O-CB 3.23Å; F313-L317 WeakPolarHBondContact O-CB 3.36Å; F313-L317 PolarHBondContact O-N 3.45Å |
| 314 | S | 95.9 | Very high | 90.4 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -41.8 | -177.7 | -62.5 | 0 | 0 | 0 | 0 | 112.4 | P285 A310 T311 A318 | P285-S314 VanDerWaalsContact CB-OG 3.28Å; P285-S314 WeakPolarHBondContact CB-OG 3.18Å; A310-S314 WeakPolarHBondContact O-CB 3.21Å; A310-S314 PolarHBondContact O-N 2.85Å; A310-S314 PolarHBondContact O-OG 3.04Å; T311-S314 PolarHBondContact O-N 3.35Å; S314-A318 WeakPolarHBondContact O-CB 3.3Å; S314-A318 PolarHBondContact O-N 3.3Å |
| 315 | R | 94.5 | Very high | 90.4 | Very high | 35 Ų | 35 | 38.7 Ų | 38.7 | 13% | 0.132 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.6 | -45.3 | 179.2 | -66.1 | -172.2 | 74.7 | 83.7 | -0.5 | 111.9 | D103 T311 I312 F313 L317 A318 F319 | D103-R315 VanDerWaalsContact CG-NH2 3.29Å; D103-R315 IonicContact OD1-CZ 2.63Å; D103-R315 IonicContact OD1-NE 2.66Å; D103-R315 PolarHBondContact OD1-NE 3.17Å; D103-R315 IonicContact OD1-NH2 2.99Å; D103-R315 PolarHBondContact OD1-NH2 3.48Å; D103-R315 IonicContact OD2-CZ 3.91Å; D103-R315 IonicContact OD2-NE 3.71Å; D103-R315 PolarHBondContact OD2-NE 2.87Å; D103-R315 IonicContact OD2-NH2 3.69Å; T311-R315 HydrophobicContact CG2-CG 4.43Å; T311-R315 WeakPolarHBondContact O-CB 3.35Å; T311-R315 WeakPolarHBondContact O-CG 3.41Å; T311-R315 PolarHBondContact O-N 3.33Å; I312-R315 PolarHBondContact O-N 3.37Å; F313-R315 VanDerWaalsContact C-N 3.35Å; F313-R315 PolarHBondContact O-N 3.18Å; R315-L317 VanDerWaalsContact C-N 3.29Å; R315-L317 PolarHBondContact O-N 3.41Å; R315-A318 PolarHBondContact O-N 2.96Å; R315-F319 HydrophobicContact CB-CE2 4.27Å; R315-F319 WeakPolarHBondContact O-CD2 3.09Å; R315-F319 WeakPolarHBondContact O-CG 3.49Å; R315-F319 PolarHBondContact O-N 3.16Å |
| 316 | A | 95.4 | Very high | 90.4 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 11% | 0.107 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T52 Y53 I56 I312 F313 S320 | T52-A316 HydrophobicContact CG2-CB 4.27Å; Y53-A316 HydrophobicContact CE2-CB 4.36Å; I56-A316 HydrophobicContact CD1-CB 4.36Å; I312-A316 WeakPolarHBondContact O-CB 3.47Å; I312-A316 PolarHBondContact O-N 3.26Å; F313-A316 PolarHBondContact O-N 2.94Å; A316-S320 WeakPolarHBondContact O-CB 3.42Å; A316-S320 PolarHBondContact O-N 3.32Å; A316-S320 PolarHBondContact O-OG 3.39Å |
| 317 | L | 96.3 | Very high | 89.9 | Confident | 27 Ų | 27 | 33.4 Ų | 33.4 | 14% | 0.141 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.7 | -43.2 | 177.6 | -171.2 | 70.1 | 0 | 0 | 0 | 111.8 | F281 C282 P285 F313 R315 S320 N321 | F281-L317 HydrophobicContact CD1-CD1 4.44Å; F281-L317 HydrophobicContact CD1-CD2 4.37Å; F281-L317 HydrophobicContact CE1-CD1 3.9Å; F281-L317 HydrophobicContact CE1-CD2 4.05Å; F281-L317 HydrophobicContact CZ-CD2 4.41Å; C282-L317 HydrophobicContact CB-CG 4.31Å; C282-L317 WeakPolarHBondContact CB-O 3.24Å; P285-L317 HydrophobicContact CG-CD2 3.8Å; F313-L317 HydrophobicContact CE1-CD2 4.18Å; F313-L317 HydrophobicContact CZ-CD2 4.29Å; F313-L317 VanDerWaalsContact O-CB 3.23Å; F313-L317 WeakPolarHBondContact O-CB 3.36Å; F313-L317 PolarHBondContact O-N 3.45Å; R315-L317 VanDerWaalsContact C-N 3.29Å; R315-L317 PolarHBondContact O-N 3.41Å; L317-S320 WeakPolarHBondContact O-CB 3.32Å; L317-S320 PolarHBondContact O-N 2.9Å; L317-N321 PolarHBondContact O-N 3.45Å |
| 318 | A | 96.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C282 W283 N286 S314 R315 S320 N321 | C282-A318 WeakPolarHBondContact O-CA 3.28Å; C282-A318 PolarHBondContact O-N 2.88Å; W283-A318 HydrophobicContact CD2-CB 4.15Å; W283-A318 HydrophobicContact CE3-CB 3.97Å; W283-A318 HydrophobicContact CH2-CB 4.19Å; W283-A318 HydrophobicContact CZ2-CB 4.4Å; W283-A318 HydrophobicContact CZ3-CB 3.99Å; N286-A318 HydrophobicContact CB-CB 3.92Å; S314-A318 WeakPolarHBondContact O-CB 3.3Å; S314-A318 PolarHBondContact O-N 3.3Å; R315-A318 PolarHBondContact O-N 2.96Å; A318-S320 VanDerWaalsContact C-N 3.3Å; A318-S320 PolarHBondContact O-N 3.15Å; A318-N321 WeakPolarHBondContact O-CB 3.44Å; A318-N321 PolarHBondContact O-N 2.98Å |
| 319 | F | 95.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.4 | -30.9 | 177.6 | -61.8 | -37.6 | 0 | 0 | 0 | 113.3 | Y53 I56 L95 V100 D103 R315 N321 S322 | Y53-F319 HydrophobicContact CE1-CD2 4.05Å; Y53-F319 AromaticContact CE1-CE2 3.94Å; Y53-F319 HydrophobicContact CE1-CE2 3.94Å; I56-F319 HydrophobicContact CD1-CB 4.46Å; I56-F319 HydrophobicContact CG2-CB 4.01Å; L95-F319 HydrophobicContact CD1-CE1 4.45Å; L95-F319 HydrophobicContact CD2-CD1 4.13Å; L95-F319 HydrophobicContact CG-CD1 4.48Å; V100-F319 HydrophobicContact CG1-CD2 4.13Å; V100-F319 HydrophobicContact CG1-CG 4.48Å; V100-F319 HydrophobicContact CG2-CB 4.03Å; V100-F319 HydrophobicContact CG2-CD1 3.68Å; V100-F319 HydrophobicContact CG2-CD2 3.94Å; V100-F319 HydrophobicContact CG2-CE1 4.05Å; V100-F319 HydrophobicContact CG2-CE2 4.29Å; V100-F319 HydrophobicContact CG2-CG 3.62Å; V100-F319 HydrophobicContact CG2-CZ 4.34Å; D103-F319 HydrophobicContact CB-CE2 3.89Å; D103-F319 HydrophobicContact CB-CZ 4.03Å; D103-F319 WeakPolarHBondContact OD2-CE2 3.27Å; R315-F319 HydrophobicContact CB-CE2 4.27Å; R315-F319 WeakPolarHBondContact O-CD2 3.09Å; R315-F319 WeakPolarHBondContact O-CG 3.49Å; R315-F319 PolarHBondContact O-N 3.16Å; F319-N321 PolarHBondContact O-N 2.97Å; F319-S322 VanDerWaalsContact O-CB 3.29Å; F319-S322 WeakPolarHBondContact O-CB 3.27Å; F319-S322 PolarHBondContact O-N 3.43Å; F319-S322 VanDerWaalsContact O-N 3.08Å; F319-S322 PolarHBondContact O-OG 3.47Å |
| 320 | S | 94.7 | Very high | 87.6 | Confident | 38 Ų | 38 | 26.6 Ų | 26.6 | 27% | 0.266 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -61.6 | -23.1 | 175.2 | -63.6 | 0 | 0 | 0 | 0 | 113 | A316 L317 A318 S322 C323 | A316-S320 WeakPolarHBondContact O-CB 3.42Å; A316-S320 PolarHBondContact O-N 3.32Å; A316-S320 PolarHBondContact O-OG 3.39Å; L317-S320 WeakPolarHBondContact O-CB 3.32Å; L317-S320 PolarHBondContact O-N 2.9Å; A318-S320 VanDerWaalsContact C-N 3.3Å; A318-S320 PolarHBondContact O-N 3.15Å; S320-S322 PolarHBondContact O-N 2.88Å; S320-C323 VanDerWaalsContact O-CB 3.32Å; S320-C323 WeakPolarHBondContact O-CB 3.39Å; S320-C323 PolarHBondContact O-N 3Å |
| 321 | N | 93.4 | Very high | 86.2 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.027 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -53.2 | -37.4 | 172 | -177 | 69.7 | 0 | 0 | 0 | 112.1 | F279 C282 W283 L317 A318 F319 C323 V324 | F279-N321 WeakPolarHBondContact CA-OD1 3.27Å; C282-N321 HydrophobicContact CB-CB 3.83Å; W283-N321 PolarHBondContact NE1-ND2 3.33Å; L317-N321 PolarHBondContact O-N 3.45Å; A318-N321 WeakPolarHBondContact O-CB 3.44Å; A318-N321 PolarHBondContact O-N 2.98Å; F319-N321 PolarHBondContact O-N 2.97Å; N321-C323 PolarHBondContact O-N 3.46Å; N321-V324 WeakPolarHBondContact O-CB 3.32Å; N321-V324 PolarHBondContact O-N 3.08Å |
| 322 | S | 92.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.1 | -25.3 | 179 | -35.3 | 0 | 0 | 0 | 0 | 112.6 | N64 F319 S320 | N64-S322 PolarHBondContact ND2-O 2.98Å; F319-S322 VanDerWaalsContact O-CB 3.29Å; F319-S322 WeakPolarHBondContact O-CB 3.27Å; F319-S322 PolarHBondContact O-N 3.43Å; F319-S322 VanDerWaalsContact O-N 3.08Å; F319-S322 PolarHBondContact O-OG 3.47Å; S320-S322 PolarHBondContact O-N 2.88Å |
| 323 | C | 90.9 | Very high | 83.7 | Confident | 14 Ų | 14 | 35.7 Ų | 35.7 | 10% | 0.095 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -81.3 | -21 | 178.5 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | I56 V59 S320 N321 P326 F327 | I56-C323 PolarHBondContact O-SG 3.12Å; V59-C323 HydrophobicContact CG1-CB 4.09Å; S320-C323 VanDerWaalsContact O-CB 3.32Å; S320-C323 WeakPolarHBondContact O-CB 3.39Å; S320-C323 PolarHBondContact O-N 3Å; N321-C323 PolarHBondContact O-N 3.46Å; C323-P326 WeakPolarHBondContact O-CD 3.44Å; C323-F327 WeakPolarHBondContact O-CD2 3.28Å; C323-F327 WeakPolarHBondContact O-CE2 3.47Å |
| 324 | V | 84.4 | Confident | 82.5 | Confident | 27 Ų | 27 | 37.3 Ų | 37.3 | 16% | 0.164 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.4 | -36.8 | -170.1 | 170.7 | 0 | 0 | 0 | 0 | 112.6 | L275 L278 N321 F327 A328 | L275-V324 HydrophobicContact CD2-CG1 4.41Å; L278-V324 HydrophobicContact CB-CG1 4.06Å; L278-V324 HydrophobicContact CD1-CG1 3.29Å; L278-V324 HydrophobicContact CG-CG1 4.21Å; N321-V324 WeakPolarHBondContact O-CB 3.32Å; N321-V324 PolarHBondContact O-N 3.08Å; V324-F327 PolarHBondContact O-N 2.71Å; V324-A328 PolarHBondContact O-N 3.23Å |
| 325 | N | 79.9 | Confident | 81.1 | Confident | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.7 | -46.6 | -171.5 | -68.9 | -30.1 | 0 | 0 | 0 | 113.5 | D92 L275 L329 | D92-N325 PolarHBondContact OD2-ND2 3.45Å; L275-N325 WeakPolarHBondContact CD2-OD1 3.2Å; N325-L329 PolarHBondContact O-N 3.26Å |
| 326 | P | 76.8 | Confident | 80 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63 | -38.7 | 173.5 | -23.9 | 34.7 | 0 | 0 | 0 | 114.3 | L67 C323 Y330 | L67-P326 HydrophobicContact CD1-CG 4.33Å; C323-P326 WeakPolarHBondContact O-CD 3.44Å; P326-Y330 VanDerWaalsContact O-CB 3.28Å; P326-Y330 WeakPolarHBondContact O-CB 3.43Å; P326-Y330 PolarHBondContact O-N 2.92Å |
| 327 | F | 72.9 | Confident | 79.2 | Confident | 120 Ų | 120 | 42.1 Ų | 42.1 | 53% | 0.526 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.4 | -41.6 | -179.5 | -67.8 | -66.9 | 0 | 0 | 0 | 112.2 | V59 C323 V324 L329 Y330 W331 | V59-F327 HydrophobicContact CG1-CE2 3.57Å; V59-F327 HydrophobicContact CG1-CZ 3.74Å; C323-F327 WeakPolarHBondContact O-CD2 3.28Å; C323-F327 WeakPolarHBondContact O-CE2 3.47Å; V324-F327 PolarHBondContact O-N 2.71Å; F327-L329 VanDerWaalsContact C-N 3.33Å; F327-L329 PolarHBondContact O-N 3.07Å; F327-Y330 PolarHBondContact O-N 2.92Å; F327-W331 PolarHBondContact O-N 2.85Å |
| 328 | A | 69.8 | Low | 78.4 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 7% | 0.066 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.2 | -49.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | L275 V324 Y330 W331 L332 | L275-A328 HydrophobicContact CD2-CB 3.36Å; L275-A328 HydrophobicContact CG-CB 4.14Å; V324-A328 PolarHBondContact O-N 3.23Å; A328-Y330 PolarHBondContact O-N 3.29Å; A328-W331 PolarHBondContact O-N 2.91Å; A328-L332 HydrophobicContact CB-CD1 4.27Å; A328-L332 WeakPolarHBondContact O-CB 2.94Å; A328-L332 WeakPolarHBondContact O-CD1 3.21Å; A328-L332 WeakPolarHBondContact O-CG 3.44Å; A328-L332 PolarHBondContact O-N 3.38Å |
| 329 | L | 69.5 | Low | 77.6 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.5 | -39.7 | 175.9 | -85.3 | -173.1 | 0 | 0 | 0 | 113.9 | L67 I85 N325 F327 W331 L332 S333 F336 | L67-L329 HydrophobicContact CD1-CD1 3.79Å; L67-L329 HydrophobicContact CG-CD1 4.05Å; I85-L329 HydrophobicContact CB-CD1 4.25Å; I85-L329 HydrophobicContact CD1-CD1 4.27Å; I85-L329 HydrophobicContact CD1-CD2 3.56Å; I85-L329 HydrophobicContact CD1-CG 4.11Å; I85-L329 HydrophobicContact CG2-CD1 3.33Å; I85-L329 HydrophobicContact CG2-CG 3.94Å; N325-L329 PolarHBondContact O-N 3.26Å; F327-L329 VanDerWaalsContact C-N 3.33Å; F327-L329 PolarHBondContact O-N 3.07Å; L329-W331 VanDerWaalsContact C-N 3.35Å; L329-W331 PolarHBondContact O-N 2.99Å; L329-L332 PolarHBondContact O-N 3.17Å; L329-S333 WeakPolarHBondContact O-CB 3.45Å; L329-S333 PolarHBondContact O-N 3.47Å; L329-F336 HydrophobicContact CB-CD1 3.83Å; L329-F336 HydrophobicContact CB-CE1 3.89Å; L329-F336 HydrophobicContact CB-CG 4.19Å; L329-F336 HydrophobicContact CB-CZ 4.32Å; L329-F336 HydrophobicContact CD1-CD2 4.38Å; L329-F336 HydrophobicContact CD1-CE2 4.21Å; L329-F336 HydrophobicContact CD1-CZ 4.4Å |
| 330 | Y | 71.1 | Confident | 76.8 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 20% | 0.204 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.8 | -41.8 | 176.4 | 178.7 | -94.2 | 0 | 0 | 0 | 112.8 | P326 F327 A328 R337 F340 K341 | P326-Y330 VanDerWaalsContact O-CB 3.28Å; P326-Y330 WeakPolarHBondContact O-CB 3.43Å; P326-Y330 PolarHBondContact O-N 2.92Å; F327-Y330 PolarHBondContact O-N 2.92Å; A328-Y330 PolarHBondContact O-N 3.29Å; Y330-R337 HydrophobicContact CD2-CB 4.27Å; Y330-R337 HydrophobicContact CD2-CG 3.81Å; Y330-R337 HydrophobicContact CE1-CG 4.17Å; Y330-R337 HydrophobicContact CE2-CB 4.28Å; Y330-R337 HydrophobicContact CE2-CG 3.4Å; Y330-R337 VanDerWaalsContact CE2-CG 3.4Å; Y330-R337 HydrophobicContact CG-CG 4.34Å; Y330-R337 WeakPolarHBondContact O-CB 3.44Å; Y330-F340 HydrophobicContact CD2-CB 3.93Å; Y330-F340 AromaticContact CD2-CD1 3.55Å; Y330-F340 HydrophobicContact CD2-CD1 3.55Å; Y330-F340 HydrophobicContact CD2-CE1 4.27Å; Y330-F340 AromaticContact CD2-CG 3.84Å; Y330-F340 HydrophobicContact CD2-CG 3.84Å; Y330-F340 HydrophobicContact CE2-CB 4.32Å; Y330-F340 AromaticContact CE2-CD1 3.67Å; Y330-F340 HydrophobicContact CE2-CD1 3.67Å; Y330-F340 HydrophobicContact CE2-CE1 4.42Å; Y330-F340 HydrophobicContact CE2-CG 4.29Å; Y330-K341 HydrophobicContact CE2-CG 4.15Å; Y330-K341 WeakPolarHBondContact OH-CE 3.3Å |
| 331 | W | 63.5 | Low | 76.1 | Confident | 202 Ų | 202 | 54.4 Ų | 54.4 | 77% | 0.765 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -75.9 | -34.2 | 179.2 | -160.2 | -96.3 | 0 | 0 | 0 | 112 | F327 A328 L329 | F327-W331 PolarHBondContact O-N 2.85Å; A328-W331 PolarHBondContact O-N 2.91Å; L329-W331 VanDerWaalsContact C-N 3.35Å; L329-W331 PolarHBondContact O-N 2.99Å |
| 332 | L | 61.5 | Low | 75.5 | Confident | 26 Ų | 26 | 60.9 Ų | 60.9 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -100.4 | -19.4 | -165.3 | -63.9 | 159.3 | 0 | 0 | 0 | 114.1 | R267 T271 A328 L329 | R267-L332 PolarHBondContact NE-O 3.4Å; R267-L332 PolarHBondContact NH2-O 3.49Å; T271-L332 HydrophobicContact CG2-CB 3.85Å; T271-L332 HydrophobicContact CG2-CD1 3.43Å; T271-L332 VanDerWaalsContact CG2-CD1 3.43Å; T271-L332 HydrophobicContact CG2-CG 4.22Å; T271-L332 VanDerWaalsContact OG1-CB 3.25Å; T271-L332 WeakPolarHBondContact OG1-CB 3.32Å; A328-L332 HydrophobicContact CB-CD1 4.27Å; A328-L332 WeakPolarHBondContact O-CB 2.94Å; A328-L332 WeakPolarHBondContact O-CD1 3.21Å; A328-L332 WeakPolarHBondContact O-CG 3.44Å; A328-L332 PolarHBondContact O-N 3.38Å; L329-L332 PolarHBondContact O-N 3.17Å |
| 333 | S | 68.4 | Low | 74.8 | Confident | 31 Ų | 31 | 63 Ų | 63 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | trans | -114.1 | 112.5 | 173.9 | 175.9 | 0 | 0 | 0 | 0 | 112.1 | L329 S335 F336 R337 | L329-S333 WeakPolarHBondContact O-CB 3.45Å; L329-S333 PolarHBondContact O-N 3.47Å; S333-S335 VanDerWaalsContact C-N 3.26Å; S333-S335 PolarHBondContact O-N 2.99Å; S333-F336 PolarHBondContact O-N 2.93Å; S333-F336 PolarHBondContact OG-N 3.4Å; S333-R337 WeakPolarHBondContact O-CB 3.47Å; S333-R337 PolarHBondContact O-N 3.35Å | ||
| 334 | K | 68.3 | Low | 74 | Confident | 152 Ų | 152 | 65.6 Ų | 65.6 | 66% | 0.661 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -57.9 | -39 | 176.3 | -77.8 | -177.2 | -177.9 | -177.4 | 0 | 111.8 | Q338 | K334-Q338 WeakPolarHBondContact O-CG 3.36Å; K334-Q338 PolarHBondContact O-N 3.47Å |
| 335 | S | 67.8 | Low | 73.5 | Confident | 43 Ų | 43 | 67.3 Ų | 67.3 | 30% | 0.301 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.1 | -46 | 178.9 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | M77 S333 R337 Q338 H339 | M77-S335 PolarHBondContact SD-OG 2.94Å; S333-S335 VanDerWaalsContact C-N 3.26Å; S333-S335 PolarHBondContact O-N 2.99Å; S335-R337 VanDerWaalsContact C-N 3.31Å; S335-R337 PolarHBondContact O-N 3.48Å; S335-Q338 PolarHBondContact O-N 3.21Å; S335-H339 PolarHBondContact O-CD2 2.97Å; S335-H339 PolarHBondContact O-N 3.16Å |
| 336 | F | 69.7 | Low | 72.5 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 175.6 | -173.9 | -96.1 | 0 | 0 | 0 | 111.4 | L67 V70 M77 L329 S333 Q338 H339 F340 | L67-F336 HydrophobicContact CB-CE2 4.39Å; L67-F336 HydrophobicContact CB-CZ 4.23Å; L67-F336 HydrophobicContact CG-CE2 4.19Å; L67-F336 HydrophobicContact CG-CZ 4.27Å; V70-F336 HydrophobicContact CB-CE2 4.46Å; V70-F336 HydrophobicContact CG1-CD2 4.21Å; V70-F336 HydrophobicContact CG1-CE2 4.29Å; M77-F336 HydrophobicContact CE-CB 3.83Å; M77-F336 HydrophobicContact CE-CD2 3.81Å; M77-F336 HydrophobicContact CE-CG 4.32Å; L329-F336 HydrophobicContact CB-CD1 3.83Å; L329-F336 HydrophobicContact CB-CE1 3.89Å; L329-F336 HydrophobicContact CB-CG 4.19Å; L329-F336 HydrophobicContact CB-CZ 4.32Å; L329-F336 HydrophobicContact CD1-CD2 4.38Å; L329-F336 HydrophobicContact CD1-CE2 4.21Å; L329-F336 HydrophobicContact CD1-CZ 4.4Å; S333-F336 PolarHBondContact O-N 2.93Å; S333-F336 PolarHBondContact OG-N 3.4Å; F336-Q338 VanDerWaalsContact C-N 3.31Å; F336-Q338 PolarHBondContact O-N 2.96Å; F336-H339 PolarHBondContact O-N 3.14Å; F336-H339 VanDerWaalsContact O-N 3.17Å; F336-F340 HydrophobicContact CD1-CB 4.39Å; F336-F340 HydrophobicContact CE1-CB 4.22Å; F336-F340 AromaticContact CE1-CD2 3.96Å; F336-F340 HydrophobicContact CE1-CD2 3.96Å; F336-F340 HydrophobicContact CE1-CG 4.38Å; F336-F340 HydrophobicContact CZ-CD2 4.18Å; F336-F340 WeakPolarHBondContact O-CB 3.28Å; F336-F340 PolarHBondContact O-N 3.43Å |
| 337 | R | 79.1 | Confident | 71.4 | Confident | 110 Ų | 110 | 74.4 Ų | 74.4 | 42% | 0.415 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -54.6 | -43.7 | 177.4 | -165.7 | -177.5 | 177.1 | -168.9 | -2.2 | 112.7 | Y330 S333 S335 K341 | Y330-R337 HydrophobicContact CD2-CB 4.27Å; Y330-R337 HydrophobicContact CD2-CG 3.81Å; Y330-R337 HydrophobicContact CE1-CG 4.17Å; Y330-R337 HydrophobicContact CE2-CB 4.28Å; Y330-R337 HydrophobicContact CE2-CG 3.4Å; Y330-R337 VanDerWaalsContact CE2-CG 3.4Å; Y330-R337 HydrophobicContact CG-CG 4.34Å; Y330-R337 WeakPolarHBondContact O-CB 3.44Å; S333-R337 WeakPolarHBondContact O-CB 3.47Å; S333-R337 PolarHBondContact O-N 3.35Å; S335-R337 VanDerWaalsContact C-N 3.31Å; S335-R337 PolarHBondContact O-N 3.48Å; R337-K341 WeakPolarHBondContact O-CB 3.28Å; R337-K341 VanDerWaalsContact O-CG 3.32Å; R337-K341 WeakPolarHBondContact O-CG 3.23Å; R337-K341 PolarHBondContact O-N 3.48Å |
| 338 | Q | 80.3 | Confident | 70.5 | Confident | 135 Ų | 135 | 77.2 Ų | 77.2 | 63% | 0.631 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 179.3 | -73.1 | 173.6 | -13.9 | 0 | 0 | 111.7 | K334 S335 F336 K342 | K334-Q338 WeakPolarHBondContact O-CG 3.36Å; K334-Q338 PolarHBondContact O-N 3.47Å; S335-Q338 PolarHBondContact O-N 3.21Å; F336-Q338 VanDerWaalsContact C-N 3.31Å; F336-Q338 PolarHBondContact O-N 2.96Å; Q338-K342 PolarHBondContact O-N 2.89Å; Q338-K342 VanDerWaalsContact O-N 3.12Å |
| 339 | H | 79.8 | Confident | 69.6 | Low | 51 Ų | 51 | 80.1 Ų | 80.1 | 24% | 0.236 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -71.7 | -40.2 | 179.6 | -64.5 | -54.2 | 0 | 0 | 0 | 113 | V70 I74 S335 F336 K342 Q343 | V70-H339 HydrophobicContact CG1-CB 4.05Å; V70-H339 HydrophobicContact CG2-CB 4.35Å; I74-H339 HydrophobicContact CD1-CB 3.85Å; I74-H339 WeakPolarHBondContact CD1-CD2 3.4Å; I74-H339 VanDerWaalsContact CD1-CE1 3.49Å; I74-H339 WeakPolarHBondContact CD1-CE1 3.42Å; I74-H339 VanDerWaalsContact CD1-ND1 3.29Å; I74-H339 WeakPolarHBondContact CD1-ND1 3.27Å; S335-H339 PolarHBondContact O-CD2 2.97Å; S335-H339 PolarHBondContact O-N 3.16Å; F336-H339 PolarHBondContact O-N 3.14Å; F336-H339 VanDerWaalsContact O-N 3.17Å; H339-K342 PolarHBondContact O-N 2.74Å; H339-Q343 WeakPolarHBondContact O-CG 3.39Å; H339-Q343 PolarHBondContact O-N 3.47Å; H339-Q343 VanDerWaalsContact O-N 3.08Å |
| 340 | F | 77.9 | Confident | 68.5 | Low | 38 Ų | 38 | 89 Ų | 89 | 17% | 0.167 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.4 | -48.6 | 173.8 | -171.6 | -87.7 | 0 | 0 | 0 | 110.9 | I66 Y330 F336 K342 Q343 V344 | I66-F340 HydrophobicContact CB-CD2 4.36Å; I66-F340 HydrophobicContact CB-CE2 4.15Å; I66-F340 HydrophobicContact CD1-CE2 3.85Å; I66-F340 HydrophobicContact CD1-CZ 4.19Å; I66-F340 HydrophobicContact CG2-CD2 3.5Å; I66-F340 HydrophobicContact CG2-CE2 3.77Å; I66-F340 HydrophobicContact CG2-CG 4.46Å; Y330-F340 HydrophobicContact CD2-CB 3.93Å; Y330-F340 AromaticContact CD2-CD1 3.55Å; Y330-F340 HydrophobicContact CD2-CD1 3.55Å; Y330-F340 HydrophobicContact CD2-CE1 4.27Å; Y330-F340 AromaticContact CD2-CG 3.84Å; Y330-F340 HydrophobicContact CD2-CG 3.84Å; Y330-F340 HydrophobicContact CE2-CB 4.32Å; Y330-F340 AromaticContact CE2-CD1 3.67Å; Y330-F340 HydrophobicContact CE2-CD1 3.67Å; Y330-F340 HydrophobicContact CE2-CE1 4.42Å; Y330-F340 HydrophobicContact CE2-CG 4.29Å; F336-F340 HydrophobicContact CD1-CB 4.39Å; F336-F340 HydrophobicContact CE1-CB 4.22Å; F336-F340 AromaticContact CE1-CD2 3.96Å; F336-F340 HydrophobicContact CE1-CD2 3.96Å; F336-F340 HydrophobicContact CE1-CG 4.38Å; F336-F340 HydrophobicContact CZ-CD2 4.18Å; F336-F340 WeakPolarHBondContact O-CB 3.28Å; F336-F340 PolarHBondContact O-N 3.43Å; F340-K342 VanDerWaalsContact C-N 3.33Å; F340-K342 PolarHBondContact O-N 2.92Å; F340-Q343 PolarHBondContact O-N 3.18Å; F340-V344 HydrophobicContact CD1-CG2 3.94Å; F340-V344 HydrophobicContact CE1-CG2 3.6Å; F340-V344 HydrophobicContact CZ-CG2 3.95Å; F340-V344 WeakPolarHBondContact O-CG2 3.42Å; F340-V344 PolarHBondContact O-N 2.55Å |
| 341 | K | 80.8 | Confident | 67.4 | Low | 101 Ų | 101 | 93.7 Ų | 93.7 | 44% | 0.439 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -55.9 | -45.9 | 175.5 | -79.5 | -175.6 | 177.8 | -170.1 | 0 | 112 | Y330 R337 Q343 V344 S345 | Y330-K341 HydrophobicContact CE2-CG 4.15Å; Y330-K341 WeakPolarHBondContact OH-CE 3.3Å; R337-K341 WeakPolarHBondContact O-CB 3.28Å; R337-K341 VanDerWaalsContact O-CG 3.32Å; R337-K341 WeakPolarHBondContact O-CG 3.23Å; R337-K341 PolarHBondContact O-N 3.48Å; K341-Q343 VanDerWaalsContact C-N 3.33Å; K341-Q343 PolarHBondContact O-N 3.26Å; K341-V344 PolarHBondContact O-N 2.94Å; K341-S345 WeakPolarHBondContact O-CB 3.43Å; K341-S345 PolarHBondContact O-N 3.32Å; K341-S345 PolarHBondContact O-OG 2.98Å |
| 342 | K | 80.7 | Confident | 66.4 | Low | 141 Ų | 141 | 95.1 Ų | 95.1 | 61% | 0.613 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.3 | -39.3 | 179.1 | -174.2 | 173.8 | -179.2 | 173.5 | 0 | 112.5 | Q338 H339 F340 S345 C346 | Q338-K342 PolarHBondContact O-N 2.89Å; Q338-K342 VanDerWaalsContact O-N 3.12Å; H339-K342 PolarHBondContact O-N 2.74Å; F340-K342 VanDerWaalsContact C-N 3.33Å; F340-K342 PolarHBondContact O-N 2.92Å; K342-S345 WeakPolarHBondContact CA-OG 3.48Å; K342-S345 PolarHBondContact O-OG 2.95Å; K342-C346 WeakPolarHBondContact O-CB 3.22Å; K342-C346 PolarHBondContact O-N 3.08Å; K342-C346 PolarHBondContact O-SG 2.83Å |
| 343 | Q | 77.3 | Confident | 65.5 | Low | 45 Ų | 45 | 100.2 Ų | 100.2 | 21% | 0.21 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -71.2 | -43.4 | 179 | -67.7 | -73 | -17.4 | 0 | 0 | 111.8 | V70 H339 F340 K341 | V70-Q343 HydrophobicContact CG2-CG 4.43Å; H339-Q343 WeakPolarHBondContact O-CG 3.39Å; H339-Q343 PolarHBondContact O-N 3.47Å; H339-Q343 VanDerWaalsContact O-N 3.08Å; F340-Q343 PolarHBondContact O-N 3.18Å; K341-Q343 VanDerWaalsContact C-N 3.33Å; K341-Q343 PolarHBondContact O-N 3.26Å |
| 344 | V | 75.1 | Confident | 64.1 | Low | 68 Ų | 68 | 107.9 Ų | 107.9 | 41% | 0.412 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.2 | -34.7 | 178.7 | 178 | 0 | 0 | 0 | 0 | 111.7 | I66 F340 K341 | I66-V344 HydrophobicContact CD1-CG2 4.11Å; F340-V344 HydrophobicContact CD1-CG2 3.94Å; F340-V344 HydrophobicContact CE1-CG2 3.6Å; F340-V344 HydrophobicContact CZ-CG2 3.95Å; F340-V344 WeakPolarHBondContact O-CG2 3.42Å; F340-V344 PolarHBondContact O-N 2.55Å; K341-V344 PolarHBondContact O-N 2.94Å |
| 345 | S | 73 | Confident | 63 | Low | 63 Ų | 63 | 106.1 Ų | 106.1 | 44% | 0.441 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -78.1 | -25.1 | 177.7 | 68.2 | 0 | 0 | 0 | 0 | 113.6 | K341 K342 C347 K348 A349 | K341-S345 WeakPolarHBondContact O-CB 3.43Å; K341-S345 PolarHBondContact O-N 3.32Å; K341-S345 PolarHBondContact O-OG 2.98Å; K342-S345 WeakPolarHBondContact CA-OG 3.48Å; K342-S345 PolarHBondContact O-OG 2.95Å; S345-C347 PolarHBondContact O-N 3.41Å; S345-K348 WeakPolarHBondContact O-CA 3.38Å; S345-K348 WeakPolarHBondContact O-CB 3.43Å; S345-K348 PolarHBondContact O-N 3.4Å; S345-A349 PolarHBondContact O-N 3.39Å; S345-A349 VanDerWaalsContact O-N 3.07Å |
| 346 | C | 58.8 | Low | 61.9 | Low | 61 Ų | 61 | 110 Ų | 110 | 41% | 0.412 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.5 | -25.7 | 172.1 | -90.1 | 0 | 0 | 0 | 0 | 112.8 | K342 K348 A349 K350 | K342-C346 WeakPolarHBondContact O-CB 3.22Å; K342-C346 PolarHBondContact O-N 3.08Å; K342-C346 PolarHBondContact O-SG 2.83Å; C346-K348 VanDerWaalsContact C-N 3.26Å; C346-K348 PolarHBondContact O-N 2.75Å; C346-A349 PolarHBondContact O-N 2.9Å; C346-K350 PolarHBondContact O-N 2.78Å |
| 347 | C | 54.1 | Low | 60.8 | Low | 101 Ų | 101 | 115.1 Ų | 115.1 | 68% | 0.682 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.3 | -23.2 | 171.1 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | S345 | S345-C347 PolarHBondContact O-N 3.41Å |
| 348 | K | 53.5 | Low | 59.4 | Low | 179 Ų | 179 | 114.3 Ų | 114.3 | 78% | 0.778 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -86.4 | -26.5 | 171.6 | -62 | -167.2 | 176.1 | -169.1 | 0 | 112.9 | S345 C346 | S345-K348 WeakPolarHBondContact O-CA 3.38Å; S345-K348 WeakPolarHBondContact O-CB 3.43Å; S345-K348 PolarHBondContact O-N 3.4Å; C346-K348 VanDerWaalsContact C-N 3.26Å; C346-K348 PolarHBondContact O-N 2.75Å |
| 349 | A | 51.4 | Low | 57.8 | Low | 68 Ų | 68 | 113.6 Ų | 113.6 | 56% | 0.562 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -81.4 | -16 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S345 C346 L351 | S345-A349 PolarHBondContact O-N 3.39Å; S345-A349 VanDerWaalsContact O-N 3.07Å; C346-A349 PolarHBondContact O-N 2.9Å; A349-L351 VanDerWaalsContact C-N 3.3Å; A349-L351 PolarHBondContact O-N 2.83Å |
| 350 | K | 47.2 | Very low | 56.2 | Low | 197 Ų | 197 | 119.9 Ų | 119.9 | 86% | 0.857 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -1.2 | 177.2 | -80.6 | -171.3 | 174.6 | -171.7 | 0 | 114.9 | C346 | C346-K350 PolarHBondContact O-N 2.78Š|
| 351 | L | 46.7 | Very low | 54.3 | Low | 151 Ų | 151 | 123.4 Ų | 123.4 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 11.4 | 176.3 | -108.2 | 135.8 | 0 | 0 | 0 | 113.9 | A349 | A349-L351 VanDerWaalsContact C-N 3.3Å; A349-L351 PolarHBondContact O-N 2.83Å |
| 352 | R | 43.4 | Very low | 52.5 | Low | 233 Ų | 233 | 125.7 Ų | 125.7 | 88% | 0.879 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -99.7 | 93.5 | 169.4 | -159.2 | 167.1 | 174.2 | 166.6 | -3.2 | 109.4 | ||
| 353 | T | 42.9 | Very low | 50.4 | Low | 133 Ų | 133 | 125.1 Ų | 125.1 | 82% | 0.816 | 70% | 0.703 | S | S | * | * | trans | -49.4 | 137.6 | 172.1 | 14.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 354 | K | 39.1 | Very low | 49.1 | Very low | 191 Ų | 191 | 128.6 Ų | 128.6 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | trans | 28.1 | 129.1 | 158.8 | -105.2 | 177.5 | 174.6 | 178.8 | 0 | 119.6 | ||||
| 355 | P | 44.4 | Very low | 47.4 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 142.3 | 161.1 | 28.5 | -30.4 | 0 | 0 | 0 | 110 | S357 | P355-S357 PolarHBondContact O-N 3.23Š|
| 356 | P | 44.9 | Very low | 45.6 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 131 | 166.5 | -14.2 | 27.9 | 0 | 0 | 0 | 109.1 | A358 | P356-A358 PolarHBondContact O-N 2.8Š|
| 357 | S | 46.2 | Very low | 44.7 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 126.8 | 166 | 40.1 | 0 | 0 | 0 | 0 | 110.6 | P355 | P355-S357 PolarHBondContact O-N 3.23Š|
| 358 | A | 49.4 | Very low | 43.7 | Very low | 92 Ų | 92 | 144 Ų | 144 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63 | 134.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | P356 | P356-A358 PolarHBondContact O-N 2.8Š|
| 359 | P | 46.3 | Very low | 42.7 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 133.8 | 164.3 | -4.7 | 22.6 | 0 | 0 | 0 | 110 | ||
| 360 | H | 46.2 | Very low | 41.8 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 133.7 | 166.5 | -82.1 | -85.6 | 0 | 0 | 0 | 112.2 | ||
| 361 | S | 38.7 | Very low | 41.2 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -129.9 | 110.2 | 157.2 | 60.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 362 | N | 42.3 | Very low | 40.4 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -72.6 | 127.2 | 169.9 | -69 | -27.5 | 0 | 0 | 0 | 109.9 | ||||
| 363 | T | 37.4 | Very low | 39.8 | Very low | 129 Ų | 129 | 130 Ų | 130 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -156.7 | 132.5 | 146 | -28.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 364 | P | 50.4 | Low | 39.3 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -95.5 | 137.5 | -176 | 35.2 | -29.1 | 0 | 0 | 0 | 111.2 | ||||
| 365 | T | 38.3 | Very low | 38.9 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | -138.1 | 96.4 | 162.9 | -44.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 366 | R | 35.9 | Very low | 38.2 | Very low | 224 Ų | 224 | 127.6 Ų | 127.6 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 52.8 | 100.8 | 135.8 | -126.7 | 172.4 | -174.7 | 166.1 | 0.4 | 118.3 | ||||
| 367 | A | 40.9 | Very low | 37.6 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -67.9 | 144.4 | 151.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 368 | L | 33.1 | Very low | 36.8 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -125.1 | 128.2 | 156.3 | -111.5 | 141.7 | 0 | 0 | 0 | 108.3 | ||||
| 369 | S | 31.7 | Very low | 36.2 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -59.1 | 165.7 | -172.9 | 47 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 370 | V | 33.1 | Very low | 35.4 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | -172.4 | 125 | 70.8 | 162.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 371 | T | 33.3 | Very low | 34.5 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | 26.7 | 142.1 | 145.3 | 64.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 372 | G | 30.9 | Very low | 34.1 | Very low | 78 Ų | 78 | 130.6 Ų | 130.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 159.1 | 89.5 | 138.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 373 | S | 30 | Very low | 33.4 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -72.4 | 148.8 | 171.5 | 62.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 374 | T | 32.3 | Very low | 33.2 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | 179 | 135 | 109.9 | 24.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 375 | H | 31.7 | Very low | 32.2 | Very low | 193 Ų | 193 | 133 Ų | 133 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | 61.5 | 129.4 | 146.8 | -98.2 | -85.5 | 0 | 0 | 0 | 122.8 | ||||
| 376 | G | 29.6 | Very low | 31.9 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 129.6 | 99.5 | 142.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 377 | S | 32.4 | Very low | 31.5 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -51.2 | 142.3 | 164.8 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 378 | E | 29.4 | Very low | 31 | Very low | 195 Ų | 195 | 132.8 Ų | 132.8 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | -178 | 155 | 129 | -105.2 | 175.4 | 178.6 | 0 | 0 | 113.3 | |||||
| 379 | I | 36.6 | Very low | 30.9 | Very low | 149 Ų | 149 | 132 Ų | 132 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -73.3 | 143.6 | -178.2 | -67.1 | 159.7 | 0 | 0 | 0 | 110.6 | V381 | I379-V381 HydrophobicContact CG2-CG2 4.13Š| ||
| 380 | S | 28.8 | Very low | 30.9 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -156.4 | 114.8 | 161 | -76.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 381 | V | 28 | Very low | 30.8 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 70% | 0.697 | 79% | 0.793 | S | S | * | * | 66.8 | 100.8 | 51.7 | -174.4 | 0 | 0 | 0 | 0 | 113.1 | I379 | I379-V381 HydrophobicContact CG2-CG2 4.13Š| |||
| 382 | T | 29.9 | Very low | 30.8 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | trans | 63.1 | 132.9 | 156 | 17.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 383 | L | 28.5 | Very low | 31.1 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | -163.6 | 117.5 | 103.4 | -101.3 | 159.1 | 0 | 0 | 0 | 112.3 | |||||
| 384 | L | 32.5 | Very low | 31.4 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | trans | -68.6 | 145.6 | 159 | -81.6 | 154.8 | 0 | 0 | 0 | 109.6 | ||||
| 385 | T | 29.7 | Very low | 31.5 | Very low | 143 Ų | 143 | 148.3 Ų | 148.3 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -147.9 | 92.6 | 144.6 | 10.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 386 | D | 31.1 | Very low | 31.8 | Very low | 143 Ų | 143 | 149.4 Ų | 149.4 | 77% | 0.765 | 82% | 0.824 | S | S | * | * | trans | -74.4 | 133.1 | 152 | -92.3 | -40.6 | 0 | 0 | 0 | 107.8 | ||||
| 387 | Y | 27.7 | Very low | 31.9 | Very low | 208 Ų | 208 | 153.3 Ų | 153.3 | 82% | 0.816 | 83% | 0.828 | S | S | * | * | trans | -124.4 | 105.8 | 165.7 | -159.8 | -105 | 0 | 0 | 0 | 108.8 | I389 | Y387-I389 HydrophobicContact CD1-CD1 4.31Å; Y387-I389 HydrophobicContact CD1-CG1 3.81Å; Y387-I389 HydrophobicContact CE1-CD1 3.72Å; Y387-I389 HydrophobicContact CE1-CG1 3.32Å | ||
| 388 | S | 30.7 | Very low | 31.9 | Very low | 102 Ų | 102 | 155 Ų | 155 | 71% | 0.713 | 83% | 0.827 | S | S | * | * | trans | -112.2 | 115.3 | 171.7 | 37 | 0 | 0 | 0 | 0 | 108 | ||||
| 389 | I | 30.4 | Very low | 32 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 72% | 0.718 | 82% | 0.823 | S | S | * | * | trans | -83.5 | 119.1 | 173 | -61.8 | 177.5 | 0 | 0 | 0 | 107.7 | Y387 | Y387-I389 HydrophobicContact CD1-CD1 4.31Å; Y387-I389 HydrophobicContact CD1-CG1 3.81Å; Y387-I389 HydrophobicContact CE1-CD1 3.72Å; Y387-I389 HydrophobicContact CE1-CG1 3.32Å | ||
| 390 | T | 31.3 | Very low | 31.8 | Very low | 133 Ų | 133 | 153 Ų | 153 | 82% | 0.816 | 83% | 0.826 | S | S | * | * | trans | -116.2 | 155.4 | 162.6 | 31.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 391 | K | 31.7 | Very low | 32 | Very low | 201 Ų | 201 | 155.2 Ų | 155.2 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -65.9 | 155.4 | -158 | -67.6 | 171.5 | 165.4 | -174.4 | 0 | 116.1 | ||||
| 392 | E | 34.5 | Very low | 32.2 | Very low | 190 Ų | 190 | 157.9 Ų | 157.9 | 89% | 0.888 | 84% | 0.835 | S | S | * | * | trans | -57.4 | 137 | 153.5 | -69.6 | 165.9 | 136 | 0 | 0 | 112.5 | ||||
| 393 | E | 37.1 | Very low | 32.4 | Very low | 193 Ų | 193 | 161.4 Ų | 161.4 | 90% | 0.902 | 85% | 0.846 | S | S | * | * | trans | -163.5 | 149.6 | 132.8 | -119.6 | 168.5 | -175.8 | 0 | 0 | 110.1 | ||||
| 394 | E | 34.4 | Very low | 32.7 | Very low | 181 Ų | 181 | 160.7 Ų | 160.7 | 85% | 0.846 | 84% | 0.843 | S | S | * | * | trans | 98.5 | 102.4 | 168.6 | -67.3 | -171.8 | 150.9 | 0 | 0 | 121.2 | ||||
| 395 | S | 35.6 | Very low | 32.7 | Very low | 106 Ų | 106 | 162.9 Ų | 162.9 | 74% | 0.741 | 86% | 0.855 | S | S | * | * | trans | 58.7 | 113.5 | 130.2 | 68.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 396 | V | 38.3 | Very low | 33 | Very low | 215 Ų | 215 | 164.7 Ų | 164.7 | 100% | 1.303 | 85% | 0.853 | S | S | * | * | -178.1 | 0 | 85.4 | 159.1 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 396 of 396 residues in 108.8 ms
(Link to these results)