| 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 | 37.4 | Very low | 32.8 | Very low | 246 Ų | 246 | 162.3 Ų | 162.3 | 100% | 1.212 | 85% | 0.854 | S | S | * | * | 0 | 105.3 | 0 | -78.5 | 173.3 | 169.5 | 0 | 0 | 108 | |||||
| 2 | H | 32.6 | Very low | 32.3 | Very low | 189 Ų | 189 | 164.1 Ų | 164.1 | 88% | 0.875 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 141.3 | 169.8 | -85.6 | -56.4 | 0 | 0 | 0 | 109.3 | ||
| 3 | P | 41.7 | Very low | 31.5 | Very low | 127 Ų | 127 | 156.8 Ų | 156.8 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 130.2 | 161.4 | 20.6 | -5.4 | 0 | 0 | 0 | 110.9 | ||
| 4 | R | 35.1 | Very low | 30.9 | Very low | 241 Ų | 241 | 162.2 Ų | 162.2 | 91% | 0.909 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 150.3 | -178.8 | -68.4 | 173.4 | 170 | 151.6 | -4.5 | 111.7 | ||
| 5 | R | 36.6 | Very low | 30.5 | Very low | 226 Ų | 226 | 167.7 Ų | 167.7 | 85% | 0.853 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 155.1 | 158.9 | -99 | -177.5 | 179.6 | 158.8 | -0.3 | 111.4 | ||
| 6 | P | 38.1 | Very low | 30 | Very low | 126 Ų | 126 | 161.2 Ų | 161.2 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 140.2 | 148.6 | 4.7 | 15.8 | 0 | 0 | 0 | 111.9 | ||
| 7 | D | 31.8 | Very low | 29.7 | Very low | 155 Ų | 155 | 156.6 Ų | 156.6 | 83% | 0.829 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 155.9 | 175.4 | -66.5 | -53.9 | 0 | 0 | 0 | 112.6 | ||
| 8 | G | 29.5 | Very low | 29.4 | Very low | 76 Ų | 76 | 155.5 Ų | 155.5 | 78% | 0.784 | 85% | 0.847 | S | S | * | * | trans | 107.5 | 117.1 | 145.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 9 | F | 25.5 | Very low | 29.1 | Very low | 198 Ų | 198 | 159.3 Ų | 159.3 | 87% | 0.868 | 85% | 0.848 | S | S | * | * | -178.3 | 158.1 | 84 | -162.7 | -103.6 | 0 | 0 | 0 | 112 | |||||
| 10 | D | 28.3 | Very low | 28.9 | Very low | 132 Ų | 132 | 158.2 Ų | 158.2 | 71% | 0.706 | 84% | 0.842 | S | S | * | * | trans | -83.7 | 150.3 | -156.5 | -66.8 | -63.1 | 0 | 0 | 0 | 117.4 | ||||
| 11 | G | 24.7 | Very low | 28.8 | Very low | 69 Ų | 69 | 158.1 Ų | 158.1 | 71% | 0.711 | 84% | 0.841 | S | S | * | * | 76.3 | 105.4 | 112 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 12 | L | 26.1 | Very low | 28.4 | Very low | 184 Ų | 184 | 152 Ų | 152 | 96% | 0.963 | 82% | 0.82 | S | S | * | * | trans | -139.7 | 113.9 | 135.7 | -83 | 177.8 | 0 | 0 | 0 | 109.1 | ||||
| 13 | G | 22.1 | Very low | 27.9 | Very low | 69 Ų | 69 | 147 Ų | 147 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | -103.2 | 162.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 14 | Y | 23.1 | Very low | 27.1 | Very low | 233 Ų | 233 | 151.2 Ų | 151.2 | 91% | 0.914 | 82% | 0.818 | S | S | * | * | trans | 76 | 115.2 | 155.6 | -104.2 | -96 | 0 | 0 | 0 | 120.3 | ||||
| 15 | R | 25.1 | Very low | 26.4 | Very low | 245 Ų | 245 | 143.1 Ų | 143.1 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | -159.7 | 113.7 | 110.2 | -149.9 | 171.2 | -174 | 169.6 | 1.7 | 112 | |||||
| 16 | G | 23 | Very low | 25.7 | Very low | 63 Ų | 63 | 135.7 Ų | 135.7 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | trans | -78.8 | 156.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 17 | G | 23.7 | Very low | 25.2 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -153.7 | 99.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 18 | V | 24.8 | Very low | 24.7 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -86.2 | 140.9 | 169.1 | 168.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 19 | R | 24.8 | Very low | 24.3 | Very low | 228 Ų | 228 | 140.4 Ų | 140.4 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | 174.5 | 143.7 | 152.4 | -104.3 | 170.2 | 170.3 | -172.8 | -1.3 | 107.1 | ||||
| 20 | D | 23.8 | Very low | 24.3 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | cis | -177.7 | 131.8 | -22.3 | -103.5 | -22.1 | 0 | 0 | 0 | 102.9 | ||||
| 21 | D | 26.6 | Very low | 24 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -51.7 | 176.3 | 178.1 | -94.4 | -50.4 | 0 | 0 | 0 | 115.6 | ||||
| 22 | P | 29.9 | Very low | 24 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | cis | -158 | 166.8 | 41.3 | 42.3 | -18.2 | 0 | 0 | 0 | 122.3 | ||||
| 23 | A | 22 | Very low | 23.8 | Very low | 85 Ų | 85 | 141.6 Ų | 141.6 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | 73 | 113.1 | 135.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 24 | F | 23.9 | Very low | 23.8 | Very low | 215 Ų | 215 | 141.4 Ų | 141.4 | 94% | 0.943 | 79% | 0.791 | S | S | * | * | -145.3 | 119.5 | 108.9 | -135.1 | -92.8 | 0 | 0 | 0 | 109.8 | |||||
| 25 | G | 22.2 | Very low | 23.8 | Very low | 70 Ų | 70 | 136.4 Ų | 136.4 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -103.8 | 167.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 26 | G | 21.6 | Very low | 23.8 | Very low | 71 Ų | 71 | 127.7 Ų | 127.7 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | 126.1 | 150.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 27 | P | 26.4 | Very low | 24.1 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | -125.6 | 131.8 | -125 | 34 | -18.6 | 0 | 0 | 0 | 112.9 | |||||
| 28 | F | 21.3 | Very low | 24.1 | Very low | 190 Ų | 190 | 133.6 Ų | 133.6 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | trans | -140.8 | 105.7 | 171.1 | -70.8 | -77.9 | 0 | 0 | 0 | 115.3 | ||||
| 29 | H | 21.5 | Very low | 24.1 | Very low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | 58.6 | 112.1 | 127.4 | -77.9 | -95 | 0 | 0 | 0 | 120.2 | R31 | H29-R31 PolarHBondContact O-N 3.4Š| |||
| 30 | A | 24.8 | Very low | 24.1 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -47.4 | 122.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 31 | R | 22.6 | Very low | 24.1 | Very low | 211 Ų | 211 | 130.6 Ų | 130.6 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -102.1 | 109.7 | 162.7 | -83.4 | -172.9 | 178.9 | 177.4 | 0.3 | 109.3 | H29 F33 | H29-R31 PolarHBondContact O-N 3.4Å; R31-F33 HydrophobicContact CB-CD2 4.39Å; R31-F33 HydrophobicContact CB-CE2 4.1Å | ||
| 32 | S | 23.9 | Very low | 23.9 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -52 | 126.9 | 151.5 | 169.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 33 | F | 23.3 | Very low | 23.6 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 80% | 0.803 | 80% | 0.8 | S | S | * | * | trans | -120 | 109.3 | 155.4 | -82 | -78.7 | 0 | 0 | 0 | 107.2 | R31 | R31-F33 HydrophobicContact CB-CD2 4.39Å; R31-F33 HydrophobicContact CB-CE2 4.1Å | ||
| 34 | G | 21.8 | Very low | 23.7 | Very low | 64 Ų | 64 | 135.7 Ų | 135.7 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | -79.4 | 162.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 35 | S | 23.3 | Very low | 23.8 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | 58.8 | 108.2 | 145.7 | -173.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 36 | G | 25 | Very low | 23.9 | Very low | 63 Ų | 63 | 127.2 Ų | 127.2 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | trans | 104.3 | 111.7 | 139 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 37 | S | 28.6 | Very low | 24.3 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | trans | 46.3 | 99.5 | 151 | 57 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 38 | D | 24.5 | Very low | 24.7 | Very low | 162 Ų | 162 | 123.6 Ų | 123.6 | 87% | 0.866 | 70% | 0.704 | S | S | * | * | trans | 168.9 | 61.4 | 139.4 | -85 | -18.4 | 0 | 0 | 0 | 112.1 | ||||
| 39 | L | 23.9 | Very low | 25.2 | Very low | 186 Ų | 186 | 115.9 Ų | 115.9 | 97% | 0.974 | 67% | 0.671 | S | S | * | * | trans | -143.6 | 105.8 | 169.8 | -133 | 91.9 | 0 | 0 | 0 | 110.2 | ||||
| 40 | G | 24.2 | Very low | 25.6 | Very low | 84 Ų | 84 | 110 Ų | 110 | 87% | 0.866 | 65% | 0.648 | S | S | * | * | trans | 166.1 | 48.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 41 | H | 23.7 | Very low | 26 | Very low | 167 Ų | 167 | 105.6 Ų | 105.6 | 77% | 0.773 | 61% | 0.612 | S | S | * | * | trans | -128.9 | 74.7 | 167.5 | 171.1 | -83.5 | 0 | 0 | 0 | 108.5 | ||||
| 42 | W | 23.5 | Very low | 26.5 | Very low | 231 Ų | 231 | 96.2 Ų | 96.2 | 88% | 0.875 | 58% | 0.578 | S | S | * | * | trans | -159.2 | 73.2 | 168.6 | -79.4 | 104.3 | 0 | 0 | 0 | 109.2 | ||||
| 43 | V | 23 | Very low | 27.1 | Very low | 149 Ų | 149 | 97.4 Ų | 97.4 | 90% | 0.903 | 57% | 0.565 | S | S | * | * | trans | -145.4 | 101.8 | 158.4 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 44 | T | 25.6 | Very low | 27.7 | Very low | 87 Ų | 87 | 89.6 Ų | 89.6 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 134.2 | 176.9 | 45.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 45 | T | 24.7 | Very low | 28.1 | Very low | 62 Ų | 62 | 91.8 Ų | 91.8 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 142.3 | 171.4 | 38 | 0 | 0 | 0 | 0 | 114.1 | H56 | T45-H56 WeakPolarHBondContact CG2-NE2 3.41Š|
| 46 | P | 24.4 | Very low | 28.4 | Very low | 44 Ų | 44 | 91.2 Ų | 91.2 | 29% | 0.286 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 153.4 | 164.9 | -13.9 | 29.3 | 0 | 0 | 0 | 116.8 | D48 I49 L174 | P46-D48 PolarHBondContact O-N 2.88Å; P46-D48 VanDerWaalsContact O-N 3.13Å; P46-I49 HydrophobicContact CB-CD1 4.47Å; P46-L174 HydrophobicContact CB-CD1 4.08Å; P46-L174 HydrophobicContact CB-CD2 3.52Å; P46-L174 HydrophobicContact CB-CG 3.89Å; P46-L174 HydrophobicContact CG-CD2 3.98Å |
| 47 | P | 29.4 | Very low | 28.7 | Very low | 22 Ų | 22 | 95.4 Ų | 95.4 | 14% | 0.143 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -58.9 | 116.2 | 162.8 | -0.6 | 13.6 | 0 | 0 | 0 | 106.4 | I49 T173 L174 E177 | P47-I49 VanDerWaalsContact C-N 3.25Å; P47-I49 PolarHBondContact O-N 3.26Å; P47-T173 HydrophobicContact CB-CG2 4.16Å; P47-T173 HydrophobicContact CG-CG2 3.76Å; P47-L174 HydrophobicContact CG-CB 4.34Å; P47-L174 HydrophobicContact CG-CG 4.08Å; P47-E177 WeakPolarHBondContact CB-OE2 3.2Å |
| 48 | D | 34.6 | Very low | 28.8 | Very low | 78 Ų | 78 | 93.6 Ų | 93.6 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | trans | 21.6 | 57.4 | 151 | -57.4 | -52.7 | 0 | 0 | 0 | 116.6 | P46 K206 Y276 | P46-D48 PolarHBondContact O-N 2.88Å; P46-D48 VanDerWaalsContact O-N 3.13Å; D48-K206 WeakPolarHBondContact OD2-CE 3.33Å; D48-K206 IonicContact OD2-NZ 3.02Å; D48-K206 PolarHBondContact OD2-NZ 3.45Å; D48-Y276 WeakPolarHBondContact OD2-CE2 3.28Å | ||
| 49 | I | 32.2 | Very low | 28.8 | Very low | 28 Ų | 28 | 94.7 Ų | 94.7 | 14% | 0.144 | 51% | 0.506 | C | S | . | . | trans | -75.8 | 126.6 | 154.4 | -57.5 | 174.6 | 0 | 0 | 0 | 105.2 | P46 P47 G51 S52 L110 E113 | P46-I49 HydrophobicContact CB-CD1 4.47Å; P47-I49 VanDerWaalsContact C-N 3.25Å; P47-I49 PolarHBondContact O-N 3.26Å; I49-G51 PolarHBondContact O-N 3.39Å; I49-S52 PolarHBondContact N-OG 3.38Å; I49-S52 WeakPolarHBondContact O-CB 3.49Å; I49-S52 PolarHBondContact O-N 3.38Å; I49-S52 PolarHBondContact O-OG 2.83Å; I49-L110 HydrophobicContact CD1-CD1 3.67Å; I49-L110 HydrophobicContact CG2-CD1 4.32Å; I49-E113 WeakPolarHBondContact CG2-OE2 3.28Å | ||
| 50 | P | 29.8 | Very low | 28.9 | Very low | 39 Ų | 39 | 95.3 Ų | 95.3 | 25% | 0.253 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 117.5 | 172.1 | -11.9 | 22 | 0 | 0 | 0 | 109.2 | E113 N320 | P50-E113 WeakPolarHBondContact CB-OE1 3.42Å; P50-E113 VanDerWaalsContact O-OE1 3.14Å; P50-N320 HydrophobicContact CB-CB 3.81Å |
| 51 | G | 32.9 | Very low | 28.9 | Very low | 7 Ų | 7 | 96.2 Ų | 96.2 | 7% | 0.072 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102.5 | -11.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 117 | I49 R53 N54 N320 | I49-G51 PolarHBondContact O-N 3.39Å; G51-R53 VanDerWaalsContact C-N 3.28Å; G51-R53 PolarHBondContact O-N 3.29Å; G51-N54 PolarHBondContact O-ND2 2.96Å; G51-N320 PolarHBondContact N-ND2 2.86Å |
| 52 | S | 33.1 | Very low | 28.9 | Very low | 14 Ų | 14 | 93.5 Ų | 93.5 | 10% | 0.098 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -70.4 | -18.5 | 176.3 | 57.6 | 0 | 0 | 0 | 0 | 114.7 | I49 N54 L55 | I49-S52 PolarHBondContact N-OG 3.38Å; I49-S52 WeakPolarHBondContact O-CB 3.49Å; I49-S52 PolarHBondContact O-N 3.38Å; I49-S52 PolarHBondContact O-OG 2.83Å; S52-N54 PolarHBondContact O-N 3.23Å; S52-L55 PolarHBondContact O-N 3.32Å |
| 53 | R | 38.2 | Very low | 29 | Very low | 138 Ų | 138 | 89.1 Ų | 89.1 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -64.9 | -16.8 | 177.6 | -71.2 | 170.4 | 65.4 | 99.8 | 10.6 | 114.2 | G51 L55 E316 | G51-R53 VanDerWaalsContact C-N 3.28Å; G51-R53 PolarHBondContact O-N 3.29Å; R53-L55 PolarHBondContact O-N 3.41Å; R53-E316 WeakPolarHBondContact CB-OE1 3.29Å; R53-E316 WeakPolarHBondContact CD-OE1 3.37Å; R53-E316 IonicContact CZ-OE1 2.73Å; R53-E316 IonicContact NE-OE1 3.63Å; R53-E316 PolarHBondContact NE-OE1 3.01Å |
| 54 | N | 35.7 | Very low | 29.2 | Very low | 19 Ų | 19 | 92.6 Ų | 92.6 | 10% | 0.102 | 49% | 0.488 | C | S | . | . | G | 310 helix | trans | -79.7 | 5.7 | -178.9 | -63.4 | -53 | 0 | 0 | 0 | 114.2 | G51 S52 Y313 | G51-N54 PolarHBondContact O-ND2 2.96Å; S52-N54 PolarHBondContact O-N 3.23Å; N54-Y313 HydrophobicContact CB-CD1 4.31Å; N54-Y313 HydrophobicContact CB-CE1 4.43Å |
| 55 | L | 30.5 | Very low | 29.2 | Very low | 111 Ų | 111 | 91.9 Ų | 91.9 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -97.8 | -3.4 | -178.1 | -78.7 | 151 | 0 | 0 | 0 | 114.3 | S52 R53 W57 | S52-L55 PolarHBondContact O-N 3.32Å; R53-L55 PolarHBondContact O-N 3.41Å; L55-W57 PolarHBondContact O-N 3.02Å |
| 56 | H | 29 | Very low | 29.3 | Very low | 116 Ų | 116 | 95.2 Ų | 95.2 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | trans | -85 | 98.7 | 175.8 | -89.8 | -97.7 | 0 | 0 | 0 | 112.3 | T45 E189 | T45-H56 WeakPolarHBondContact CG2-NE2 3.41Å; H56-E189 IonicContact CE1-OE1 3.73Å | ||
| 57 | W | 31.7 | Very low | 29.6 | Very low | 150 Ų | 150 | 98.7 Ų | 98.7 | 57% | 0.568 | 54% | 0.541 | S | S | * | . | trans | -101.9 | 107.8 | 164.1 | -84.5 | 97.8 | 0 | 0 | 0 | 109.1 | L55 R99 M309 Y313 | L55-W57 PolarHBondContact O-N 3.02Å; W57-R99 HydrophobicContact CZ2-CG 4.26Å; W57-M309 HydrophobicContact CH2-CE 4.02Å; W57-M309 HydrophobicContact CZ2-CE 4.22Å; W57-Y313 WeakPolarHBondContact CZ2-OH 3.47Å | ||
| 58 | G | 29.7 | Very low | 29.4 | Very low | 71 Ų | 71 | 103.5 Ų | 103.5 | 73% | 0.732 | 58% | 0.575 | S | S | * | * | trans | 170.4 | -33.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | K60 | G58-K60 PolarHBondContact O-N 3.45Š| ||
| 59 | E | 24.4 | Very low | 29.1 | Very low | 185 Ų | 185 | 104.1 Ų | 104.1 | 86% | 0.864 | 59% | 0.591 | S | S | * | * | trans | -86.4 | 107.8 | 180 | -72.7 | -164.5 | 154.5 | 0 | 0 | 111 | S61 | E59-S61 PolarHBondContact O-N 2.92Å; E59-S61 VanDerWaalsContact O-N 3.16Å | ||
| 60 | K | 25.8 | Very low | 28.9 | Very low | 200 Ų | 200 | 108.5 Ų | 108.5 | 87% | 0.87 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 121.5 | 163.3 | -68.9 | 174.3 | 179.1 | 175.1 | 0 | 108.1 | G58 | G58-K60 PolarHBondContact O-N 3.45Š|
| 61 | S | 24.9 | Very low | 28.8 | Very low | 103 Ų | 103 | 113.1 Ų | 113.1 | 72% | 0.72 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 132 | 164.2 | 33.2 | 0 | 0 | 0 | 0 | 109.3 | E59 T63 | E59-S61 PolarHBondContact O-N 2.92Å; E59-S61 VanDerWaalsContact O-N 3.16Å; S61-T63 PolarHBondContact O-N 2.82Å; S61-T63 VanDerWaalsContact O-N 3.11Å |
| 62 | P | 24.5 | Very low | 28.5 | Very low | 110 Ų | 110 | 119.1 Ų | 119.1 | 71% | 0.714 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 122.2 | 176.1 | 23.4 | -30.5 | 0 | 0 | 0 | 108.2 | Y64 | P62-Y64 PolarHBondContact O-N 2.98Š|
| 63 | T | 25.4 | Very low | 28.3 | Very low | 138 Ų | 138 | 126.5 Ų | 126.5 | 85% | 0.847 | 72% | 0.722 | S | S | * | * | trans | -62.2 | 108.3 | 175.8 | -25.1 | 0 | 0 | 0 | 0 | 107.2 | S61 G65 | S61-T63 PolarHBondContact O-N 2.82Å; S61-T63 VanDerWaalsContact O-N 3.11Å; T63-G65 PolarHBondContact O-N 2.92Å | ||
| 64 | Y | 26.3 | Very low | 27.8 | Very low | 222 Ų | 222 | 129 Ų | 129 | 87% | 0.871 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 134.7 | 170.2 | -97.1 | -93.7 | 0 | 0 | 0 | 108.8 | P62 | P62-Y64 PolarHBondContact O-N 2.98Š|
| 65 | G | 26.1 | Very low | 27.3 | Very low | 73 Ų | 73 | 131.6 Ų | 131.6 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 131.3 | -161.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | T63 | T63-G65 PolarHBondContact O-N 2.92Š|
| 66 | V | 26.9 | Very low | 27.6 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -82 | 134.8 | 151.6 | 179.7 | 0 | 0 | 0 | 0 | 106.6 | S68 | V66-S68 PolarHBondContact O-N 3.04Š|
| 67 | P | 29.6 | Very low | 27.6 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 123.8 | 177.6 | -13 | 26.2 | 0 | 0 | 0 | 109.6 | A69 | P67-A69 PolarHBondContact O-N 3.36Å; P67-A69 VanDerWaalsContact O-N 3.15Å |
| 68 | S | 26.8 | Very low | 27.5 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -66 | 107.1 | 168 | 22.5 | 0 | 0 | 0 | 0 | 109.3 | V66 | V66-S68 PolarHBondContact O-N 3.04Š| ||
| 69 | A | 27.7 | Very low | 27.6 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | trans | -80.9 | 150.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | P67 | P67-A69 PolarHBondContact O-N 3.36Å; P67-A69 VanDerWaalsContact O-N 3.15Å | ||
| 70 | P | 28.7 | Very low | 28.4 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -84.9 | 153.4 | -158.8 | 33.8 | -34.9 | 0 | 0 | 0 | 114.6 | ||||
| 71 | T | 27.6 | Very low | 28.6 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | 19.7 | 121.4 | 151.2 | -27 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 72 | T | 25.1 | Very low | 29.4 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | trans | -53.1 | 136.3 | 168.2 | 45.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 73 | L | 29.3 | Very low | 29.8 | Very low | 169 Ų | 169 | 134 Ų | 134 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | trans | -139.1 | 145.7 | 154.1 | -104.7 | 156.9 | 0 | 0 | 0 | 108.8 | ||||
| 74 | E | 28.6 | Very low | 29.9 | Very low | 192 Ų | 192 | 130.9 Ų | 130.9 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | -64.7 | 156.3 | -160.9 | -59.6 | 171.6 | 124.2 | 0 | 0 | 117.4 | ||||
| 75 | G | 25.7 | Very low | 30 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 161.6 | 130.4 | 159 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 76 | P | 35.5 | Very low | 30.3 | Very low | 129 Ų | 129 | 128 Ų | 128 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -102.8 | 160 | -172.5 | 38.2 | -31.8 | 0 | 0 | 0 | 115.9 | ||||
| 77 | A | 28.9 | Very low | 31 | Very low | 93 Ų | 93 | 127.9 Ų | 127.9 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | 74.9 | 116.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 78 | E | 29.6 | Very low | 31.5 | Very low | 182 Ų | 182 | 127.6 Ų | 127.6 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | 157.7 | 122.4 | 111.5 | -86.3 | -168.2 | 150 | 0 | 0 | 113.5 | |||||
| 79 | E | 31.7 | Very low | 32.3 | Very low | 184 Ų | 184 | 132.9 Ų | 132.9 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | 58 | 157 | 139.4 | -72.1 | -91.6 | 132.7 | 0 | 0 | 123.5 | ||||
| 80 | P | 42.6 | Very low | 33.2 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 57% | 0.571 | 80% | 0.798 | S | S | * | * | trans | -116.1 | 150.3 | -140.9 | 40.1 | -30 | 0 | 0 | 0 | 114.8 | ||||
| 81 | F | 30.1 | Very low | 34 | Very low | 215 Ų | 215 | 128.7 Ų | 128.7 | 94% | 0.943 | 78% | 0.777 | S | S | * | * | trans | -145.8 | 147.1 | 150.9 | -87.2 | -76.5 | 0 | 0 | 0 | 112.6 | ||||
| 82 | P | 40.3 | Very low | 35.1 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | -96.1 | 152.6 | -164.6 | 38 | -31 | 0 | 0 | 0 | 112.1 | ||||
| 83 | G | 32.9 | Very low | 36.6 | Very low | 82 Ų | 82 | 125 Ų | 125 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | 160.5 | 44.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 84 | G | 28.7 | Very low | 38 | Very low | 71 Ų | 71 | 118 Ų | 118 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | trans | -100 | 108.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | D86 | G84-D86 PolarHBondContact O-N 3Š| ||
| 85 | G | 28.5 | Very low | 39.6 | Very low | 74 Ų | 74 | 113.2 Ų | 113.2 | 76% | 0.763 | 70% | 0.703 | S | S | * | * | trans | -58.4 | 122.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V87 | G85-V87 PolarHBondContact O-N 2.85Š| ||
| 86 | D | 32 | Very low | 41.6 | Very low | 160 Ų | 160 | 115.6 Ų | 115.6 | 86% | 0.856 | 70% | 0.695 | S | S | * | * | trans | -59 | 106.2 | 170 | -81.6 | -42.9 | 0 | 0 | 0 | 109.2 | G84 P88 | G84-D86 PolarHBondContact O-N 3Å; D86-P88 WeakPolarHBondContact O-CD 3.46Å | ||
| 87 | V | 41.4 | Very low | 42.9 | Very low | 129 Ų | 129 | 113.8 Ų | 113.8 | 78% | 0.782 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 118.3 | 156.4 | 178.9 | 0 | 0 | 0 | 0 | 105.7 | G85 R89 | G85-V87 PolarHBondContact O-N 2.85Å; V87-R89 PolarHBondContact O-N 3.23Å |
| 88 | P | 40.6 | Very low | 44.7 | Very low | 112 Ų | 112 | 110.2 Ų | 110.2 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 116.2 | -178.1 | -13.3 | 26.4 | 0 | 0 | 0 | 108.3 | D86 P90 | D86-P88 WeakPolarHBondContact O-CD 3.46Å; P88-P90 WeakPolarHBondContact O-CD 3.26Å |
| 89 | R | 42.7 | Very low | 46.6 | Very low | 235 Ų | 235 | 107.6 Ų | 107.6 | 89% | 0.887 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 124.6 | 165.2 | -76.1 | -178.1 | 176.1 | 180 | -0.2 | 107.1 | V87 G91 | V87-R89 PolarHBondContact O-N 3.23Å; R89-G91 PolarHBondContact O-N 3.48Å |
| 90 | P | 45.9 | Very low | 48.4 | Very low | 88 Ų | 88 | 105.9 Ų | 105.9 | 57% | 0.571 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 125.6 | 176.7 | 20.5 | -28.9 | 0 | 0 | 0 | 108.9 | P88 S94 | P88-P90 WeakPolarHBondContact O-CD 3.26Å; P90-S94 WeakPolarHBondContact CB-OG 3.34Å |
| 91 | G | 45.3 | Very low | 49.6 | Very low | 33 Ų | 33 | 102.4 Ų | 102.4 | 34% | 0.34 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 155.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | R89 S93 S94 | R89-G91 PolarHBondContact O-N 3.48Å; G91-S93 PolarHBondContact O-N 2.82Å; G91-S94 PolarHBondContact O-N 3.26Å; G91-S94 PolarHBondContact O-OG 2.9Å |
| 92 | P | 52.3 | Low | 51.5 | Low | 105 Ų | 105 | 92.5 Ų | 92.5 | 68% | 0.682 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -56.7 | -24.9 | -175.1 | 19.9 | -31.7 | 0 | 0 | 0 | 114.5 | Q96 | P92-Q96 WeakPolarHBondContact O-CG 3.49Å; P92-Q96 PolarHBondContact O-N 3.03Å |
| 93 | S | 56.1 | Low | 53 | Low | 88 Ų | 88 | 92.4 Ų | 92.4 | 62% | 0.615 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.1 | -37.5 | 175.3 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | G91 L97 | G91-S93 PolarHBondContact O-N 2.82Å; S93-L97 WeakPolarHBondContact O-CB 3.46Å; S93-L97 PolarHBondContact O-N 3.06Å; S93-L97 VanDerWaalsContact O-N 3.08Å |
| 94 | S | 58.1 | Low | 55 | Low | 22 Ų | 22 | 90.1 Ų | 90.1 | 15% | 0.154 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -70.5 | -37 | 179.8 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | P90 G91 L97 N98 | P90-S94 WeakPolarHBondContact CB-OG 3.34Å; G91-S94 PolarHBondContact O-N 3.26Å; G91-S94 PolarHBondContact O-OG 2.9Å; S94-L97 PolarHBondContact O-N 2.96Å; S94-N98 WeakPolarHBondContact O-CB 3Å; S94-N98 PolarHBondContact O-N 2.97Å; S94-N98 PolarHBondContact O-ND2 2.67Å |
| 95 | E | 63.1 | Low | 57.2 | Low | 91 Ų | 91 | 87.5 Ų | 87.5 | 43% | 0.425 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.1 | -38.5 | 177.5 | -157.7 | -175.3 | 160.9 | 0 | 0 | 111.9 | N98 R99 | E95-N98 PolarHBondContact O-N 3.31Å; E95-R99 WeakPolarHBondContact O-CG 3.22Å; E95-R99 PolarHBondContact O-N 2.85Å; E95-R99 IonicContact OE1-CZ 3.52Å; E95-R99 IonicContact OE1-NE 2.59Å; E95-R99 IonicContact OE1-NH2 3.2Å; E95-R99 PolarHBondContact OE1-NH2 2.63Å |
| 96 | Q | 66.3 | Low | 59.4 | Low | 122 Ų | 122 | 84.7 Ų | 84.7 | 57% | 0.57 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.7 | -48.3 | 173.1 | -73.4 | 176.7 | -19.1 | 0 | 0 | 111.7 | P92 N98 R99 F100 | P92-Q96 WeakPolarHBondContact O-CG 3.49Å; P92-Q96 PolarHBondContact O-N 3.03Å; Q96-N98 PolarHBondContact O-N 2.82Å; Q96-R99 PolarHBondContact O-N 3.48Å; Q96-R99 VanDerWaalsContact O-N 3.13Å; Q96-F100 WeakPolarHBondContact O-CD2 3.36Å; Q96-F100 PolarHBondContact O-N 3.03Å |
| 97 | L | 64.8 | Low | 61.5 | Low | 92 Ų | 92 | 81.7 Ų | 81.7 | 48% | 0.482 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.8 | -37.9 | 177.5 | -170.9 | 65.8 | 0 | 0 | 0 | 111.7 | S93 S94 F100 A101 M306 | S93-L97 WeakPolarHBondContact O-CB 3.46Å; S93-L97 PolarHBondContact O-N 3.06Å; S93-L97 VanDerWaalsContact O-N 3.08Å; S94-L97 PolarHBondContact O-N 2.96Å; L97-F100 PolarHBondContact O-N 2.79Å; L97-A101 WeakPolarHBondContact O-CB 3.3Å; L97-A101 PolarHBondContact O-N 3.37Å; L97-M306 HydrophobicContact CD2-CE 4.25Å |
| 98 | N | 65.4 | Low | 63.2 | Low | 17 Ų | 17 | 77.2 Ų | 77.2 | 9% | 0.091 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.1 | -38.6 | 176.2 | -71 | -23.8 | 0 | 0 | 0 | 113.3 | S94 E95 Q96 A101 G102 M306 M309 | S94-N98 WeakPolarHBondContact O-CB 3Å; S94-N98 PolarHBondContact O-N 2.97Å; S94-N98 PolarHBondContact O-ND2 2.67Å; E95-N98 PolarHBondContact O-N 3.31Å; Q96-N98 PolarHBondContact O-N 2.82Å; N98-A101 WeakPolarHBondContact O-CB 3.38Å; N98-A101 PolarHBondContact O-N 3.45Å; N98-G102 PolarHBondContact O-N 3.4Å; N98-G102 VanDerWaalsContact O-N 3.1Å; N98-M306 WeakPolarHBondContact OD1-CE 3.44Å; N98-M309 HydrophobicContact CB-CE 4.01Å |
| 99 | R | 68.9 | Low | 65 | Low | 127 Ų | 127 | 72.2 Ų | 72.2 | 48% | 0.479 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 175 | -70.3 | 173.2 | -172.5 | -163.9 | 4.8 | 111.5 | W57 E95 Q96 A101 G102 F103 | W57-R99 HydrophobicContact CZ2-CG 4.26Å; E95-R99 WeakPolarHBondContact O-CG 3.22Å; E95-R99 PolarHBondContact O-N 2.85Å; E95-R99 IonicContact OE1-CZ 3.52Å; E95-R99 IonicContact OE1-NE 2.59Å; E95-R99 IonicContact OE1-NH2 3.2Å; E95-R99 PolarHBondContact OE1-NH2 2.63Å; Q96-R99 PolarHBondContact O-N 3.48Å; Q96-R99 VanDerWaalsContact O-N 3.13Å; R99-A101 VanDerWaalsContact C-N 3.29Å; R99-A101 PolarHBondContact O-N 3.26Å; R99-G102 PolarHBondContact O-N 3.35Å; R99-F103 WeakPolarHBondContact O-CB 3.26Å; R99-F103 PolarHBondContact O-N 2.66Å; R99-F103 VanDerWaalsContact O-N 3.08Å |
| 100 | F | 71 | Confident | 66.7 | Low | 148 Ų | 148 | 64.3 Ų | 64.3 | 65% | 0.649 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.9 | -36.9 | 174.3 | -79.8 | -66.9 | 0 | 0 | 0 | 112.3 | Q96 L97 G104 | Q96-F100 WeakPolarHBondContact O-CD2 3.36Å; Q96-F100 PolarHBondContact O-N 3.03Å; L97-F100 PolarHBondContact O-N 2.79Å; F100-G104 PolarHBondContact O-N 2.8Å |
| 101 | A | 67.4 | Low | 68.5 | Low | 16 Ų | 16 | 65.1 Ų | 65.1 | 13% | 0.132 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.4 | -50.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L97 N98 R99 F103 G104 I105 Y410 | L97-A101 WeakPolarHBondContact O-CB 3.3Å; L97-A101 PolarHBondContact O-N 3.37Å; N98-A101 WeakPolarHBondContact O-CB 3.38Å; N98-A101 PolarHBondContact O-N 3.45Å; R99-A101 VanDerWaalsContact C-N 3.29Å; R99-A101 PolarHBondContact O-N 3.26Å; A101-F103 VanDerWaalsContact C-N 3.31Å; A101-F103 PolarHBondContact O-N 3.01Å; A101-G104 PolarHBondContact O-N 3.22Å; A101-I105 WeakPolarHBondContact O-CB 3.42Å; A101-I105 VanDerWaalsContact O-CG1 3.22Å; A101-I105 WeakPolarHBondContact O-CG1 3.35Å; A101-I105 PolarHBondContact O-N 3.45Å; A101-Y410 HydrophobicContact CB-CD2 4.02Å; A101-Y410 HydrophobicContact CB-CE2 3.19Å |
| 102 | G | 69.4 | Low | 70.4 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 7% | 0.072 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N98 R99 G106 | N98-G102 PolarHBondContact O-N 3.4Å; N98-G102 VanDerWaalsContact O-N 3.1Å; R99-G102 PolarHBondContact O-N 3.35Å; G102-G106 PolarHBondContact O-N 2.75Å |
| 103 | F | 73 | Confident | 71.8 | Confident | 122 Ų | 122 | 59.8 Ų | 59.8 | 54% | 0.535 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 174.2 | 177.2 | -100.8 | 0 | 0 | 0 | 112.4 | R99 A101 I105 G106 L107 | R99-F103 WeakPolarHBondContact O-CB 3.26Å; R99-F103 PolarHBondContact O-N 2.66Å; R99-F103 VanDerWaalsContact O-N 3.08Å; A101-F103 VanDerWaalsContact C-N 3.31Å; A101-F103 PolarHBondContact O-N 3.01Å; F103-I105 VanDerWaalsContact C-N 3.34Å; F103-I105 PolarHBondContact O-N 3.14Å; F103-G106 PolarHBondContact O-N 3.31Å; F103-L107 HydrophobicContact CE1-CD2 4.29Å; F103-L107 WeakPolarHBondContact O-CB 3.39Å; F103-L107 PolarHBondContact O-N 2.8Å |
| 104 | G | 74.6 | Confident | 73.1 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 35% | 0.351 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F100 A101 A108 | F100-G104 PolarHBondContact O-N 2.8Å; A101-G104 PolarHBondContact O-N 3.22Å; G104-A108 VanDerWaalsContact O-CB 3.26Å; G104-A108 WeakPolarHBondContact O-CB 3.36Å; G104-A108 PolarHBondContact O-N 3.16Å |
| 105 | I | 74.5 | Confident | 74.6 | Confident | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.077 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 176.8 | -66 | 166.5 | 0 | 0 | 0 | 110.9 | A101 F103 A108 S109 F314 L317 T406 | A101-I105 WeakPolarHBondContact O-CB 3.42Å; A101-I105 VanDerWaalsContact O-CG1 3.22Å; A101-I105 WeakPolarHBondContact O-CG1 3.35Å; A101-I105 PolarHBondContact O-N 3.45Å; F103-I105 VanDerWaalsContact C-N 3.34Å; F103-I105 PolarHBondContact O-N 3.14Å; I105-A108 PolarHBondContact O-N 3.27Å; I105-S109 WeakPolarHBondContact O-CB 3.28Å; I105-S109 PolarHBondContact O-N 3.06Å; I105-F314 HydrophobicContact CD1-CE2 4.21Å; I105-L317 HydrophobicContact CG2-CD1 3.27Å; I105-L317 HydrophobicContact CG2-CD2 4.47Å; I105-L317 HydrophobicContact CG2-CG 4.47Å; I105-T406 HydrophobicContact CG1-CG2 3.89Å; I105-T406 HydrophobicContact CG2-CG2 4.49Å |
| 106 | G | 73.7 | Confident | 75.9 | Confident | 16 Ų | 16 | 55.7 Ų | 55.7 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | G102 F103 S109 L110 | G102-G106 PolarHBondContact O-N 2.75Å; F103-G106 PolarHBondContact O-N 3.31Å; G106-S109 WeakPolarHBondContact O-CB 3.48Å; G106-S109 PolarHBondContact O-N 2.86Å; G106-L110 PolarHBondContact O-N 3.31Å |
| 107 | L | 77.5 | Confident | 77 | Confident | 97 Ų | 97 | 50.1 Ų | 50.1 | 51% | 0.508 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 177.2 | -175 | 65.3 | 0 | 0 | 0 | 112.1 | F103 S109 L110 F111 | F103-L107 HydrophobicContact CE1-CD2 4.29Å; F103-L107 WeakPolarHBondContact O-CB 3.39Å; F103-L107 PolarHBondContact O-N 2.8Å; L107-S109 VanDerWaalsContact C-N 3.33Å; L107-S109 PolarHBondContact O-N 3.09Å; L107-L110 PolarHBondContact O-N 3.37Å; L107-F111 WeakPolarHBondContact O-CB 3.35Å; L107-F111 PolarHBondContact O-N 3.41Å |
| 108 | A | 77.6 | Confident | 78.4 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 28% | 0.281 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G104 I105 T112 | G104-A108 VanDerWaalsContact O-CB 3.26Å; G104-A108 WeakPolarHBondContact O-CB 3.36Å; G104-A108 PolarHBondContact O-N 3.16Å; I105-A108 PolarHBondContact O-N 3.27Å; A108-T112 VanDerWaalsContact O-CB 3.3Å; A108-T112 WeakPolarHBondContact O-CB 3.39Å; A108-T112 PolarHBondContact O-N 2.84Å; A108-T112 PolarHBondContact O-OG1 3.4Å |
| 109 | S | 77.8 | Confident | 79.8 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 6% | 0.056 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -50.4 | 174.1 | -162.3 | 0 | 0 | 0 | 0 | 110.8 | I105 G106 L107 F111 T112 E113 | I105-S109 WeakPolarHBondContact O-CB 3.28Å; I105-S109 PolarHBondContact O-N 3.06Å; G106-S109 WeakPolarHBondContact O-CB 3.48Å; G106-S109 PolarHBondContact O-N 2.86Å; L107-S109 VanDerWaalsContact C-N 3.33Å; L107-S109 PolarHBondContact O-N 3.09Å; S109-F111 PolarHBondContact O-N 3.12Å; S109-T112 WeakPolarHBondContact O-CB 3.49Å; S109-T112 PolarHBondContact O-N 3.34Å; S109-T112 VanDerWaalsContact O-N 3.14Å; S109-E113 WeakPolarHBondContact O-CG 3.42Å; S109-E113 PolarHBondContact O-N 2.89Å |
| 110 | L | 77.8 | Confident | 81.1 | Confident | 68 Ų | 68 | 39.5 Ų | 39.5 | 36% | 0.356 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.3 | -41.4 | -179.4 | -171.5 | 121.3 | 0 | 0 | 0 | 112.5 | I49 G106 L107 T112 N114 | I49-L110 HydrophobicContact CD1-CD1 3.67Å; I49-L110 HydrophobicContact CG2-CD1 4.32Å; G106-L110 PolarHBondContact O-N 3.31Å; L107-L110 PolarHBondContact O-N 3.37Å; L110-T112 VanDerWaalsContact C-N 3.34Å; L110-N114 WeakPolarHBondContact O-CB 3.43Å; L110-N114 PolarHBondContact O-N 2.96Å; L110-N114 VanDerWaalsContact O-N 3.11Å; L110-N114 PolarHBondContact O-ND2 3.42Å |
| 111 | F | 83.8 | Confident | 82.1 | Confident | 105 Ų | 105 | 34 Ų | 34 | 46% | 0.461 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 175.6 | -173.5 | -95.5 | 0 | 0 | 0 | 111.5 | L107 S109 V115 L116 | L107-F111 WeakPolarHBondContact O-CB 3.35Å; L107-F111 PolarHBondContact O-N 3.41Å; S109-F111 PolarHBondContact O-N 3.12Å; F111-V115 HydrophobicContact CD1-CB 4.42Å; F111-V115 HydrophobicContact CD2-CB 3.9Å; F111-V115 HydrophobicContact CD2-CG1 4.31Å; F111-V115 HydrophobicContact CD2-CG2 3.7Å; F111-V115 HydrophobicContact CE1-CB 4.31Å; F111-V115 HydrophobicContact CE1-CG1 4.26Å; F111-V115 HydrophobicContact CE2-CB 3.78Å; F111-V115 HydrophobicContact CE2-CG1 3.66Å; F111-V115 HydrophobicContact CE2-CG2 3.79Å; F111-V115 HydrophobicContact CG-CB 4.23Å; F111-V115 HydrophobicContact CG-CG2 4.35Å; F111-V115 HydrophobicContact CZ-CB 3.99Å; F111-V115 HydrophobicContact CZ-CG1 3.63Å; F111-V115 WeakPolarHBondContact O-CA 3.38Å; F111-V115 VanDerWaalsContact O-CB 3.26Å; F111-V115 WeakPolarHBondContact O-CB 3.35Å; F111-V115 PolarHBondContact O-N 3.01Å; F111-L116 HydrophobicContact CD1-CD1 3.89Å; F111-L116 HydrophobicContact CD1-CG 3.82Å; F111-L116 HydrophobicContact CE1-CD1 3.93Å; F111-L116 HydrophobicContact CE1-CD2 3.81Å; F111-L116 HydrophobicContact CE1-CG 3.61Å; F111-L116 PolarHBondContact O-N 3.48Å; F111-L116 VanDerWaalsContact O-N 3.13Å |
| 112 | T | 84.7 | Confident | 83.4 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -64.2 | -47.9 | 178.4 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | A108 S109 L110 A117 H399 I402 | A108-T112 VanDerWaalsContact O-CB 3.3Å; A108-T112 WeakPolarHBondContact O-CB 3.39Å; A108-T112 PolarHBondContact O-N 2.84Å; A108-T112 PolarHBondContact O-OG1 3.4Å; S109-T112 WeakPolarHBondContact O-CB 3.49Å; S109-T112 PolarHBondContact O-N 3.34Å; S109-T112 VanDerWaalsContact O-N 3.14Å; L110-T112 VanDerWaalsContact C-N 3.34Å; T112-A117 WeakPolarHBondContact O-CB 3.29Å; T112-A117 PolarHBondContact O-N 3.09Å; T112-H399 HydrophobicContact CG2-CB 4.08Å; T112-I402 HydrophobicContact CG2-CB 4.31Å; T112-I402 HydrophobicContact CG2-CD1 3.44Å; T112-I402 VanDerWaalsContact CG2-CD1 3.44Å; T112-I402 HydrophobicContact CG2-CG1 4.47Å; T112-I402 HydrophobicContact CG2-CG2 4.49Å; T112-I402 WeakPolarHBondContact OG1-CG2 3.39Å |
| 113 | E | 81.8 | Confident | 84.5 | Confident | 23 Ų | 23 | 33 Ų | 33 | 11% | 0.107 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -68.8 | -35.1 | -177.5 | -70.9 | -178.8 | 168 | 0 | 0 | 113.6 | I49 P50 S109 A117 H399 | I49-E113 WeakPolarHBondContact CG2-OE2 3.28Å; P50-E113 WeakPolarHBondContact CB-OE1 3.42Å; P50-E113 VanDerWaalsContact O-OE1 3.14Å; S109-E113 WeakPolarHBondContact O-CG 3.42Å; S109-E113 PolarHBondContact O-N 2.89Å; E113-A117 WeakPolarHBondContact O-CB 3.48Å; E113-H399 VanDerWaalsContact CG-CE1 3.49Å; E113-H399 WeakPolarHBondContact CG-CE1 3.02Å; E113-H399 IonicContact OE1-CE1 2.73Å; E113-H399 PolarHBondContact OE1-CE1 2.96Å; E113-H399 IonicContact OE1-NE2 3.6Å |
| 114 | N | 83.9 | Confident | 85.6 | Confident | 19 Ų | 19 | 27.7 Ų | 27.7 | 10% | 0.102 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -106.1 | -28.2 | -170.8 | -62.1 | -64.8 | 0 | 0 | 0 | 113.9 | L110 F167 Q170 | L110-N114 WeakPolarHBondContact O-CB 3.43Å; L110-N114 PolarHBondContact O-N 2.96Å; L110-N114 VanDerWaalsContact O-N 3.11Å; L110-N114 PolarHBondContact O-ND2 3.42Å; N114-F167 HydrophobicContact CB-CE1 3.73Å; N114-F167 HydrophobicContact CB-CZ 3.91Å; N114-Q170 PolarHBondContact OD1-NE2 3.15Å |
| 115 | V | 89.7 | Confident | 86.6 | Confident | 32 Ų | 32 | 27.8 Ų | 27.8 | 19% | 0.194 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -105.4 | -54.5 | -176.6 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | F111 H118 W160 M163 F167 | F111-V115 HydrophobicContact CD1-CB 4.42Å; F111-V115 HydrophobicContact CD2-CB 3.9Å; F111-V115 HydrophobicContact CD2-CG1 4.31Å; F111-V115 HydrophobicContact CD2-CG2 3.7Å; F111-V115 HydrophobicContact CE1-CB 4.31Å; F111-V115 HydrophobicContact CE1-CG1 4.26Å; F111-V115 HydrophobicContact CE2-CB 3.78Å; F111-V115 HydrophobicContact CE2-CG1 3.66Å; F111-V115 HydrophobicContact CE2-CG2 3.79Å; F111-V115 HydrophobicContact CG-CB 4.23Å; F111-V115 HydrophobicContact CG-CG2 4.35Å; F111-V115 HydrophobicContact CZ-CB 3.99Å; F111-V115 HydrophobicContact CZ-CG1 3.63Å; F111-V115 WeakPolarHBondContact O-CA 3.38Å; F111-V115 VanDerWaalsContact O-CB 3.26Å; F111-V115 WeakPolarHBondContact O-CB 3.35Å; F111-V115 PolarHBondContact O-N 3.01Å; V115-H118 WeakPolarHBondContact O-CB 3.49Å; V115-H118 PolarHBondContact O-N 3.41Å; V115-W160 PolarHBondContact O-NE1 2.88Å; V115-M163 HydrophobicContact CB-CE 4.01Å; V115-M163 HydrophobicContact CG1-CE 3.81Å; V115-M163 HydrophobicContact CG2-CE 4.08Å; V115-F167 HydrophobicContact CG2-CZ 4.03Å |
| 116 | L | 90.4 | Very high | 87.5 | Confident | 64 Ų | 64 | 27 Ų | 27 | 34% | 0.335 | 15% | 0.146 | S | C | . | . | I | π-helix | trans | -73.8 | -35.1 | -175.7 | -65.2 | 176.7 | 0 | 0 | 0 | 112.6 | F111 H118 P119 L398 I402 | F111-L116 HydrophobicContact CD1-CD1 3.89Å; F111-L116 HydrophobicContact CD1-CG 3.82Å; F111-L116 HydrophobicContact CE1-CD1 3.93Å; F111-L116 HydrophobicContact CE1-CD2 3.81Å; F111-L116 HydrophobicContact CE1-CG 3.61Å; F111-L116 PolarHBondContact O-N 3.48Å; F111-L116 VanDerWaalsContact O-N 3.13Å; L116-H118 VanDerWaalsContact C-N 3.32Å; L116-P119 WeakPolarHBondContact O-CD 3.43Å; L116-L398 HydrophobicContact CB-CD2 4.14Å; L116-I402 HydrophobicContact CD1-CD1 3.54Å |
| 117 | A | 90.5 | Very high | 88.5 | Confident | 4 Ų | 4 | 26.4 Ų | 26.4 | 3% | 0.033 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -77.5 | -14.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T112 E113 C120 I121 Q395 | T112-A117 WeakPolarHBondContact O-CB 3.29Å; T112-A117 PolarHBondContact O-N 3.09Å; E113-A117 WeakPolarHBondContact O-CB 3.48Å; A117-C120 WeakPolarHBondContact O-CA 3.47Å; A117-C120 VanDerWaalsContact O-CB 3.31Å; A117-C120 WeakPolarHBondContact O-CB 3.37Å; A117-C120 PolarHBondContact O-N 3.24Å; A117-I121 PolarHBondContact O-N 3.21Å; A117-I121 VanDerWaalsContact O-N 3.1Å; A117-Q395 HydrophobicContact CB-CG 3.84Å |
| 118 | H | 93.2 | Very high | 89.4 | Confident | 3 Ų | 3 | 21.8 Ų | 21.8 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.5 | -41.2 | -172.3 | -166.5 | 86.3 | 0 | 0 | 0 | 114.6 | V115 L116 C120 I121 V122 W160 K161 M163 | V115-H118 WeakPolarHBondContact O-CB 3.49Å; V115-H118 PolarHBondContact O-N 3.41Å; L116-H118 VanDerWaalsContact C-N 3.32Å; H118-C120 PolarHBondContact O-N 2.99Å; H118-I121 WeakPolarHBondContact O-CB 3.33Å; H118-I121 PolarHBondContact O-N 2.87Å; H118-V122 VanDerWaalsContact NE2-CG2 3.32Å; H118-V122 WeakPolarHBondContact NE2-CG2 3.16Å; H118-V122 PolarHBondContact O-N 3.21Å; H118-W160 AromaticContact CD2-CD1 3.83Å; H118-K161 PolarHBondContact NE2-O 3.48Å; H118-M163 HydrophobicContact CB-CE 3.95Å; H118-M163 VanDerWaalsContact CE1-CA 3.46Å; H118-M163 WeakPolarHBondContact CE1-CA 3.42Å |
| 119 | P | 94.9 | Very high | 90.2 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 4% | 0.039 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55 | -38.2 | 172.4 | -30.1 | 38.9 | 0 | 0 | 0 | 114 | L116 L123 M147 L159 W160 | L116-P119 WeakPolarHBondContact O-CD 3.43Å; P119-L123 WeakPolarHBondContact O-CB 3.24Å; P119-L123 PolarHBondContact O-N 3.35Å; P119-M147 HydrophobicContact CB-CE 3.72Å; P119-L159 WeakPolarHBondContact CA-O 3.38Å; P119-L159 HydrophobicContact CB-CB 3.97Å; P119-L159 HydrophobicContact CB-CD1 4.49Å; P119-L159 HydrophobicContact CG-CB 4.12Å; P119-W160 HydrophobicContact CG-CD2 4Å; P119-W160 HydrophobicContact CG-CE3 4.07Å; P119-W160 HydrophobicContact CG-CH2 3.49Å; P119-W160 VanDerWaalsContact CG-CH2 3.49Å; P119-W160 HydrophobicContact CG-CZ2 3.37Å; P119-W160 HydrophobicContact CG-CZ3 3.83Å |
| 120 | C | 95.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 20 Ų | 20 | 3% | 0.027 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -71 | -38.6 | 177.6 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | A117 H118 R124 A391 Q395 | A117-C120 WeakPolarHBondContact O-CA 3.47Å; A117-C120 VanDerWaalsContact O-CB 3.31Å; A117-C120 WeakPolarHBondContact O-CB 3.37Å; A117-C120 PolarHBondContact O-N 3.24Å; H118-C120 PolarHBondContact O-N 2.99Å; C120-R124 WeakPolarHBondContact O-CB 3.14Å; C120-R124 PolarHBondContact O-N 3.42Å; C120-A391 HydrophobicContact CB-CB 4.44Å; C120-Q395 HydrophobicContact CB-CB 3.76Å |
| 121 | I | 92.9 | Very high | 91.3 | Very high | 32 Ų | 32 | 20.1 Ų | 20.1 | 16% | 0.164 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.7 | -47.9 | 176.1 | -63 | 171.5 | 0 | 0 | 0 | 110.6 | A117 H118 R124 R125 | A117-I121 PolarHBondContact O-N 3.21Å; A117-I121 VanDerWaalsContact O-N 3.1Å; H118-I121 WeakPolarHBondContact O-CB 3.33Å; H118-I121 PolarHBondContact O-N 2.87Å; I121-R124 PolarHBondContact O-N 3.12Å; I121-R125 WeakPolarHBondContact O-CB 3.33Å; I121-R125 VanDerWaalsContact O-CG 3.26Å; I121-R125 WeakPolarHBondContact O-CG 3.42Å; I121-R125 PolarHBondContact O-N 3.25Å |
| 122 | V | 94.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.018 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.7 | -51.4 | 177.8 | 165.8 | 0 | 0 | 0 | 0 | 110.5 | H118 R124 R125 Q126 K161 | H118-V122 VanDerWaalsContact NE2-CG2 3.32Å; H118-V122 WeakPolarHBondContact NE2-CG2 3.16Å; H118-V122 PolarHBondContact O-N 3.21Å; V122-R124 PolarHBondContact O-N 3Å; V122-R125 PolarHBondContact O-N 3.48Å; V122-Q126 VanDerWaalsContact O-CG 3.29Å; V122-Q126 WeakPolarHBondContact O-CG 3.42Å; V122-Q126 PolarHBondContact O-N 3.45Å; V122-K161 HydrophobicContact CG1-CD 4.28Å; V122-K161 HydrophobicContact CG1-CG 3.89Å; V122-K161 HydrophobicContact CG2-CG 4.21Å |
| 123 | L | 94.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.7 | -37.5 | -176.7 | -174.3 | 52.8 | 0 | 0 | 0 | 112.5 | P119 Q126 C127 V143 I146 M147 F150 T353 | P119-L123 WeakPolarHBondContact O-CB 3.24Å; P119-L123 PolarHBondContact O-N 3.35Å; L123-Q126 PolarHBondContact O-N 3.19Å; L123-C127 PolarHBondContact O-N 3.07Å; L123-C127 PolarHBondContact O-SG 2.97Å; L123-V143 HydrophobicContact CD2-CB 4.39Å; L123-V143 HydrophobicContact CD2-CG1 3.3Å; L123-V143 HydrophobicContact CG-CG1 4.08Å; L123-I146 HydrophobicContact CD1-CG2 3.76Å; L123-I146 HydrophobicContact CD2-CB 4.33Å; L123-I146 HydrophobicContact CD2-CG2 4.3Å; L123-M147 HydrophobicContact CD2-CG 3.32Å; L123-M147 HydrophobicContact CD2-SD 4.28Å; L123-F150 HydrophobicContact CD1-CD2 4.48Å; L123-F150 HydrophobicContact CD1-CE2 3.9Å; L123-T353 HydrophobicContact CD1-CG2 4.2Å |
| 124 | R | 95.1 | Very high | 92 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 4% | 0.038 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.2 | -53.4 | 171.1 | -179.7 | -169.4 | 179.5 | 177.1 | 0.4 | 110.8 | C120 I121 V122 Q126 C127 Q128 D328 Y332 E335 A391 V392 | C120-R124 WeakPolarHBondContact O-CB 3.14Å; C120-R124 PolarHBondContact O-N 3.42Å; I121-R124 PolarHBondContact O-N 3.12Å; V122-R124 PolarHBondContact O-N 3Å; R124-Q126 VanDerWaalsContact C-N 3.31Å; R124-Q126 PolarHBondContact O-N 3.27Å; R124-C127 PolarHBondContact O-N 3.32Å; R124-Q128 VanDerWaalsContact O-CG 3.31Å; R124-Q128 WeakPolarHBondContact O-CG 3.41Å; R124-Q128 PolarHBondContact O-N 2.6Å; R124-D328 IonicContact NH1-OD2 3.98Å; R124-Y332 HydrophobicContact CG-CE2 4.31Å; R124-Y332 VanDerWaalsContact NH2-CE2 3.25Å; R124-E335 VanDerWaalsContact CZ-CD 3.48Å; R124-E335 IonicContact CZ-OE1 2.79Å; R124-E335 IonicContact CZ-OE2 2.79Å; R124-E335 IonicContact NE-OE1 2.75Å; R124-E335 PolarHBondContact NE-OE1 2.73Å; R124-E335 IonicContact NH1-OE1 2.81Å; R124-E335 PolarHBondContact NH1-OE1 3.47Å; R124-E335 IonicContact NH1-OE2 3.83Å; R124-E335 IonicContact NH2-OE1 3.02Å; R124-E335 PolarHBondContact NH2-OE1 2.95Å; R124-E335 IonicContact NH2-OE2 2.76Å; R124-E335 PolarHBondContact NH2-OE2 2.76Å; R124-A391 HydrophobicContact CB-CB 3.98Å; R124-V392 HydrophobicContact CG-CG2 4.32Å |
| 125 | R | 94.9 | Very high | 92.3 | Very high | 35 Ų | 35 | 34.2 Ų | 34.2 | 13% | 0.132 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | -179.3 | -72.1 | 171.5 | 177.2 | 178.2 | 5.9 | 111.5 | I121 V122 Q128 V129 L221 T224 V225 | I121-R125 WeakPolarHBondContact O-CB 3.33Å; I121-R125 VanDerWaalsContact O-CG 3.26Å; I121-R125 WeakPolarHBondContact O-CG 3.42Å; I121-R125 PolarHBondContact O-N 3.25Å; V122-R125 PolarHBondContact O-N 3.48Å; R125-Q128 PolarHBondContact O-N 2.87Å; R125-V129 WeakPolarHBondContact O-CG2 3.35Å; R125-V129 PolarHBondContact O-N 3.42Å; R125-V129 VanDerWaalsContact O-N 3.1Å; R125-L221 HydrophobicContact CB-CD1 4.45Å; R125-L221 HydrophobicContact CG-CD1 4.17Å; R125-T224 WeakPolarHBondContact CD-OG1 3.38Å; R125-T224 PolarHBondContact NH1-OG1 3.06Å; R125-T224 VanDerWaalsContact NH1-OG1 3.13Å; R125-V225 HydrophobicContact CB-CG1 3.57Å |
| 126 | Q | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.1 | -49.6 | 175 | -73.4 | -72.5 | 42.5 | 0 | 0 | 112.6 | V122 L123 R124 Q128 V129 N130 V225 D351 T353 | V122-Q126 VanDerWaalsContact O-CG 3.29Å; V122-Q126 WeakPolarHBondContact O-CG 3.42Å; V122-Q126 PolarHBondContact O-N 3.45Å; L123-Q126 PolarHBondContact O-N 3.19Å; R124-Q126 VanDerWaalsContact C-N 3.31Å; R124-Q126 PolarHBondContact O-N 3.27Å; Q126-Q128 VanDerWaalsContact C-N 3.32Å; Q126-Q128 PolarHBondContact O-N 2.81Å; Q126-V129 WeakPolarHBondContact O-CG2 3.25Å; Q126-V129 PolarHBondContact O-N 2.97Å; Q126-N130 WeakPolarHBondContact O-CB 3.47Å; Q126-N130 PolarHBondContact O-N 3.18Å; Q126-V225 PolarHBondContact NE2-O 2.8Å; Q126-V225 VanDerWaalsContact OE1-CB 3.27Å; Q126-V225 PolarHBondContact OE1-O 3.32Å; Q126-D351 PolarHBondContact NE2-OD2 3.37Å; Q126-T353 HydrophobicContact CB-CG2 3.84Å |
| 127 | C | 94.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61 | -42.4 | 177.5 | -67.5 | 0 | 0 | 0 | 0 | 111.6 | L123 R124 V129 N130 K387 G388 | L123-C127 PolarHBondContact O-N 3.07Å; L123-C127 PolarHBondContact O-SG 2.97Å; R124-C127 PolarHBondContact O-N 3.32Å; C127-V129 VanDerWaalsContact C-N 3.33Å; C127-V129 PolarHBondContact O-N 2.89Å; C127-N130 PolarHBondContact O-N 3.15Å; C127-K387 HydrophobicContact CB-CB 4.39Å; C127-K387 WeakPolarHBondContact O-CB 3.09Å; C127-G388 VanDerWaalsContact CB-CA 3.46Å |
| 128 | Q | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.2 | -37.5 | -178.6 | -73.6 | 171.5 | -43.6 | 0 | 0 | 112.7 | R124 R125 Q126 Y332 T336 H339 R340 K387 | R124-Q128 VanDerWaalsContact O-CG 3.31Å; R124-Q128 WeakPolarHBondContact O-CG 3.41Å; R124-Q128 PolarHBondContact O-N 2.6Å; R125-Q128 PolarHBondContact O-N 2.87Å; Q126-Q128 VanDerWaalsContact C-N 3.32Å; Q126-Q128 PolarHBondContact O-N 2.81Å; Q128-Y332 HydrophobicContact CG-CE1 4.28Å; Q128-T336 HydrophobicContact CB-CG2 4.2Å; Q128-T336 HydrophobicContact CG-CG2 4.33Å; Q128-T336 PolarHBondContact NE2-OG1 2.88Å; Q128-H339 PolarHBondContact OE1-CE1 3.27Å; Q128-H339 PolarHBondContact OE1-ND1 2.86Å; Q128-R340 PolarHBondContact O-NE 3.02Å; Q128-R340 PolarHBondContact O-NH2 2.98Å; Q128-K387 VanDerWaalsContact CG-O 3.24Å; Q128-K387 WeakPolarHBondContact CG-O 3.41Å |
| 129 | V | 93.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -87.6 | -13.3 | 179.9 | -56.3 | 0 | 0 | 0 | 0 | 113.6 | R125 Q126 C127 Y131 V225 H339 I343 I350 I362 | R125-V129 WeakPolarHBondContact O-CG2 3.35Å; R125-V129 PolarHBondContact O-N 3.42Å; R125-V129 VanDerWaalsContact O-N 3.1Å; Q126-V129 WeakPolarHBondContact O-CG2 3.25Å; Q126-V129 PolarHBondContact O-N 2.97Å; C127-V129 VanDerWaalsContact C-N 3.33Å; C127-V129 PolarHBondContact O-N 2.89Å; V129-Y131 PolarHBondContact O-N 3.43Å; V129-V225 HydrophobicContact CG2-CB 4.26Å; V129-V225 HydrophobicContact CG2-CG1 4.26Å; V129-V225 HydrophobicContact CG2-CG2 4.49Å; V129-H339 HydrophobicContact CG1-CB 3.96Å; V129-I343 HydrophobicContact CB-CG2 4.23Å; V129-I343 HydrophobicContact CG1-CG2 3.96Å; V129-I350 HydrophobicContact CG2-CD1 4.12Å; V129-I350 HydrophobicContact CG2-CG2 4.13Å; V129-I362 HydrophobicContact CB-CD1 4.31Å; V129-I362 HydrophobicContact CG2-CD1 4.23Å |
| 130 | N | 92.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | trans | -74.7 | 91.5 | 178.1 | -172.8 | 2.2 | 0 | 0 | 0 | 111.5 | Q126 C127 H132 A133 I350 T353 K387 | Q126-N130 WeakPolarHBondContact O-CB 3.47Å; Q126-N130 PolarHBondContact O-N 3.18Å; C127-N130 PolarHBondContact O-N 3.15Å; N130-H132 PolarHBondContact OD1-N 2.99Å; N130-A133 HydrophobicContact CB-CB 4.17Å; N130-A133 WeakPolarHBondContact O-CB 3.36Å; N130-A133 PolarHBondContact O-N 3.25Å; N130-A133 PolarHBondContact OD1-N 2.72Å; N130-I350 HydrophobicContact CB-CD1 3.89Å; N130-T353 PolarHBondContact ND2-OG1 3.36Å; N130-K387 PolarHBondContact O-NZ 3.04Å | ||
| 131 | Y | 87.6 | Confident | 92.8 | Very high | 71 Ų | 71 | 47.1 Ų | 47.1 | 28% | 0.278 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -45.1 | 175.1 | 173.2 | -100 | 0 | 0 | 0 | 112.6 | V129 A133 T364 E379 E380 K387 | V129-Y131 PolarHBondContact O-N 3.43Å; Y131-A133 PolarHBondContact O-N 3.44Å; Y131-A133 VanDerWaalsContact O-N 3.16Å; Y131-T364 HydrophobicContact CD1-CG2 4.47Å; Y131-T364 HydrophobicContact CD2-CG2 3.88Å; Y131-T364 HydrophobicContact CG-CG2 3.71Å; Y131-E379 VanDerWaalsContact CE2-OE2 3.22Å; Y131-E379 WeakPolarHBondContact CE2-OE2 3.13Å; Y131-E379 PolarHBondContact OH-OE2 3.32Å; Y131-E380 VanDerWaalsContact CD2-OE1 3.3Å; Y131-E380 WeakPolarHBondContact CD2-OE1 3.41Å; Y131-K387 PolarHBondContact O-NZ 3.32Å; Y131-K387 VanDerWaalsContact O-NZ 3.14Å |
| 132 | H | 87.3 | Confident | 92.7 | Very high | 100 Ų | 100 | 48.1 Ų | 48.1 | 46% | 0.463 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 1.3 | -175 | -60.8 | 101.9 | 0 | 0 | 0 | 114.7 | N130 R134 | N130-H132 PolarHBondContact OD1-N 2.99Å; H132-R134 PolarHBondContact O-N 3.31Å |
| 133 | A | 88.6 | Confident | 92.7 | Very high | 9 Ų | 9 | 48 Ų | 48 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | trans | -58.3 | 126.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N130 Y131 Y136 D354 K387 | N130-A133 HydrophobicContact CB-CB 4.17Å; N130-A133 WeakPolarHBondContact O-CB 3.36Å; N130-A133 PolarHBondContact O-N 3.25Å; N130-A133 PolarHBondContact OD1-N 2.72Å; Y131-A133 PolarHBondContact O-N 3.44Å; Y131-A133 VanDerWaalsContact O-N 3.16Å; A133-Y136 WeakPolarHBondContact O-CE1 3.48Å; A133-D354 WeakPolarHBondContact CA-OD2 3.34Å; A133-K387 HydrophobicContact CB-CD 4.45Å | ||
| 134 | R | 88 | Confident | 92.6 | Very high | 222 Ų | 222 | 52 Ų | 52 | 84% | 0.838 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -86.6 | -33.2 | 169.9 | -67.5 | -174.7 | 178.3 | 179.4 | 0.6 | 111.8 | H132 D354 | H132-R134 PolarHBondContact O-N 3.31Å; R134-D354 PolarHBondContact N-OD1 3.37Å; R134-D354 PolarHBondContact N-OD2 2.98Å |
| 135 | H | 90.6 | Very high | 92.4 | Very high | 116 Ų | 116 | 57 Ų | 57 | 54% | 0.537 | 27% | 0.268 | S | S | . | . | trans | -106.1 | 125.8 | 175.4 | -53.4 | 93.8 | 0 | 0 | 0 | 109.4 | H137 D354 | H135-H137 VanDerWaalsContact C-N 3.32Å; H135-H137 VanDerWaalsContact CB-CE1 3.42Å; H135-H137 WeakPolarHBondContact CB-CE1 3.4Å; H135-H137 PolarHBondContact O-CD2 3.01Å; H135-H137 VanDerWaalsContact O-CD2 3.27Å; H135-H137 PolarHBondContact O-NE2 2.82Å; H135-D354 VanDerWaalsContact CB-OD1 3.31Å; H135-D354 WeakPolarHBondContact CB-OD1 3.35Å; H135-D354 IonicContact CG-OD1 3.15Å; H135-D354 PolarHBondContact N-OD1 3.1Å; H135-D354 IonicContact ND1-OD1 3.9Å; H135-D354 PolarHBondContact ND1-OD1 3.01Å | ||
| 136 | Y | 93.6 | Very high | 92.2 | Very high | 58 Ų | 58 | 55.8 Ų | 55.8 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | trans | -88 | -3.2 | -176.8 | -62.7 | -10.3 | 0 | 0 | 0 | 113.5 | A133 L138 E380 F383 K387 G388 | A133-Y136 WeakPolarHBondContact O-CE1 3.48Å; Y136-L138 VanDerWaalsContact C-N 3.31Å; Y136-L138 PolarHBondContact O-N 3.41Å; Y136-E380 PolarHBondContact OH-O 3.19Å; Y136-F383 HydrophobicContact CD2-CB 3.64Å; Y136-F383 HydrophobicContact CE2-CB 3.83Å; Y136-K387 HydrophobicContact CD1-CD 4.16Å; Y136-K387 HydrophobicContact CD1-CG 3.77Å; Y136-K387 HydrophobicContact CD2-CG 4.47Å; Y136-K387 HydrophobicContact CE1-CD 4.43Å; Y136-K387 HydrophobicContact CE1-CG 4.41Å; Y136-K387 HydrophobicContact CG-CG 3.82Å; Y136-K387 CarbonylContact O-C 3.49Å; Y136-K387 WeakPolarHBondContact O-CA 3.36Å; Y136-G388 PolarHBondContact O-N 2.91Å | ||
| 137 | H | 94.8 | Very high | 92.1 | Very high | 13 Ų | 13 | 57.5 Ų | 57.5 | 6% | 0.06 | 27% | 0.273 | C | S | . | . | trans | 50.5 | 47.8 | 178.2 | -48.4 | -57.5 | 0 | 0 | 0 | 113.8 | H135 T139 T142 V143 I146 T353 G390 | H135-H137 VanDerWaalsContact C-N 3.32Å; H135-H137 VanDerWaalsContact CB-CE1 3.42Å; H135-H137 WeakPolarHBondContact CB-CE1 3.4Å; H135-H137 PolarHBondContact O-CD2 3.01Å; H135-H137 VanDerWaalsContact O-CD2 3.27Å; H135-H137 PolarHBondContact O-NE2 2.82Å; H137-T139 VanDerWaalsContact C-N 3.28Å; H137-T139 PolarHBondContact O-N 3.39Å; H137-T142 VanDerWaalsContact CA-OG1 3.27Å; H137-T142 WeakPolarHBondContact CA-OG1 3.33Å; H137-V143 HydrophobicContact CB-CG2 3.76Å; H137-I146 WeakPolarHBondContact CE1-CD1 3.49Å; H137-I146 VanDerWaalsContact ND1-CD1 3.29Å; H137-I146 WeakPolarHBondContact ND1-CD1 3.07Å; H137-I146 WeakPolarHBondContact NE2-CD1 3.39Å; H137-T353 PolarHBondContact CE1-O 3.05Å; H137-T353 PolarHBondContact NE2-O 2.97Å; H137-T353 VanDerWaalsContact NE2-O 3.09Å; H137-G390 WeakPolarHBondContact O-CA 3.22Å; H137-G390 PolarHBondContact O-N 3.22Å | ||
| 138 | L | 94.5 | Very high | 91.9 | Very high | 62 Ų | 62 | 64.6 Ų | 64.6 | 33% | 0.325 | 30% | 0.3 | S | S | . | . | trans | -72.4 | -22.3 | -178.4 | -56.2 | -178.8 | 0 | 0 | 0 | 112.7 | Y136 F383 Y386 F389 G390 | Y136-L138 VanDerWaalsContact C-N 3.31Å; Y136-L138 PolarHBondContact O-N 3.41Å; L138-F383 HydrophobicContact CD1-CB 4.41Å; L138-F383 HydrophobicContact CD1-CD1 3.99Å; L138-F383 HydrophobicContact CD1-CG 4.38Å; L138-Y386 WeakPolarHBondContact CD2-O 3.45Å; L138-F389 HydrophobicContact CD2-CB 4.43Å; L138-G390 PolarHBondContact O-N 3.37Å | ||
| 139 | T | 93.9 | Very high | 91.6 | Very high | 67 Ų | 67 | 65.9 Ų | 65.9 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -106.5 | 146.8 | -178.5 | 67.5 | 0 | 0 | 0 | 0 | 111.2 | H137 F141 T142 | H137-T139 VanDerWaalsContact C-N 3.28Å; H137-T139 PolarHBondContact O-N 3.39Å; T139-F141 VanDerWaalsContact C-N 3.26Å; T139-F141 PolarHBondContact O-N 2.8Å; T139-T142 PolarHBondContact O-N 2.96Å; T139-T142 PolarHBondContact O-OG1 3.05Å; T139-T142 WeakPolarHBondContact OG1-CG2 3.4Å |
| 140 | P | 93.2 | Very high | 91.4 | Very high | 30 Ų | 30 | 66 Ų | 66 | 20% | 0.195 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.6 | -34.5 | -177.7 | 25 | -35.5 | 0 | 0 | 0 | 112.7 | T142 V143 I144 I393 I394 | P140-T142 VanDerWaalsContact C-N 3.35Å; P140-T142 PolarHBondContact O-N 3.43Å; P140-V143 WeakPolarHBondContact O-CB 3.45Å; P140-V143 PolarHBondContact O-N 2.81Å; P140-V143 VanDerWaalsContact O-N 3.17Å; P140-I144 WeakPolarHBondContact O-CG1 3.32Å; P140-I144 PolarHBondContact O-N 3.16Å; P140-I393 HydrophobicContact CB-CG2 4.36Å; P140-I393 HydrophobicContact CG-CG2 4.22Å; P140-I394 HydrophobicContact CB-CD1 4.03Å; P140-I394 HydrophobicContact CB-CG1 3.55Å |
| 141 | F | 93.4 | Very high | 91.3 | Very high | 154 Ų | 154 | 69.2 Ų | 69.2 | 68% | 0.675 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.8 | -39.6 | -178.1 | -53.7 | -70.5 | 0 | 0 | 0 | 113.1 | T139 V143 I144 N145 | T139-F141 VanDerWaalsContact C-N 3.26Å; T139-F141 PolarHBondContact O-N 2.8Å; F141-V143 VanDerWaalsContact C-N 3.29Å; F141-V143 PolarHBondContact O-N 3Å; F141-I144 PolarHBondContact O-N 2.8Å; F141-N145 PolarHBondContact O-N 2.95Å |
| 142 | T | 92.6 | Very high | 91.4 | Very high | 52 Ų | 52 | 73.4 Ų | 73.4 | 32% | 0.319 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.4 | -34.7 | 178 | 59.9 | 0 | 0 | 0 | 0 | 111.9 | H137 T139 P140 I146 | H137-T142 VanDerWaalsContact CA-OG1 3.27Å; H137-T142 WeakPolarHBondContact CA-OG1 3.33Å; T139-T142 PolarHBondContact O-N 2.96Å; T139-T142 PolarHBondContact O-OG1 3.05Å; T139-T142 WeakPolarHBondContact OG1-CG2 3.4Å; P140-T142 VanDerWaalsContact C-N 3.35Å; P140-T142 PolarHBondContact O-N 3.43Å; T142-I146 WeakPolarHBondContact O-CD1 3.32Å; T142-I146 WeakPolarHBondContact O-CG1 3.43Å; T142-I146 PolarHBondContact O-N 3.32Å |
| 143 | V | 92.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.7 | -42.7 | 178.6 | 177 | 0 | 0 | 0 | 0 | 111 | L123 H137 P140 F141 N145 I146 M147 A391 I394 | L123-V143 HydrophobicContact CD2-CB 4.39Å; L123-V143 HydrophobicContact CD2-CG1 3.3Å; L123-V143 HydrophobicContact CG-CG1 4.08Å; H137-V143 HydrophobicContact CB-CG2 3.76Å; P140-V143 WeakPolarHBondContact O-CB 3.45Å; P140-V143 PolarHBondContact O-N 2.81Å; P140-V143 VanDerWaalsContact O-N 3.17Å; F141-V143 VanDerWaalsContact C-N 3.29Å; F141-V143 PolarHBondContact O-N 3Å; V143-N145 VanDerWaalsContact C-N 3.3Å; V143-N145 PolarHBondContact O-N 3.19Å; V143-I146 PolarHBondContact O-N 3.09Å; V143-I146 VanDerWaalsContact O-N 3.08Å; V143-M147 HydrophobicContact CG1-CG 4.41Å; V143-M147 HydrophobicContact CG1-SD 4.21Å; V143-M147 WeakPolarHBondContact O-CG 3.31Å; V143-M147 PolarHBondContact O-N 2.93Å; V143-A391 HydrophobicContact CG1-CB 3.91Å; V143-I394 HydrophobicContact CB-CD1 3.88Å; V143-I394 HydrophobicContact CG1-CD1 3.74Å |
| 144 | I | 92.4 | Very high | 91.3 | Very high | 85 Ų | 85 | 73.2 Ų | 73.2 | 44% | 0.436 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.9 | -41.8 | 178 | -67.7 | 167.3 | 0 | 0 | 0 | 111.3 | P140 F141 I146 M147 Y148 I394 | P140-I144 WeakPolarHBondContact O-CG1 3.32Å; P140-I144 PolarHBondContact O-N 3.16Å; F141-I144 PolarHBondContact O-N 2.8Å; I144-I146 VanDerWaalsContact C-N 3.25Å; I144-I146 PolarHBondContact O-N 3.27Å; I144-M147 PolarHBondContact O-N 3.46Å; I144-Y148 WeakPolarHBondContact O-CB 3.41Å; I144-Y148 PolarHBondContact O-N 3.28Å; I144-I394 HydrophobicContact CD1-CD1 4.3Å; I144-I394 HydrophobicContact CG1-CD1 3.7Å |
| 145 | N | 90.5 | Very high | 91.3 | Very high | 115 Ų | 115 | 63.6 Ų | 63.6 | 62% | 0.615 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.2 | -37.3 | 177.5 | -72.2 | -16 | 0 | 0 | 0 | 112 | F141 V143 S149 | F141-N145 PolarHBondContact O-N 2.95Å; V143-N145 VanDerWaalsContact C-N 3.3Å; V143-N145 PolarHBondContact O-N 3.19Å; N145-S149 PolarHBondContact O-N 3.47Å |
| 146 | I | 90.9 | Very high | 91.2 | Very high | 10 Ų | 10 | 62 Ų | 62 | 5% | 0.051 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74.1 | -42.8 | 178 | -61.6 | 155.9 | 0 | 0 | 0 | 111 | L123 H137 T142 V143 I144 Y148 S149 F150 T353 | L123-I146 HydrophobicContact CD1-CG2 3.76Å; L123-I146 HydrophobicContact CD2-CB 4.33Å; L123-I146 HydrophobicContact CD2-CG2 4.3Å; H137-I146 WeakPolarHBondContact CE1-CD1 3.49Å; H137-I146 VanDerWaalsContact ND1-CD1 3.29Å; H137-I146 WeakPolarHBondContact ND1-CD1 3.07Å; H137-I146 WeakPolarHBondContact NE2-CD1 3.39Å; T142-I146 WeakPolarHBondContact O-CD1 3.32Å; T142-I146 WeakPolarHBondContact O-CG1 3.43Å; T142-I146 PolarHBondContact O-N 3.32Å; V143-I146 PolarHBondContact O-N 3.09Å; V143-I146 VanDerWaalsContact O-N 3.08Å; I144-I146 VanDerWaalsContact C-N 3.25Å; I144-I146 PolarHBondContact O-N 3.27Å; I146-Y148 PolarHBondContact O-N 3.43Å; I146-S149 WeakPolarHBondContact O-CB 3.24Å; I146-S149 PolarHBondContact O-N 3.46Å; I146-F150 HydrophobicContact CG2-CD1 4.27Å; I146-F150 HydrophobicContact CG2-CD2 4.13Å; I146-F150 HydrophobicContact CG2-CE1 4.1Å; I146-F150 HydrophobicContact CG2-CE2 3.92Å; I146-F150 HydrophobicContact CG2-CG 4.3Å; I146-F150 HydrophobicContact CG2-CZ 3.88Å; I146-F150 PolarHBondContact O-N 3.44Å; I146-T353 WeakPolarHBondContact CD1-O 3.26Å; I146-T353 VanDerWaalsContact CG1-O 3.32Å; I146-T353 WeakPolarHBondContact CG1-O 3.25Å |
| 147 | M | 91.5 | Very high | 90.9 | Very high | 36 Ų | 36 | 67.1 Ų | 67.1 | 18% | 0.177 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.8 | -42.3 | 174.4 | -67.3 | 177.4 | 71.1 | 0 | 0 | 110.8 | P119 L123 V143 I144 N151 L159 | P119-M147 HydrophobicContact CB-CE 3.72Å; L123-M147 HydrophobicContact CD2-CG 3.32Å; L123-M147 HydrophobicContact CD2-SD 4.28Å; V143-M147 HydrophobicContact CG1-CG 4.41Å; V143-M147 HydrophobicContact CG1-SD 4.21Å; V143-M147 WeakPolarHBondContact O-CG 3.31Å; V143-M147 PolarHBondContact O-N 2.93Å; I144-M147 PolarHBondContact O-N 3.46Å; M147-N151 VanDerWaalsContact O-CB 3.24Å; M147-N151 WeakPolarHBondContact O-CB 3.38Å; M147-N151 PolarHBondContact O-N 3.41Å; M147-L159 HydrophobicContact CG-CD2 4.5Å |
| 148 | Y | 91.3 | Very high | 90.5 | Very high | 151 Ų | 151 | 66.6 Ų | 66.6 | 59% | 0.592 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 174.2 | 179.3 | -97.6 | 0 | 0 | 0 | 112.1 | I144 I146 N151 K152 | I144-Y148 WeakPolarHBondContact O-CB 3.41Å; I144-Y148 PolarHBondContact O-N 3.28Å; I146-Y148 PolarHBondContact O-N 3.43Å; Y148-N151 PolarHBondContact O-N 2.99Å; Y148-K152 HydrophobicContact CE1-CD 4.23Å; Y148-K152 WeakPolarHBondContact O-CB 3.19Å; Y148-K152 PolarHBondContact O-N 3.02Å |
| 149 | S | 89.5 | Confident | 90.3 | Very high | 28 Ų | 28 | 64.2 Ų | 64.2 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 178 | -164.3 | 0 | 0 | 0 | 0 | 112 | N145 I146 N151 K152 T153 G356 | N145-S149 PolarHBondContact O-N 3.47Å; I146-S149 WeakPolarHBondContact O-CB 3.24Å; I146-S149 PolarHBondContact O-N 3.46Å; S149-N151 PolarHBondContact O-N 2.93Å; S149-K152 PolarHBondContact O-N 2.92Å; S149-T153 WeakPolarHBondContact O-CG2 3.14Å; S149-T153 PolarHBondContact O-N 3.37Å; S149-T153 PolarHBondContact O-OG1 2.91Å; S149-G356 PolarHBondContact OG-O 3.4Å |
| 150 | F | 89.7 | Confident | 90.2 | Very high | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 175.6 | -75.5 | -4.5 | 0 | 0 | 0 | 112.5 | L123 I146 K152 T153 Q154 L159 D351 T353 G356 | L123-F150 HydrophobicContact CD1-CD2 4.48Å; L123-F150 HydrophobicContact CD1-CE2 3.9Å; I146-F150 HydrophobicContact CG2-CD1 4.27Å; I146-F150 HydrophobicContact CG2-CD2 4.13Å; I146-F150 HydrophobicContact CG2-CE1 4.1Å; I146-F150 HydrophobicContact CG2-CE2 3.92Å; I146-F150 HydrophobicContact CG2-CG 4.3Å; I146-F150 HydrophobicContact CG2-CZ 3.88Å; I146-F150 PolarHBondContact O-N 3.44Å; F150-K152 VanDerWaalsContact C-N 3.26Å; F150-K152 PolarHBondContact O-N 3.19Å; F150-T153 PolarHBondContact O-N 3.05Å; F150-T153 PolarHBondContact O-OG1 3.37Å; F150-Q154 PolarHBondContact O-N 3.27Å; F150-L159 HydrophobicContact CB-CD2 4.39Å; F150-D351 HydrophobicContact CE1-CB 3.72Å; F150-D351 HydrophobicContact CE2-CB 4.04Å; F150-D351 HydrophobicContact CZ-CB 3.35Å; F150-T353 HydrophobicContact CZ-CG2 4.43Å; F150-G356 WeakPolarHBondContact CD1-O 3.44Å |
| 151 | N | 90.7 | Very high | 90.1 | Very high | 68 Ų | 68 | 64.1 Ų | 64.1 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 176.8 | -171.3 | 18.7 | 0 | 0 | 0 | 111.5 | M147 Y148 S149 G155 P156 L159 | M147-N151 VanDerWaalsContact O-CB 3.24Å; M147-N151 WeakPolarHBondContact O-CB 3.38Å; M147-N151 PolarHBondContact O-N 3.41Å; Y148-N151 PolarHBondContact O-N 2.99Å; S149-N151 PolarHBondContact O-N 2.93Å; N151-G155 CarbonylContact O-C 3.55Å; N151-G155 WeakPolarHBondContact O-CA 3.27Å; N151-G155 PolarHBondContact O-N 3.1Å; N151-G155 VanDerWaalsContact O-N 3.07Å; N151-P156 WeakPolarHBondContact OD1-CA 3.31Å; N151-P156 WeakPolarHBondContact OD1-CB 3.39Å; N151-P156 WeakPolarHBondContact OD1-CD 3.24Å; N151-L159 HydrophobicContact CB-CD1 4.43Å |
| 152 | K | 90.2 | Very high | 89.9 | Confident | 159 Ų | 159 | 57 Ų | 57 | 69% | 0.691 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -72.4 | -36 | 177.8 | -172.3 | 175.5 | -179.7 | 178.2 | 0 | 113 | Y148 S149 F150 | Y148-K152 HydrophobicContact CE1-CD 4.23Å; Y148-K152 WeakPolarHBondContact O-CB 3.19Å; Y148-K152 PolarHBondContact O-N 3.02Å; S149-K152 PolarHBondContact O-N 2.92Å; F150-K152 VanDerWaalsContact C-N 3.26Å; F150-K152 PolarHBondContact O-N 3.19Å |
| 153 | T | 86.5 | Confident | 89.7 | Confident | 70 Ų | 70 | 56.2 Ų | 56.2 | 43% | 0.429 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -89.8 | -39.9 | -173.5 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | S149 F150 G356 | S149-T153 WeakPolarHBondContact O-CG2 3.14Å; S149-T153 PolarHBondContact O-N 3.37Å; S149-T153 PolarHBondContact O-OG1 2.91Å; F150-T153 PolarHBondContact O-N 3.05Å; F150-T153 PolarHBondContact O-OG1 3.37Å; T153-G356 PolarHBondContact OG1-O 2.9Å |
| 154 | Q | 86.6 | Confident | 89.6 | Confident | 35 Ų | 35 | 57.3 Ų | 57.3 | 16% | 0.164 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -113.5 | -8.9 | -174.7 | -57.1 | -176.5 | 33.7 | 0 | 0 | 112.9 | F150 A158 I229 D351 | F150-Q154 PolarHBondContact O-N 3.27Å; Q154-A158 HydrophobicContact CB-CB 3.5Å; Q154-A158 HydrophobicContact CG-CB 4.47Å; Q154-I229 HydrophobicContact CG-CD1 4.29Å; Q154-I229 HydrophobicContact CG-CG1 4.29Å; Q154-D351 PolarHBondContact NE2-OD1 3.19Å |
| 155 | G | 88.3 | Confident | 89.5 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 22% | 0.216 | 27% | 0.265 | C | S | . | . | trans | 85.5 | 172.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N151 R157 A158 | N151-G155 CarbonylContact O-C 3.55Å; N151-G155 WeakPolarHBondContact O-CA 3.27Å; N151-G155 PolarHBondContact O-N 3.1Å; N151-G155 VanDerWaalsContact O-N 3.07Å; G155-R157 VanDerWaalsContact C-N 3.27Å; G155-R157 PolarHBondContact O-N 3.26Å; G155-A158 WeakPolarHBondContact O-CB 3.4Å; G155-A158 PolarHBondContact O-N 2.73Å | ||
| 156 | P | 87.9 | Confident | 89.5 | Confident | 81 Ų | 81 | 48.6 Ų | 48.6 | 53% | 0.526 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -68.7 | -26.2 | -174 | 24.3 | -33.5 | 0 | 0 | 0 | 112.9 | N151 A158 L159 | N151-P156 WeakPolarHBondContact OD1-CA 3.31Å; N151-P156 WeakPolarHBondContact OD1-CB 3.39Å; N151-P156 WeakPolarHBondContact OD1-CD 3.24Å; P156-A158 PolarHBondContact O-N 3.42Å; P156-L159 PolarHBondContact O-N 2.97Å |
| 157 | R | 87.4 | Confident | 89.5 | Confident | 166 Ų | 166 | 52 Ų | 52 | 63% | 0.626 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -60.5 | -30.7 | 179.2 | -174.5 | 175.8 | 175.3 | 167.7 | -3.7 | 112.6 | G155 L159 W160 K161 | G155-R157 VanDerWaalsContact C-N 3.27Å; G155-R157 PolarHBondContact O-N 3.26Å; R157-L159 PolarHBondContact O-N 3.47Å; R157-W160 CarbonylContact O-C 3.47Å; R157-W160 WeakPolarHBondContact O-CA 3.25Å; R157-W160 PolarHBondContact O-N 3.48Å; R157-K161 PolarHBondContact O-N 2.84Å |
| 158 | A | 86.8 | Confident | 89.5 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -61.9 | -28.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q154 G155 P156 W160 K161 E228 | Q154-A158 HydrophobicContact CB-CB 3.5Å; Q154-A158 HydrophobicContact CG-CB 4.47Å; G155-A158 WeakPolarHBondContact O-CB 3.4Å; G155-A158 PolarHBondContact O-N 2.73Å; P156-A158 PolarHBondContact O-N 3.42Å; A158-W160 VanDerWaalsContact C-N 3.28Å; A158-K161 WeakPolarHBondContact O-CD 3.31Å; A158-K161 VanDerWaalsContact O-CG 3.26Å; A158-K161 WeakPolarHBondContact O-CG 3.27Å; A158-E228 VanDerWaalsContact CA-CD 3.48Å; A158-E228 VanDerWaalsContact CA-OE2 3.24Å; A158-E228 WeakPolarHBondContact CA-OE2 3.4Å; A158-E228 HydrophobicContact CB-CG 4.35Å; A158-E228 PolarHBondContact N-OE2 3Å |
| 159 | L | 90.8 | Very high | 89.4 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 6% | 0.063 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -75.1 | -19.8 | 174.4 | -64.9 | 176.1 | 0 | 0 | 0 | 112.6 | P119 M147 F150 N151 P156 R157 | P119-L159 WeakPolarHBondContact CA-O 3.38Å; P119-L159 HydrophobicContact CB-CB 3.97Å; P119-L159 HydrophobicContact CB-CD1 4.49Å; P119-L159 HydrophobicContact CG-CB 4.12Å; M147-L159 HydrophobicContact CG-CD2 4.5Å; F150-L159 HydrophobicContact CB-CD2 4.39Å; N151-L159 HydrophobicContact CB-CD1 4.43Å; P156-L159 PolarHBondContact O-N 2.97Å; R157-L159 PolarHBondContact O-N 3.47Å |
| 160 | W | 92.1 | Very high | 89.5 | Confident | 92 Ų | 92 | 46.6 Ų | 46.6 | 35% | 0.348 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -105.1 | 14 | -179.6 | -86.2 | -79.1 | 0 | 0 | 0 | 114.4 | V115 H118 P119 R157 A158 M163 | V115-W160 PolarHBondContact O-NE1 2.88Å; H118-W160 AromaticContact CD2-CD1 3.83Å; P119-W160 HydrophobicContact CG-CD2 4Å; P119-W160 HydrophobicContact CG-CE3 4.07Å; P119-W160 HydrophobicContact CG-CH2 3.49Å; P119-W160 VanDerWaalsContact CG-CH2 3.49Å; P119-W160 HydrophobicContact CG-CZ2 3.37Å; P119-W160 HydrophobicContact CG-CZ3 3.83Å; R157-W160 CarbonylContact O-C 3.47Å; R157-W160 WeakPolarHBondContact O-CA 3.25Å; R157-W160 PolarHBondContact O-N 3.48Å; A158-W160 VanDerWaalsContact C-N 3.28Å; W160-M163 HydrophobicContact CG-CE 4.37Å; W160-M163 VanDerWaalsContact O-CB 3.3Å; W160-M163 WeakPolarHBondContact O-CB 3.43Å; W160-M163 PolarHBondContact O-N 2.94Å |
| 161 | K | 90.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 140.1 | 176.9 | 65.9 | -176.1 | 179.2 | 165.2 | 0 | 112.1 | H118 V122 R157 A158 M163 T224 V225 Q226 E228 D351 | H118-K161 PolarHBondContact NE2-O 3.48Å; V122-K161 HydrophobicContact CG1-CD 4.28Å; V122-K161 HydrophobicContact CG1-CG 3.89Å; V122-K161 HydrophobicContact CG2-CG 4.21Å; R157-K161 PolarHBondContact O-N 2.84Å; A158-K161 WeakPolarHBondContact O-CD 3.31Å; A158-K161 VanDerWaalsContact O-CG 3.26Å; A158-K161 WeakPolarHBondContact O-CG 3.27Å; K161-M163 PolarHBondContact O-N 2.9Å; K161-T224 WeakPolarHBondContact CE-O 3.49Å; K161-V225 PolarHBondContact NZ-O 2.98Å; K161-Q226 WeakPolarHBondContact CD-O 3.19Å; K161-Q226 PolarHBondContact NZ-O 2.86Å; K161-E228 HydrophobicContact CB-CG 4.23Å; K161-E228 HydrophobicContact CD-CG 4.24Å; K161-D351 IonicContact NZ-OD2 2.74Å; K161-D351 PolarHBondContact NZ-OD2 3.43Å |
| 162 | G | 88.1 | Confident | 89.5 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 9.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G164 S165 T166 | G162-G164 VanDerWaalsContact C-N 3.32Å; G162-G164 PolarHBondContact O-N 3.41Å; G162-S165 PolarHBondContact O-N 3.34Å; G162-S165 PolarHBondContact O-OG 3.36Å; G162-T166 WeakPolarHBondContact O-CG2 3.42Å; G162-T166 PolarHBondContact O-N 2.95Å; G162-T166 PolarHBondContact O-OG1 3.16Å |
| 163 | M | 90.1 | Very high | 89.5 | Confident | 37 Ų | 37 | 40 Ų | 40 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -39.8 | 175.6 | 172.8 | 177.9 | -101 | 0 | 0 | 112.8 | V115 H118 W160 K161 S165 T166 F167 | V115-M163 HydrophobicContact CB-CE 4.01Å; V115-M163 HydrophobicContact CG1-CE 3.81Å; V115-M163 HydrophobicContact CG2-CE 4.08Å; H118-M163 HydrophobicContact CB-CE 3.95Å; H118-M163 VanDerWaalsContact CE1-CA 3.46Å; H118-M163 WeakPolarHBondContact CE1-CA 3.42Å; W160-M163 HydrophobicContact CG-CE 4.37Å; W160-M163 VanDerWaalsContact O-CB 3.3Å; W160-M163 WeakPolarHBondContact O-CB 3.43Å; W160-M163 PolarHBondContact O-N 2.94Å; K161-M163 PolarHBondContact O-N 2.9Å; M163-S165 VanDerWaalsContact C-N 3.32Å; M163-S165 PolarHBondContact O-N 3.3Å; M163-T166 WeakPolarHBondContact CA-OG1 3.01Å; M163-T166 PolarHBondContact O-N 3.47Å; M163-T166 PolarHBondContact O-OG1 3.38Å; M163-F167 HydrophobicContact CE-CE2 4.43Å; M163-F167 HydrophobicContact CG-CD2 3.95Å; M163-F167 HydrophobicContact CG-CE2 3.58Å; M163-F167 WeakPolarHBondContact O-CD2 3.48Å; M163-F167 PolarHBondContact O-N 3.28Å; M163-F167 HydrophobicContact SD-CE2 4.21Å |
| 164 | G | 90.5 | Very high | 89.6 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 23% | 0.227 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.5 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G162 F167 I168 | G162-G164 VanDerWaalsContact C-N 3.32Å; G162-G164 PolarHBondContact O-N 3.41Å; G164-F167 PolarHBondContact O-N 2.92Å; G164-I168 WeakPolarHBondContact O-CG1 3.04Å; G164-I168 PolarHBondContact O-N 2.89Å; G164-I168 VanDerWaalsContact O-N 3.1Å |
| 165 | S | 90.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73.6 | -30.7 | 179.2 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | G162 M163 F167 I168 V169 S220 E223 C239 | G162-S165 PolarHBondContact O-N 3.34Å; G162-S165 PolarHBondContact O-OG 3.36Å; M163-S165 VanDerWaalsContact C-N 3.32Å; M163-S165 PolarHBondContact O-N 3.3Å; S165-F167 VanDerWaalsContact C-N 3.34Å; S165-I168 WeakPolarHBondContact O-CB 3.29Å; S165-I168 PolarHBondContact O-N 2.77Å; S165-V169 WeakPolarHBondContact O-CG2 3.49Å; S165-V169 PolarHBondContact O-N 3.4Å; S165-S220 PolarHBondContact OG-OG 3.47Å; S165-E223 WeakPolarHBondContact CB-OE2 3.2Å; S165-E223 PolarHBondContact OG-OE2 2.84Å; S165-C239 VanDerWaalsContact CB-SG 3.5Å |
| 166 | T | 89.4 | Confident | 89.9 | Confident | 18 Ų | 18 | 38.5 Ų | 38.5 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.7 | -41.5 | 173 | 51.5 | 0 | 0 | 0 | 0 | 111.2 | G162 M163 V169 Q170 S220 T224 | G162-T166 WeakPolarHBondContact O-CG2 3.42Å; G162-T166 PolarHBondContact O-N 2.95Å; G162-T166 PolarHBondContact O-OG1 3.16Å; M163-T166 WeakPolarHBondContact CA-OG1 3.01Å; M163-T166 PolarHBondContact O-N 3.47Å; M163-T166 PolarHBondContact O-OG1 3.38Å; T166-V169 PolarHBondContact O-N 3.01Å; T166-Q170 WeakPolarHBondContact O-CG 3.27Å; T166-Q170 PolarHBondContact O-N 2.93Å; T166-S220 WeakPolarHBondContact CG2-OG 3.45Å; T166-S220 PolarHBondContact N-OG 3.14Å; T166-T224 HydrophobicContact CG2-CG2 3.94Å |
| 167 | F | 91.3 | Very high | 89.9 | Confident | 80 Ų | 80 | 35.6 Ų | 35.6 | 35% | 0.351 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 173 | -74 | -58.6 | 0 | 0 | 0 | 112.8 | N114 V115 M163 G164 S165 Q170 G171 | N114-F167 HydrophobicContact CB-CE1 3.73Å; N114-F167 HydrophobicContact CB-CZ 3.91Å; V115-F167 HydrophobicContact CG2-CZ 4.03Å; M163-F167 HydrophobicContact CE-CE2 4.43Å; M163-F167 HydrophobicContact CG-CD2 3.95Å; M163-F167 HydrophobicContact CG-CE2 3.58Å; M163-F167 WeakPolarHBondContact O-CD2 3.48Å; M163-F167 PolarHBondContact O-N 3.28Å; M163-F167 HydrophobicContact SD-CE2 4.21Å; G164-F167 PolarHBondContact O-N 2.92Å; S165-F167 VanDerWaalsContact C-N 3.34Å; F167-Q170 PolarHBondContact O-N 3.42Å; F167-G171 PolarHBondContact O-N 3.42Å |
| 168 | I | 91 | Very high | 89.9 | Confident | 29 Ų | 29 | 28.6 Ų | 28.6 | 15% | 0.149 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 172.8 | -73.7 | 165.6 | 0 | 0 | 0 | 110.6 | G164 S165 Q170 G171 V172 I236 C239 I240 | G164-I168 WeakPolarHBondContact O-CG1 3.04Å; G164-I168 PolarHBondContact O-N 2.89Å; G164-I168 VanDerWaalsContact O-N 3.1Å; S165-I168 WeakPolarHBondContact O-CB 3.29Å; S165-I168 PolarHBondContact O-N 2.77Å; I168-Q170 VanDerWaalsContact C-N 3.27Å; I168-Q170 PolarHBondContact O-N 2.78Å; I168-G171 CarbonylContact O-C 3.54Å; I168-G171 WeakPolarHBondContact O-CA 3.41Å; I168-G171 PolarHBondContact O-N 3.25Å; I168-G171 VanDerWaalsContact O-N 3.1Å; I168-V172 HydrophobicContact CG2-CG2 4.12Å; I168-V172 WeakPolarHBondContact O-CG2 3.47Å; I168-V172 PolarHBondContact O-N 3.17Å; I168-I236 HydrophobicContact CD1-CG2 3.48Å; I168-I236 VanDerWaalsContact CD1-CG2 3.48Å; I168-I236 WeakPolarHBondContact CD1-O 3.43Å; I168-I236 HydrophobicContact CG1-CG2 4.36Å; I168-C239 HydrophobicContact CD1-CB 4.34Å; I168-I240 HydrophobicContact CD1-CD1 4.19Å; I168-I240 HydrophobicContact CD1-CG1 4.08Å; I168-I240 HydrophobicContact CG2-CD1 4.16Å; I168-I240 HydrophobicContact CG2-CG1 3.65Å |
| 169 | V | 90.7 | Very high | 90 | Very high | 17 Ų | 17 | 33.1 Ų | 33.1 | 10% | 0.103 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.9 | -40.5 | -179.8 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | S165 T166 V172 T173 F216 | S165-V169 WeakPolarHBondContact O-CG2 3.49Å; S165-V169 PolarHBondContact O-N 3.4Å; T166-V169 PolarHBondContact O-N 3.01Å; V169-V172 PolarHBondContact O-N 2.81Å; V169-T173 WeakPolarHBondContact O-CB 3.45Å; V169-T173 PolarHBondContact O-N 2.59Å; V169-T173 PolarHBondContact O-OG1 3.25Å; V169-F216 VanDerWaalsContact CG2-C 3.46Å; V169-F216 HydrophobicContact CG2-CB 3.92Å; V169-F216 VanDerWaalsContact CG2-O 3.31Å; V169-F216 WeakPolarHBondContact CG2-O 3.47Å |
| 170 | Q | 89.9 | Confident | 89.9 | Confident | 57 Ų | 57 | 33.3 Ų | 33.3 | 27% | 0.266 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60 | -48.6 | 172.9 | -71.9 | 174 | -14.6 | 0 | 0 | 111.2 | N114 T166 F167 I168 V172 T173 L174 | N114-Q170 PolarHBondContact OD1-NE2 3.15Å; T166-Q170 WeakPolarHBondContact O-CG 3.27Å; T166-Q170 PolarHBondContact O-N 2.93Å; F167-Q170 PolarHBondContact O-N 3.42Å; I168-Q170 VanDerWaalsContact C-N 3.27Å; I168-Q170 PolarHBondContact O-N 2.78Å; Q170-V172 PolarHBondContact O-N 3.33Å; Q170-T173 PolarHBondContact O-N 3.46Å; Q170-L174 WeakPolarHBondContact O-CB 3.42Å; Q170-L174 WeakPolarHBondContact O-CG 3.44Å; Q170-L174 PolarHBondContact O-N 3.37Å |
| 171 | G | 90.4 | Very high | 89.6 | Confident | 39 Ų | 39 | 29.6 Ų | 29.6 | 40% | 0.402 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61 | -37.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F167 I168 L174 G175 | F167-G171 PolarHBondContact O-N 3.42Å; I168-G171 CarbonylContact O-C 3.54Å; I168-G171 WeakPolarHBondContact O-CA 3.41Å; I168-G171 PolarHBondContact O-N 3.25Å; I168-G171 VanDerWaalsContact O-N 3.1Å; G171-L174 WeakPolarHBondContact O-CB 3.19Å; G171-G175 PolarHBondContact O-N 3.15Å |
| 172 | V | 90.6 | Very high | 89.4 | Confident | 34 Ų | 34 | 36.5 Ų | 36.5 | 21% | 0.206 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.7 | -42.6 | 175 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | I168 V169 Q170 L174 G175 A176 F216 | I168-V172 HydrophobicContact CG2-CG2 4.12Å; I168-V172 WeakPolarHBondContact O-CG2 3.47Å; I168-V172 PolarHBondContact O-N 3.17Å; V169-V172 PolarHBondContact O-N 2.81Å; Q170-V172 PolarHBondContact O-N 3.33Å; V172-L174 VanDerWaalsContact C-N 3.31Å; V172-L174 PolarHBondContact O-N 3.42Å; V172-G175 PolarHBondContact O-N 2.92Å; V172-A176 WeakPolarHBondContact O-CB 3.16Å; V172-A176 PolarHBondContact O-N 3.15Å; V172-F216 HydrophobicContact CG1-CD2 3.71Å; V172-F216 HydrophobicContact CG1-CE2 3.93Å; V172-F216 HydrophobicContact CG1-CG 4.27Å; V172-F216 HydrophobicContact CG2-CD1 4.43Å; V172-F216 HydrophobicContact CG2-CG 4.36Å |
| 173 | T | 90.6 | Very high | 89.2 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 14% | 0.135 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 176.6 | -54.3 | 0 | 0 | 0 | 0 | 110.1 | P47 V169 Q170 E177 T209 A213 | P47-T173 HydrophobicContact CB-CG2 4.16Å; P47-T173 HydrophobicContact CG-CG2 3.76Å; V169-T173 WeakPolarHBondContact O-CB 3.45Å; V169-T173 PolarHBondContact O-N 2.59Å; V169-T173 PolarHBondContact O-OG1 3.25Å; Q170-T173 PolarHBondContact O-N 3.46Å; T173-E177 WeakPolarHBondContact O-CB 3.28Å; T173-E177 PolarHBondContact O-N 2.99Å; T173-T209 HydrophobicContact CG2-CG2 3.64Å; T173-T209 VanDerWaalsContact O-CG2 3.31Å; T173-T209 WeakPolarHBondContact O-CG2 3.48Å; T173-A213 WeakPolarHBondContact OG1-CB 3.4Å |
| 174 | L | 87.8 | Confident | 88.7 | Confident | 51 Ų | 51 | 44.4 Ų | 44.4 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -48 | -61.5 | 168.9 | -102.8 | 161 | 0 | 0 | 0 | 113.5 | P46 P47 Q170 G171 V172 A176 E177 G178 | P46-L174 HydrophobicContact CB-CD1 4.08Å; P46-L174 HydrophobicContact CB-CD2 3.52Å; P46-L174 HydrophobicContact CB-CG 3.89Å; P46-L174 HydrophobicContact CG-CD2 3.98Å; P47-L174 HydrophobicContact CG-CB 4.34Å; P47-L174 HydrophobicContact CG-CG 4.08Å; Q170-L174 WeakPolarHBondContact O-CB 3.42Å; Q170-L174 WeakPolarHBondContact O-CG 3.44Å; Q170-L174 PolarHBondContact O-N 3.37Å; G171-L174 WeakPolarHBondContact O-CB 3.19Å; V172-L174 VanDerWaalsContact C-N 3.31Å; V172-L174 PolarHBondContact O-N 3.42Å; L174-A176 VanDerWaalsContact C-N 3.35Å; L174-A176 PolarHBondContact O-N 2.72Å; L174-E177 PolarHBondContact O-N 2.69Å; L174-G178 PolarHBondContact O-N 2.97Å; L174-G178 VanDerWaalsContact O-N 3.09Å |
| 175 | G | 90.4 | Very high | 87.8 | Confident | 33 Ų | 33 | 49.6 Ų | 49.6 | 34% | 0.34 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G171 V172 G178 I179 | G171-G175 PolarHBondContact O-N 3.15Å; V172-G175 PolarHBondContact O-N 2.92Å; G175-G178 PolarHBondContact O-N 3.44Å; G175-I179 WeakPolarHBondContact O-CB 3.33Å; G175-I179 WeakPolarHBondContact O-CD1 3.47Å; G175-I179 WeakPolarHBondContact O-CG1 3.2Å; G175-I179 PolarHBondContact O-N 3.01Å |
| 176 | A | 90.6 | Very high | 87 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -47.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V172 L174 G178 I179 I180 T209 V212 | V172-A176 WeakPolarHBondContact O-CB 3.16Å; V172-A176 PolarHBondContact O-N 3.15Å; L174-A176 VanDerWaalsContact C-N 3.35Å; L174-A176 PolarHBondContact O-N 2.72Å; A176-G178 VanDerWaalsContact C-N 3.33Å; A176-G178 PolarHBondContact O-N 3.29Å; A176-I179 PolarHBondContact O-N 3.23Å; A176-I180 HydrophobicContact CB-CD1 4.37Å; A176-I180 VanDerWaalsContact O-CB 3.3Å; A176-I180 WeakPolarHBondContact O-CB 3.33Å; A176-I180 VanDerWaalsContact O-CD1 3.28Å; A176-I180 WeakPolarHBondContact O-CD1 3.38Å; A176-I180 WeakPolarHBondContact O-CG1 3.26Å; A176-I180 PolarHBondContact O-N 3.37Å; A176-T209 HydrophobicContact CB-CG2 4.25Å; A176-V212 HydrophobicContact CB-CB 4.08Å; A176-V212 HydrophobicContact CB-CG1 3.73Å |
| 177 | E | 88.3 | Confident | 85.8 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 9% | 0.093 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59 | -45.5 | 176.9 | -174.6 | 169.1 | 159.8 | 0 | 0 | 111.4 | P47 T173 L174 S181 L205 K206 T209 | P47-E177 WeakPolarHBondContact CB-OE2 3.2Å; T173-E177 WeakPolarHBondContact O-CB 3.28Å; T173-E177 PolarHBondContact O-N 2.99Å; L174-E177 PolarHBondContact O-N 2.69Å; E177-S181 VanDerWaalsContact O-CB 3.31Å; E177-S181 WeakPolarHBondContact O-CB 3.24Å; E177-S181 PolarHBondContact O-N 3.24Å; E177-S181 PolarHBondContact O-OG 2.98Å; E177-L205 HydrophobicContact CG-CD2 4.3Å; E177-L205 HydrophobicContact CG-CG 4.37Å; E177-K206 IonicContact OE1-NZ 3.96Å; E177-K206 PolarHBondContact OE1-NZ 3.39Å; E177-K206 IonicContact OE2-NZ 3.16Å; E177-K206 PolarHBondContact OE2-NZ 2.86Å; E177-T209 WeakPolarHBondContact CA-OG1 3.48Å; E177-T209 HydrophobicContact CB-CG2 3.97Å |
| 178 | G | 87.9 | Confident | 84.3 | Confident | 20 Ų | 20 | 51.7 Ų | 51.7 | 21% | 0.206 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.6 | -49.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | L174 G175 A176 S181 E182 R188 | L174-G178 PolarHBondContact O-N 2.97Å; L174-G178 VanDerWaalsContact O-N 3.09Å; G175-G178 PolarHBondContact O-N 3.44Å; A176-G178 VanDerWaalsContact C-N 3.33Å; A176-G178 PolarHBondContact O-N 3.29Å; G178-S181 PolarHBondContact O-N 3.41Å; G178-S181 PolarHBondContact O-OG 3.37Å; G178-E182 PolarHBondContact O-N 2.95Å; G178-E182 VanDerWaalsContact O-N 3.13Å; G178-R188 PolarHBondContact O-NH2 2.99Å |
| 179 | I | 89.9 | Confident | 82.7 | Confident | 97 Ų | 97 | 55.6 Ų | 55.6 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.2 | -51.3 | 179.1 | -70.3 | 166.1 | 0 | 0 | 0 | 110.2 | G175 A176 S181 E182 F183 | G175-I179 WeakPolarHBondContact O-CB 3.33Å; G175-I179 WeakPolarHBondContact O-CD1 3.47Å; G175-I179 WeakPolarHBondContact O-CG1 3.2Å; G175-I179 PolarHBondContact O-N 3.01Å; A176-I179 PolarHBondContact O-N 3.23Å; I179-S181 VanDerWaalsContact C-N 3.29Å; I179-S181 PolarHBondContact O-N 3.16Å; I179-E182 WeakPolarHBondContact O-CB 3.49Å; I179-E182 PolarHBondContact O-N 3.22Å; I179-F183 HydrophobicContact CG2-CD2 3.71Å; I179-F183 HydrophobicContact CG2-CE2 3.8Å; I179-F183 WeakPolarHBondContact O-CD2 3.39Å; I179-F183 PolarHBondContact O-N 2.94Å; I179-F183 VanDerWaalsContact O-N 3.08Å |
| 180 | I | 88.3 | Confident | 81.1 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 9% | 0.087 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.7 | -44.5 | -177.2 | -67.6 | 160.6 | 0 | 0 | 0 | 110.5 | A176 E182 F183 T184 L205 L208 V212 | A176-I180 HydrophobicContact CB-CD1 4.37Å; A176-I180 VanDerWaalsContact O-CB 3.3Å; A176-I180 WeakPolarHBondContact O-CB 3.33Å; A176-I180 VanDerWaalsContact O-CD1 3.28Å; A176-I180 WeakPolarHBondContact O-CD1 3.38Å; A176-I180 WeakPolarHBondContact O-CG1 3.26Å; A176-I180 PolarHBondContact O-N 3.37Å; I180-E182 VanDerWaalsContact C-N 3.26Å; I180-E182 PolarHBondContact O-N 2.99Å; I180-F183 PolarHBondContact O-N 3.3Å; I180-T184 HydrophobicContact CG2-CG2 4.15Å; I180-T184 VanDerWaalsContact O-CB 3.29Å; I180-T184 WeakPolarHBondContact O-CB 3.43Å; I180-T184 WeakPolarHBondContact O-CG2 3.39Å; I180-T184 PolarHBondContact O-N 2.69Å; I180-T184 PolarHBondContact O-OG1 3.17Å; I180-L205 HydrophobicContact CB-CD1 3.78Å; I180-L205 HydrophobicContact CG2-CD1 3.35Å; I180-L208 HydrophobicContact CD1-CB 4.23Å; I180-L208 HydrophobicContact CD1-CD2 4.13Å; I180-L208 HydrophobicContact CD1-CG 3.74Å; I180-L208 HydrophobicContact CG1-CD2 4.19Å; I180-L208 HydrophobicContact CG1-CG 4.33Å; I180-L208 HydrophobicContact CG2-CD2 3.58Å; I180-L208 HydrophobicContact CG2-CG 4.3Å; I180-V212 HydrophobicContact CD1-CG2 4.28Å |
| 181 | S | 85.2 | Confident | 79.3 | Confident | 14 Ų | 14 | 60.2 Ų | 60.2 | 10% | 0.098 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -74.7 | -11.5 | -179.2 | 53.9 | 0 | 0 | 0 | 0 | 114.6 | E177 G178 I179 T184 R188 | E177-S181 VanDerWaalsContact O-CB 3.31Å; E177-S181 WeakPolarHBondContact O-CB 3.24Å; E177-S181 PolarHBondContact O-N 3.24Å; E177-S181 PolarHBondContact O-OG 2.98Å; G178-S181 PolarHBondContact O-N 3.41Å; G178-S181 PolarHBondContact O-OG 3.37Å; I179-S181 VanDerWaalsContact C-N 3.29Å; I179-S181 PolarHBondContact O-N 3.16Å; S181-T184 CarbonylContact C-O 3.56Å; S181-R188 VanDerWaalsContact CB-NE 3.33Å; S181-R188 PolarHBondContact OG-NE 3.18Å; S181-R188 PolarHBondContact OG-NH2 3.35Å |
| 182 | E | 87.1 | Confident | 77.6 | Confident | 147 Ų | 147 | 67.5 Ų | 67.5 | 69% | 0.687 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -83.5 | -38.9 | 167.9 | -171.1 | 172.7 | 178.1 | 0 | 0 | 110.9 | G178 I179 I180 | G178-E182 PolarHBondContact O-N 2.95Å; G178-E182 VanDerWaalsContact O-N 3.13Å; I179-E182 WeakPolarHBondContact O-CB 3.49Å; I179-E182 PolarHBondContact O-N 3.22Å; I180-E182 VanDerWaalsContact C-N 3.26Å; I180-E182 PolarHBondContact O-N 2.99Å |
| 183 | F | 83.6 | Confident | 76 | Confident | 167 Ų | 167 | 74.5 Ų | 74.5 | 73% | 0.732 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -82.3 | -15.2 | 178.2 | -74.3 | -71.6 | 0 | 0 | 0 | 114.4 | I179 I180 | I179-F183 HydrophobicContact CG2-CD2 3.71Å; I179-F183 HydrophobicContact CG2-CE2 3.8Å; I179-F183 WeakPolarHBondContact O-CD2 3.39Å; I179-F183 PolarHBondContact O-N 2.94Å; I179-F183 VanDerWaalsContact O-N 3.08Å; I180-F183 PolarHBondContact O-N 3.3Å |
| 184 | T | 79.8 | Confident | 74.6 | Confident | 39 Ų | 39 | 83.4 Ų | 83.4 | 24% | 0.239 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -121.9 | 144.4 | -179.7 | 65.1 | 0 | 0 | 0 | 0 | 109.9 | I180 S181 L186 | I180-T184 HydrophobicContact CG2-CG2 4.15Å; I180-T184 VanDerWaalsContact O-CB 3.29Å; I180-T184 WeakPolarHBondContact O-CB 3.43Å; I180-T184 WeakPolarHBondContact O-CG2 3.39Å; I180-T184 PolarHBondContact O-N 2.69Å; I180-T184 PolarHBondContact O-OG1 3.17Å; S181-T184 CarbonylContact C-O 3.56Å; T184-L186 HydrophobicContact CG2-CD1 4.38Å; T184-L186 PolarHBondContact O-N 2.61Å; T184-L186 WeakPolarHBondContact OG1-CD1 3.33Å; T184-L186 WeakPolarHBondContact OG1-CG 3.44Å |
| 185 | P | 71.8 | Confident | 74.1 | Confident | 132 Ų | 132 | 84.7 Ų | 84.7 | 86% | 0.857 | 42% | 0.423 | S | S | * | . | trans | -72.5 | 22 | 175.9 | 32.7 | -36.7 | 0 | 0 | 0 | 112.7 | ||||
| 186 | L | 71.3 | Confident | 73.5 | Confident | 25 Ų | 25 | 88 Ų | 88 | 13% | 0.131 | 44% | 0.439 | C | S | . | . | trans | -78.8 | 131.2 | -174.6 | -60.3 | 173.9 | 0 | 0 | 0 | 110 | T184 R188 E201 L204 L205 | T184-L186 HydrophobicContact CG2-CD1 4.38Å; T184-L186 PolarHBondContact O-N 2.61Å; T184-L186 WeakPolarHBondContact OG1-CD1 3.33Å; T184-L186 WeakPolarHBondContact OG1-CG 3.44Å; L186-R188 PolarHBondContact O-N 2.77Å; L186-E201 HydrophobicContact CD2-CB 3.67Å; L186-E201 HydrophobicContact CD2-CG 4Å; L186-L204 HydrophobicContact CD1-CD2 4.46Å; L186-L204 HydrophobicContact CD1-CG 4.41Å; L186-L204 HydrophobicContact CD2-CD2 4.33Å; L186-L205 HydrophobicContact CB-CB 4.07Å; L186-L205 HydrophobicContact CD1-CB 3.91Å; L186-L205 HydrophobicContact CD1-CD1 4.48Å | ||
| 187 | P | 66 | Low | 73.1 | Confident | 24 Ų | 24 | 94.7 Ų | 94.7 | 16% | 0.156 | 47% | 0.466 | C | S | . | . | trans | -68.2 | 125.8 | -176.6 | 30.7 | -36.5 | 0 | 0 | 0 | 111.2 | E189 L198 E201 H202 | P187-E189 VanDerWaalsContact C-N 3.29Å; P187-L198 HydrophobicContact CB-CD1 3.66Å; P187-L198 HydrophobicContact CB-CG 4.16Å; P187-L198 HydrophobicContact CG-CD1 3.52Å; P187-L198 HydrophobicContact CG-CG 3.82Å; P187-E201 HydrophobicContact CG-CB 4.04Å; P187-H202 HydrophobicContact CG-CB 4.28Å; P187-H202 PolarHBondContact O-ND1 3.48Å | ||
| 188 | R | 58.5 | Low | 72.8 | Confident | 92 Ų | 92 | 95.4 Ų | 95.4 | 35% | 0.347 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -69.2 | -27.4 | 172.4 | -68.9 | -177.4 | -176.7 | -175 | -4.7 | 112.6 | G178 S181 L186 H202 | G178-R188 PolarHBondContact O-NH2 2.99Å; S181-R188 VanDerWaalsContact CB-NE 3.33Å; S181-R188 PolarHBondContact OG-NE 3.18Å; S181-R188 PolarHBondContact OG-NH2 3.35Å; L186-R188 PolarHBondContact O-N 2.77Å; R188-H202 PolarHBondContact O-CE1 3.44Å; R188-H202 PolarHBondContact O-ND1 3.07Å |
| 189 | E | 57.9 | Low | 72.4 | Confident | 112 Ų | 112 | 97.2 Ų | 97.2 | 52% | 0.523 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -128.8 | 132.9 | -175.7 | -64.5 | -179.3 | -166.9 | 0 | 0 | 111.5 | H56 P187 L191 | H56-E189 IonicContact CE1-OE1 3.73Å; P187-E189 VanDerWaalsContact C-N 3.29Å; E189-L191 PolarHBondContact O-N 3.19Å |
| 190 | V | 56.8 | Low | 72.2 | Confident | 43 Ų | 43 | 94.4 Ų | 94.4 | 26% | 0.261 | 47% | 0.47 | S | S | . | . | trans | -82.8 | 98.9 | 172 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | I199 H202 | V190-I199 HydrophobicContact CG1-CG1 3.9Å; V190-H202 HydrophobicContact CG2-CB 3.89Å | ||
| 191 | L | 52.9 | Low | 72 | Confident | 127 Ų | 127 | 96.3 Ų | 96.3 | 67% | 0.665 | 48% | 0.478 | S | S | * | . | trans | -52.6 | 147.3 | 169.9 | -77.7 | 163.5 | 0 | 0 | 0 | 110.5 | E189 K193 L198 | E189-L191 PolarHBondContact O-N 3.19Å; L191-K193 PolarHBondContact O-N 3.01Å; L191-L198 HydrophobicContact CB-CD2 4.45Å | ||
| 192 | H | 53.5 | Low | 72.1 | Confident | 193 Ų | 193 | 96 Ų | 96 | 89% | 0.894 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -59.1 | -5.9 | -172.6 | -157.9 | 73.5 | 0 | 0 | 0 | 115.6 | ||
| 193 | K | 56.9 | Low | 72.1 | Confident | 180 Ų | 180 | 91.2 Ų | 91.2 | 78% | 0.783 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -89.1 | 119.7 | 174.6 | -66.4 | -177.6 | 179.4 | 179.2 | 0 | 109.1 | L191 N195 | L191-K193 PolarHBondContact O-N 3.01Å; K193-N195 VanDerWaalsContact C-N 3.29Å; K193-N195 PolarHBondContact O-N 3.23Å |
| 194 | W | 62.9 | Low | 72.5 | Confident | 209 Ų | 209 | 88.3 Ų | 88.3 | 79% | 0.792 | 45% | 0.445 | S | S | * | . | trans | -63.3 | 84.3 | 178 | -71.5 | 80.5 | 0 | 0 | 0 | 111.2 | I199 | W194-I199 HydrophobicContact CE3-CD1 4.17Š| ||
| 195 | N | 76.1 | Confident | 73 | Confident | 79 Ų | 79 | 86.4 Ų | 86.4 | 42% | 0.422 | 43% | 0.434 | S | S | . | . | trans | -102.6 | 106.9 | 170.1 | -172.8 | -15.3 | 0 | 0 | 0 | 108.3 | K193 K197 L198 I199 | K193-N195 VanDerWaalsContact C-N 3.29Å; K193-N195 PolarHBondContact O-N 3.23Å; N195-K197 PolarHBondContact O-N 3.47Å; N195-K197 WeakPolarHBondContact OD1-CB 3.26Å; N195-K197 PolarHBondContact OD1-N 3.03Å; N195-L198 HydrophobicContact CB-CB 3.85Å; N195-L198 WeakPolarHBondContact O-CB 3.28Å; N195-L198 PolarHBondContact O-N 3.38Å; N195-L198 VanDerWaalsContact O-N 3.07Å; N195-I199 WeakPolarHBondContact O-CG1 3.29Å; N195-I199 PolarHBondContact O-N 3.17Å | ||
| 196 | P | 77.2 | Confident | 73.8 | Confident | 103 Ų | 103 | 80.3 Ų | 80.3 | 67% | 0.669 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.2 | -28.7 | -175.7 | 25.5 | -34.1 | 0 | 0 | 0 | 112.4 | G200 | P196-G200 PolarHBondContact O-N 3.46Å |
| 197 | K | 82.4 | Confident | 74.8 | Confident | 148 Ų | 148 | 80.5 Ų | 80.5 | 64% | 0.643 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.2 | -46.6 | 174.2 | -172.7 | -179.3 | 175.1 | -173.4 | 0 | 111.2 | N195 I199 G200 E201 | N195-K197 PolarHBondContact O-N 3.47Å; N195-K197 WeakPolarHBondContact OD1-CB 3.26Å; N195-K197 PolarHBondContact OD1-N 3.03Å; K197-I199 VanDerWaalsContact C-N 3.32Å; K197-I199 PolarHBondContact O-N 2.88Å; K197-G200 PolarHBondContact O-N 2.79Å; K197-E201 VanDerWaalsContact CE-OE1 3.25Å; K197-E201 WeakPolarHBondContact CE-OE1 3.2Å; K197-E201 WeakPolarHBondContact O-CG 3.45Å; K197-E201 PolarHBondContact O-N 3.27Å |
| 198 | L | 81.8 | Confident | 76.1 | Confident | 35 Ų | 35 | 82.9 Ų | 82.9 | 18% | 0.183 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 178 | -165.7 | 79.5 | 0 | 0 | 0 | 111.7 | P187 L191 N195 E201 H202 | P187-L198 HydrophobicContact CB-CD1 3.66Å; P187-L198 HydrophobicContact CB-CG 4.16Å; P187-L198 HydrophobicContact CG-CD1 3.52Å; P187-L198 HydrophobicContact CG-CG 3.82Å; L191-L198 HydrophobicContact CB-CD2 4.45Å; N195-L198 HydrophobicContact CB-CB 3.85Å; N195-L198 WeakPolarHBondContact O-CB 3.28Å; N195-L198 PolarHBondContact O-N 3.38Å; N195-L198 VanDerWaalsContact O-N 3.07Å; L198-E201 PolarHBondContact O-N 3.26Å; L198-H202 WeakPolarHBondContact O-CB 3.12Å; L198-H202 PolarHBondContact O-N 3.32Å |
| 199 | I | 81.3 | Confident | 77.7 | Confident | 59 Ų | 59 | 78.5 Ų | 78.5 | 30% | 0.303 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 175.8 | -67 | 160.8 | 0 | 0 | 0 | 110.7 | V190 W194 N195 K197 H202 L203 | V190-I199 HydrophobicContact CG1-CG1 3.9Å; W194-I199 HydrophobicContact CE3-CD1 4.17Å; N195-I199 WeakPolarHBondContact O-CG1 3.29Å; N195-I199 PolarHBondContact O-N 3.17Å; K197-I199 VanDerWaalsContact C-N 3.32Å; K197-I199 PolarHBondContact O-N 2.88Å; I199-H202 PolarHBondContact O-N 3.5Å; I199-L203 WeakPolarHBondContact O-CB 3.17Å; I199-L203 PolarHBondContact O-N 2.95Å |
| 200 | G | 84.1 | Confident | 79.4 | Confident | 38 Ų | 38 | 75.6 Ų | 75.6 | 39% | 0.392 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P196 K197 L203 L204 | P196-G200 PolarHBondContact O-N 3.46Å; K197-G200 PolarHBondContact O-N 2.79Å; G200-L203 PolarHBondContact O-N 3.43Å; G200-L204 WeakPolarHBondContact O-CB 3.44Å; G200-L204 PolarHBondContact O-N 2.79Å |
| 201 | E | 85.6 | Confident | 81.1 | Confident | 56 Ų | 56 | 76 Ų | 76 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 176 | -71.1 | 170.8 | 179.4 | 0 | 0 | 111.7 | L186 P187 K197 L198 L204 L205 | L186-E201 HydrophobicContact CD2-CB 3.67Å; L186-E201 HydrophobicContact CD2-CG 4Å; P187-E201 HydrophobicContact CG-CB 4.04Å; K197-E201 VanDerWaalsContact CE-OE1 3.25Å; K197-E201 WeakPolarHBondContact CE-OE1 3.2Å; K197-E201 WeakPolarHBondContact O-CG 3.45Å; K197-E201 PolarHBondContact O-N 3.27Å; L198-E201 PolarHBondContact O-N 3.26Å; E201-L204 WeakPolarHBondContact O-CB 3.49Å; E201-L204 PolarHBondContact O-N 2.95Å; E201-L205 PolarHBondContact O-N 3.38Å |
| 202 | H | 86 | Confident | 83 | Confident | 7 Ų | 7 | 72.9 Ų | 72.9 | 3% | 0.032 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 174.5 | -173.6 | 72 | 0 | 0 | 0 | 112.4 | P187 R188 V190 L198 I199 L204 L205 K206 Y276 | P187-H202 HydrophobicContact CG-CB 4.28Å; P187-H202 PolarHBondContact O-ND1 3.48Å; R188-H202 PolarHBondContact O-CE1 3.44Å; R188-H202 PolarHBondContact O-ND1 3.07Å; V190-H202 HydrophobicContact CG2-CB 3.89Å; L198-H202 WeakPolarHBondContact O-CB 3.12Å; L198-H202 PolarHBondContact O-N 3.32Å; I199-H202 PolarHBondContact O-N 3.5Å; H202-L204 VanDerWaalsContact C-N 3.3Å; H202-L204 PolarHBondContact O-N 2.96Å; H202-L205 WeakPolarHBondContact O-CB 3.34Å; H202-L205 PolarHBondContact O-N 2.92Å; H202-K206 VanDerWaalsContact NE2-CE 3.26Å; H202-K206 WeakPolarHBondContact NE2-CE 3.39Å; H202-K206 WeakPolarHBondContact O-CG 3.36Å; H202-K206 PolarHBondContact O-N 3.34Å; H202-Y276 AromaticContact CD2-CE1 3.98Å; H202-Y276 AromaticContact CD2-CZ 3.63Å; H202-Y276 PolarHBondContact CD2-OH 3.21Å; H202-Y276 AromaticContact NE2-CE2 3.94Å; H202-Y276 AromaticContact NE2-CZ 3.45Å; H202-Y276 PolarHBondContact NE2-OH 3.19Å |
| 203 | L | 88.6 | Confident | 84.8 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 25% | 0.251 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.4 | -38 | 176.7 | -175.5 | 63.6 | 0 | 0 | 0 | 111.3 | I199 G200 K206 C207 A273 Y276 I277 | I199-L203 WeakPolarHBondContact O-CB 3.17Å; I199-L203 PolarHBondContact O-N 2.95Å; G200-L203 PolarHBondContact O-N 3.43Å; L203-K206 PolarHBondContact O-N 2.97Å; L203-C207 PolarHBondContact O-N 3.21Å; L203-C207 PolarHBondContact O-SG 3.25Å; L203-A273 HydrophobicContact CD1-CB 4.25Å; L203-Y276 HydrophobicContact CD1-CD1 4.37Å; L203-I277 HydrophobicContact CD1-CD1 4.06Å; L203-I277 HydrophobicContact CD1-CG1 4.13Å; L203-I277 HydrophobicContact CD2-CD1 4.13Å |
| 204 | L | 90.6 | Very high | 86.5 | Confident | 105 Ų | 105 | 55.6 Ų | 55.6 | 55% | 0.55 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 174.8 | -179.7 | 62.5 | 0 | 0 | 0 | 111.6 | L186 G200 E201 H202 C207 L208 | L186-L204 HydrophobicContact CD1-CD2 4.46Å; L186-L204 HydrophobicContact CD1-CG 4.41Å; L186-L204 HydrophobicContact CD2-CD2 4.33Å; G200-L204 WeakPolarHBondContact O-CB 3.44Å; G200-L204 PolarHBondContact O-N 2.79Å; E201-L204 WeakPolarHBondContact O-CB 3.49Å; E201-L204 PolarHBondContact O-N 2.95Å; H202-L204 VanDerWaalsContact C-N 3.3Å; H202-L204 PolarHBondContact O-N 2.96Å; L204-C207 PolarHBondContact O-N 3.44Å; L204-L208 PolarHBondContact O-N 3.44Å |
| 205 | L | 90.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.9 | -50.5 | 173.3 | 174 | 63.9 | 0 | 0 | 0 | 110.6 | E177 I180 L186 E201 H202 C207 L208 T209 | E177-L205 HydrophobicContact CG-CD2 4.3Å; E177-L205 HydrophobicContact CG-CG 4.37Å; I180-L205 HydrophobicContact CB-CD1 3.78Å; I180-L205 HydrophobicContact CG2-CD1 3.35Å; L186-L205 HydrophobicContact CB-CB 4.07Å; L186-L205 HydrophobicContact CD1-CB 3.91Å; L186-L205 HydrophobicContact CD1-CD1 4.48Å; E201-L205 PolarHBondContact O-N 3.38Å; H202-L205 WeakPolarHBondContact O-CB 3.34Å; H202-L205 PolarHBondContact O-N 2.92Å; L205-C207 PolarHBondContact O-N 3.04Å; L205-L208 PolarHBondContact O-N 3.44Å; L205-T209 PolarHBondContact O-N 3.21Å; L205-T209 PolarHBondContact O-OG1 3.26Å |
| 206 | K | 88.6 | Confident | 88.7 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.017 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 178.2 | -66 | -70.2 | 173.4 | -175.3 | 0 | 112.3 | D48 E177 H202 L203 L208 T209 Y210 Y276 | D48-K206 WeakPolarHBondContact OD2-CE 3.33Å; D48-K206 IonicContact OD2-NZ 3.02Å; D48-K206 PolarHBondContact OD2-NZ 3.45Å; E177-K206 IonicContact OE1-NZ 3.96Å; E177-K206 PolarHBondContact OE1-NZ 3.39Å; E177-K206 IonicContact OE2-NZ 3.16Å; E177-K206 PolarHBondContact OE2-NZ 2.86Å; H202-K206 VanDerWaalsContact NE2-CE 3.26Å; H202-K206 WeakPolarHBondContact NE2-CE 3.39Å; H202-K206 WeakPolarHBondContact O-CG 3.36Å; H202-K206 PolarHBondContact O-N 3.34Å; L203-K206 PolarHBondContact O-N 2.97Å; K206-L208 PolarHBondContact O-N 3.02Å; K206-T209 WeakPolarHBondContact O-CB 3.12Å; K206-T209 PolarHBondContact O-N 3.18Å; K206-Y210 HydrophobicContact CB-CE2 4.15Å; K206-Y210 WeakPolarHBondContact O-CD2 3.32Å; K206-Y210 PolarHBondContact O-N 3.33Å; K206-Y276 HydrophobicContact CD-CD2 4.4Å; K206-Y276 HydrophobicContact CD-CE2 4.47Å |
| 207 | C | 92.5 | Very high | 89.4 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.1 | -46.1 | 176.5 | -72 | 0 | 0 | 0 | 0 | 111.9 | L203 L204 L205 Y210 V211 V269 | L203-C207 PolarHBondContact O-N 3.21Å; L203-C207 PolarHBondContact O-SG 3.25Å; L204-C207 PolarHBondContact O-N 3.44Å; L205-C207 PolarHBondContact O-N 3.04Å; C207-Y210 PolarHBondContact O-N 2.95Å; C207-V211 WeakPolarHBondContact O-CG2 3.42Å; C207-V211 PolarHBondContact O-N 3.27Å; C207-V211 VanDerWaalsContact O-N 3.1Å; C207-V269 HydrophobicContact CB-CG1 3.88Å |
| 208 | L | 93 | Very high | 89.8 | Confident | 73 Ų | 73 | 33.7 Ų | 33.7 | 38% | 0.382 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.5 | -40 | 178.7 | -174.9 | 57.2 | 0 | 0 | 0 | 111.7 | I180 L204 L205 K206 Y210 V211 V212 | I180-L208 HydrophobicContact CD1-CB 4.23Å; I180-L208 HydrophobicContact CD1-CD2 4.13Å; I180-L208 HydrophobicContact CD1-CG 3.74Å; I180-L208 HydrophobicContact CG1-CD2 4.19Å; I180-L208 HydrophobicContact CG1-CG 4.33Å; I180-L208 HydrophobicContact CG2-CD2 3.58Å; I180-L208 HydrophobicContact CG2-CG 4.3Å; L204-L208 PolarHBondContact O-N 3.44Å; L205-L208 PolarHBondContact O-N 3.44Å; K206-L208 PolarHBondContact O-N 3.02Å; L208-Y210 VanDerWaalsContact C-N 3.32Å; L208-Y210 PolarHBondContact O-N 3.45Å; L208-V211 WeakPolarHBondContact O-CB 3.15Å; L208-V211 PolarHBondContact O-N 3.1Å; L208-V212 WeakPolarHBondContact O-CG2 3.25Å; L208-V212 PolarHBondContact O-N 3.44Å; L208-V212 VanDerWaalsContact O-N 3.1Å |
| 209 | T | 92.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.1 | -45.1 | 172.7 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | T173 A176 E177 L205 K206 V211 V212 A213 | T173-T209 HydrophobicContact CG2-CG2 3.64Å; T173-T209 VanDerWaalsContact O-CG2 3.31Å; T173-T209 WeakPolarHBondContact O-CG2 3.48Å; A176-T209 HydrophobicContact CB-CG2 4.25Å; E177-T209 WeakPolarHBondContact CA-OG1 3.48Å; E177-T209 HydrophobicContact CB-CG2 3.97Å; L205-T209 PolarHBondContact O-N 3.21Å; L205-T209 PolarHBondContact O-OG1 3.26Å; K206-T209 WeakPolarHBondContact O-CB 3.12Å; K206-T209 PolarHBondContact O-N 3.18Å; T209-V211 VanDerWaalsContact C-N 3.32Å; T209-V211 PolarHBondContact O-N 2.85Å; T209-V212 PolarHBondContact O-N 3.38Å; T209-A213 WeakPolarHBondContact O-CB 3.46Å; T209-A213 PolarHBondContact O-N 2.8Å |
| 210 | Y | 93 | Very high | 90.6 | Very high | 51 Ų | 51 | 29.7 Ų | 29.7 | 20% | 0.2 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.2 | -35.3 | 177.6 | -63.4 | -43.9 | 0 | 0 | 0 | 112.9 | K206 C207 L208 A213 M214 G272 | K206-Y210 HydrophobicContact CB-CE2 4.15Å; K206-Y210 WeakPolarHBondContact O-CD2 3.32Å; K206-Y210 PolarHBondContact O-N 3.33Å; C207-Y210 PolarHBondContact O-N 2.95Å; L208-Y210 VanDerWaalsContact C-N 3.32Å; L208-Y210 PolarHBondContact O-N 3.45Å; Y210-A213 PolarHBondContact O-N 3.04Å; Y210-M214 VanDerWaalsContact O-CB 3.27Å; Y210-M214 WeakPolarHBondContact O-CB 3.4Å; Y210-M214 PolarHBondContact O-N 3.42Å; Y210-G272 PolarHBondContact OH-O 2.92Å |
| 211 | V | 93.6 | Very high | 91 | Very high | 51 Ų | 51 | 27.9 Ų | 27.9 | 31% | 0.309 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 173.6 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | C207 L208 T209 M214 I265 V269 | C207-V211 WeakPolarHBondContact O-CG2 3.42Å; C207-V211 PolarHBondContact O-N 3.27Å; C207-V211 VanDerWaalsContact O-N 3.1Å; L208-V211 WeakPolarHBondContact O-CB 3.15Å; L208-V211 PolarHBondContact O-N 3.1Å; T209-V211 VanDerWaalsContact C-N 3.32Å; T209-V211 PolarHBondContact O-N 2.85Å; V211-M214 WeakPolarHBondContact O-CB 3.42Å; V211-I265 HydrophobicContact CG1-CD1 4.39Å; V211-I265 HydrophobicContact CG2-CG2 3.99Å; V211-V269 HydrophobicContact CG2-CG2 3.61Å |
| 212 | V | 92.6 | Very high | 91.2 | Very high | 62 Ų | 62 | 26.1 Ų | 26.1 | 38% | 0.376 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -69 | -37.9 | 180 | 176.3 | 0 | 0 | 0 | 0 | 111.8 | A176 I180 L208 T209 P215 | A176-V212 HydrophobicContact CB-CB 4.08Å; A176-V212 HydrophobicContact CB-CG1 3.73Å; I180-V212 HydrophobicContact CD1-CG2 4.28Å; L208-V212 WeakPolarHBondContact O-CG2 3.25Å; L208-V212 PolarHBondContact O-N 3.44Å; L208-V212 VanDerWaalsContact O-N 3.1Å; T209-V212 PolarHBondContact O-N 3.38Å; V212-P215 WeakPolarHBondContact O-CD 3.47Å |
| 213 | A | 91.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 3% | 0.033 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -78.1 | -24.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | T173 T209 Y210 F216 Y217 | T173-A213 WeakPolarHBondContact OG1-CB 3.4Å; T209-A213 WeakPolarHBondContact O-CB 3.46Å; T209-A213 PolarHBondContact O-N 2.8Å; Y210-A213 PolarHBondContact O-N 3.04Å; A213-F216 PolarHBondContact O-N 2.89Å; A213-F216 VanDerWaalsContact O-N 3.12Å; A213-Y217 PolarHBondContact O-N 3.29Å |
| 214 | M | 92.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.025 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -46.5 | -47.9 | -176.5 | 177.8 | -86.2 | 167.7 | 0 | 0 | 116.2 | Y210 V211 F216 Y217 S218 L261 L264 T268 H342 | Y210-M214 VanDerWaalsContact O-CB 3.27Å; Y210-M214 WeakPolarHBondContact O-CB 3.4Å; Y210-M214 PolarHBondContact O-N 3.42Å; V211-M214 WeakPolarHBondContact O-CB 3.42Å; M214-F216 VanDerWaalsContact C-N 3.35Å; M214-F216 PolarHBondContact O-N 3.42Å; M214-Y217 PolarHBondContact O-N 3.06Å; M214-S218 PolarHBondContact O-N 2.91Å; M214-S218 PolarHBondContact O-OG 2.97Å; M214-L261 HydrophobicContact CE-CB 4.41Å; M214-L261 HydrophobicContact CE-CD2 3.61Å; M214-L261 HydrophobicContact SD-CB 4.46Å; M214-L261 HydrophobicContact SD-CD2 4Å; M214-L264 HydrophobicContact CE-CB 3.24Å; M214-L264 HydrophobicContact CE-CD1 3.53Å; M214-L264 HydrophobicContact CE-CG 4.02Å; M214-T268 HydrophobicContact CB-CG2 4.15Å; M214-T268 HydrophobicContact CG-CG2 4.06Å; M214-H342 VanDerWaalsContact CE-CE1 3.43Å; M214-H342 WeakPolarHBondContact CE-CE1 3.5Å |
| 215 | P | 91.4 | Very high | 91.6 | Very high | 8 Ų | 8 | 20.1 Ų | 20.1 | 5% | 0.052 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66 | -35.5 | -179.1 | 23.1 | -34.5 | 0 | 0 | 0 | 113 | V212 S218 A219 R246 V247 | V212-P215 WeakPolarHBondContact O-CD 3.47Å; P215-S218 WeakPolarHBondContact O-CB 3.5Å; P215-S218 PolarHBondContact O-N 3.45Å; P215-A219 PolarHBondContact O-N 2.93Å; P215-R246 HydrophobicContact CB-CB 4.1Å; P215-V247 HydrophobicContact CB-CG2 3.81Å; P215-V247 HydrophobicContact CG-CG2 3.52Å |
| 216 | F | 92.2 | Very high | 91.6 | Very high | 25 Ų | 25 | 22.6 Ų | 22.6 | 11% | 0.11 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73.8 | -39.6 | 175.7 | -57.8 | -85.1 | 0 | 0 | 0 | 111.3 | V169 V172 A213 M214 S218 A219 S220 I240 I244 | V169-F216 VanDerWaalsContact CG2-C 3.46Å; V169-F216 HydrophobicContact CG2-CB 3.92Å; V169-F216 VanDerWaalsContact CG2-O 3.31Å; V169-F216 WeakPolarHBondContact CG2-O 3.47Å; V172-F216 HydrophobicContact CG1-CD2 3.71Å; V172-F216 HydrophobicContact CG1-CE2 3.93Å; V172-F216 HydrophobicContact CG1-CG 4.27Å; V172-F216 HydrophobicContact CG2-CD1 4.43Å; V172-F216 HydrophobicContact CG2-CG 4.36Å; A213-F216 PolarHBondContact O-N 2.89Å; A213-F216 VanDerWaalsContact O-N 3.12Å; M214-F216 VanDerWaalsContact C-N 3.35Å; M214-F216 PolarHBondContact O-N 3.42Å; F216-S218 VanDerWaalsContact C-N 3.26Å; F216-S218 PolarHBondContact O-N 3.12Å; F216-A219 WeakPolarHBondContact O-CB 3.48Å; F216-A219 PolarHBondContact O-N 3.5Å; F216-A219 VanDerWaalsContact O-N 3.14Å; F216-S220 PolarHBondContact O-N 3.46Å; F216-I240 HydrophobicContact CE1-CG2 4.26Å; F216-I244 HydrophobicContact CE1-CG1 4.2Å; F216-I244 HydrophobicContact CZ-CG1 4.1Å |
| 217 | Y | 92.3 | Very high | 91.5 | Very high | 44 Ų | 44 | 22.4 Ų | 22.4 | 17% | 0.173 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57 | -42.7 | 172.2 | 170.3 | -100.6 | 0 | 0 | 0 | 111.3 | A213 M214 A219 S220 L221 L338 H339 H342 | A213-Y217 PolarHBondContact O-N 3.29Å; M214-Y217 PolarHBondContact O-N 3.06Å; Y217-A219 PolarHBondContact O-N 3.28Å; Y217-S220 PolarHBondContact O-N 2.99Å; Y217-L221 VanDerWaalsContact O-CB 3.3Å; Y217-L221 WeakPolarHBondContact O-CB 3.47Å; Y217-L221 PolarHBondContact O-N 2.95Å; Y217-L338 HydrophobicContact CE1-CD2 4.24Å; Y217-H339 PolarHBondContact OH-CD2 3.11Å; Y217-H339 PolarHBondContact OH-NE2 2.91Å; Y217-H342 AromaticContact CD1-CE1 3.8Å; Y217-H342 AromaticContact CE1-CD2 3.98Å; Y217-H342 AromaticContact CE1-NE2 3.84Å |
| 218 | S | 90.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 175.2 | -51.6 | 0 | 0 | 0 | 0 | 112.2 | M214 P215 F216 L221 I222 H342 | M214-S218 PolarHBondContact O-N 2.91Å; M214-S218 PolarHBondContact O-OG 2.97Å; P215-S218 WeakPolarHBondContact O-CB 3.5Å; P215-S218 PolarHBondContact O-N 3.45Å; F216-S218 VanDerWaalsContact C-N 3.26Å; F216-S218 PolarHBondContact O-N 3.12Å; S218-L221 PolarHBondContact O-N 3.44Å; S218-I222 WeakPolarHBondContact O-CD1 3.33Å; S218-I222 WeakPolarHBondContact O-CG1 3.46Å; S218-I222 PolarHBondContact O-N 3.19Å; S218-I222 VanDerWaalsContact O-N 3.16Å; S218-H342 PolarHBondContact OG-CE1 2.94Å; S218-H342 VanDerWaalsContact OG-CE1 3.3Å; S218-H342 PolarHBondContact OG-ND1 3.13Å |
| 219 | A | 89.1 | Confident | 90.3 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 6% | 0.058 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.6 | -47.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P215 F216 Y217 L221 I222 E223 E242 | P215-A219 PolarHBondContact O-N 2.93Å; F216-A219 WeakPolarHBondContact O-CB 3.48Å; F216-A219 PolarHBondContact O-N 3.5Å; F216-A219 VanDerWaalsContact O-N 3.14Å; Y217-A219 PolarHBondContact O-N 3.28Å; A219-L221 PolarHBondContact O-N 2.87Å; A219-I222 PolarHBondContact O-N 3.48Å; A219-E223 PolarHBondContact O-N 2.81Å; A219-E223 VanDerWaalsContact O-N 3.09Å; A219-E242 HydrophobicContact CB-CB 4.24Å; A219-E242 HydrophobicContact CB-CG 4.13Å |
| 220 | S | 91.4 | Very high | 89.3 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 177.6 | -179 | 0 | 0 | 0 | 0 | 111.8 | S165 T166 F216 Y217 I222 E223 T224 | S165-S220 PolarHBondContact OG-OG 3.47Å; T166-S220 WeakPolarHBondContact CG2-OG 3.45Å; T166-S220 PolarHBondContact N-OG 3.14Å; F216-S220 PolarHBondContact O-N 3.46Å; Y217-S220 PolarHBondContact O-N 2.99Å; S220-I222 VanDerWaalsContact C-N 3.34Å; S220-I222 PolarHBondContact O-N 3.42Å; S220-E223 PolarHBondContact O-N 3.39Å; S220-T224 WeakPolarHBondContact O-CG2 3.44Å; S220-T224 PolarHBondContact O-N 3.41Å; S220-T224 PolarHBondContact O-OG1 2.87Å |
| 221 | L | 92 | Very high | 88.1 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.7 | -50 | 177 | 178 | 64.2 | 0 | 0 | 0 | 110.8 | R125 Y217 S218 A219 E223 T224 V225 H339 H342 | R125-L221 HydrophobicContact CB-CD1 4.45Å; R125-L221 HydrophobicContact CG-CD1 4.17Å; Y217-L221 VanDerWaalsContact O-CB 3.3Å; Y217-L221 WeakPolarHBondContact O-CB 3.47Å; Y217-L221 PolarHBondContact O-N 2.95Å; S218-L221 PolarHBondContact O-N 3.44Å; A219-L221 PolarHBondContact O-N 2.87Å; L221-E223 VanDerWaalsContact C-N 3.33Å; L221-E223 PolarHBondContact O-N 2.83Å; L221-T224 WeakPolarHBondContact CA-OG1 3.12Å; L221-T224 PolarHBondContact O-N 3.09Å; L221-T224 VanDerWaalsContact O-N 3.15Å; L221-T224 PolarHBondContact O-OG1 3.5Å; L221-V225 WeakPolarHBondContact O-CG2 3.43Å; L221-V225 PolarHBondContact O-N 3.38Å; L221-H339 HydrophobicContact CD1-CB 4.5Å; L221-H339 HydrophobicContact CD2-CB 4.2Å; L221-H342 HydrophobicContact CD2-CB 3.56Å |
| 222 | I | 90.1 | Very high | 86.6 | Confident | 18 Ų | 18 | 31.6 Ų | 31.6 | 9% | 0.092 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.2 | -48 | 176.7 | -69.8 | 160.5 | 0 | 0 | 0 | 110.7 | S218 A219 S220 T224 V225 Q226 I343 T346 T348 | S218-I222 WeakPolarHBondContact O-CD1 3.33Å; S218-I222 WeakPolarHBondContact O-CG1 3.46Å; S218-I222 PolarHBondContact O-N 3.19Å; S218-I222 VanDerWaalsContact O-N 3.16Å; A219-I222 PolarHBondContact O-N 3.48Å; S220-I222 VanDerWaalsContact C-N 3.34Å; S220-I222 PolarHBondContact O-N 3.42Å; I222-T224 VanDerWaalsContact C-N 3.28Å; I222-T224 PolarHBondContact O-N 3Å; I222-V225 WeakPolarHBondContact O-CG2 3.46Å; I222-V225 PolarHBondContact O-N 3.27Å; I222-Q226 VanDerWaalsContact O-CB 3.24Å; I222-Q226 WeakPolarHBondContact O-CB 3.41Å; I222-Q226 PolarHBondContact O-N 3.42Å; I222-I343 HydrophobicContact CG1-CG1 4.2Å; I222-T346 HydrophobicContact CD1-CG2 3.78Å; I222-T346 HydrophobicContact CG1-CG2 4.4Å; I222-T348 HydrophobicContact CB-CG2 4.47Å; I222-T348 HydrophobicContact CG1-CG2 4.4Å; I222-T348 HydrophobicContact CG2-CG2 3.5Å |
| 223 | E | 89.7 | Confident | 84.9 | Confident | 35 Ų | 35 | 36 Ų | 36 | 16% | 0.164 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -32.3 | 180 | -167.3 | -173.9 | 159.7 | 0 | 0 | 112.9 | S165 A219 S220 L221 V225 R231 | S165-E223 WeakPolarHBondContact CB-OE2 3.2Å; S165-E223 PolarHBondContact OG-OE2 2.84Å; A219-E223 PolarHBondContact O-N 2.81Å; A219-E223 VanDerWaalsContact O-N 3.09Å; S220-E223 PolarHBondContact O-N 3.39Å; L221-E223 VanDerWaalsContact C-N 3.33Å; L221-E223 PolarHBondContact O-N 2.83Å; E223-V225 VanDerWaalsContact C-N 3.31Å; E223-V225 PolarHBondContact O-N 2.9Å; E223-R231 VanDerWaalsContact CG-NH1 3.31Å; E223-R231 PolarHBondContact O-NH1 3.4Å; E223-R231 VanDerWaalsContact O-NH1 3.16Å; E223-R231 IonicContact OE1-NH1 3.9Å |
| 224 | T | 91.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -75.6 | -15.2 | 177.3 | 57.8 | 0 | 0 | 0 | 0 | 114.3 | R125 K161 T166 S220 L221 I222 | R125-T224 WeakPolarHBondContact CD-OG1 3.38Å; R125-T224 PolarHBondContact NH1-OG1 3.06Å; R125-T224 VanDerWaalsContact NH1-OG1 3.13Å; K161-T224 WeakPolarHBondContact CE-O 3.49Å; T166-T224 HydrophobicContact CG2-CG2 3.94Å; S220-T224 WeakPolarHBondContact O-CG2 3.44Å; S220-T224 PolarHBondContact O-N 3.41Å; S220-T224 PolarHBondContact O-OG1 2.87Å; L221-T224 WeakPolarHBondContact CA-OG1 3.12Å; L221-T224 PolarHBondContact O-N 3.09Å; L221-T224 VanDerWaalsContact O-N 3.15Å; L221-T224 PolarHBondContact O-OG1 3.5Å; I222-T224 VanDerWaalsContact C-N 3.28Å; I222-T224 PolarHBondContact O-N 3Å |
| 225 | V | 91.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -117.4 | -20.2 | -179.7 | -58.4 | 0 | 0 | 0 | 0 | 113.2 | R125 Q126 V129 K161 L221 I222 E223 S227 I343 I350 | R125-V225 HydrophobicContact CB-CG1 3.57Å; Q126-V225 PolarHBondContact NE2-O 2.8Å; Q126-V225 VanDerWaalsContact OE1-CB 3.27Å; Q126-V225 PolarHBondContact OE1-O 3.32Å; V129-V225 HydrophobicContact CG2-CB 4.26Å; V129-V225 HydrophobicContact CG2-CG1 4.26Å; V129-V225 HydrophobicContact CG2-CG2 4.49Å; K161-V225 PolarHBondContact NZ-O 2.98Å; L221-V225 WeakPolarHBondContact O-CG2 3.43Å; L221-V225 PolarHBondContact O-N 3.38Å; I222-V225 WeakPolarHBondContact O-CG2 3.46Å; I222-V225 PolarHBondContact O-N 3.27Å; E223-V225 VanDerWaalsContact C-N 3.31Å; E223-V225 PolarHBondContact O-N 2.9Å; V225-S227 PolarHBondContact O-N 2.9Å; V225-I343 HydrophobicContact CB-CD1 4.39Å; V225-I343 HydrophobicContact CG2-CD1 3.06Å; V225-I350 HydrophobicContact CB-CG2 4.26Å; V225-I350 HydrophobicContact CG2-CG2 4.3Å |
| 226 | Q | 90.6 | Very high | 81.5 | Confident | 51 Ų | 51 | 46.2 Ų | 46.2 | 24% | 0.238 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -60.9 | 134.5 | 173.8 | -174.4 | 173.8 | 2.2 | 0 | 0 | 111.1 | K161 I222 | K161-Q226 WeakPolarHBondContact CD-O 3.19Å; K161-Q226 PolarHBondContact NZ-O 2.86Å; I222-Q226 VanDerWaalsContact O-CB 3.24Å; I222-Q226 WeakPolarHBondContact O-CB 3.41Å; I222-Q226 PolarHBondContact O-N 3.42Å |
| 227 | S | 87.9 | Confident | 81 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -64.5 | 136.9 | 178.4 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | V225 I229 I230 R231 I349 D351 V359 | V225-S227 PolarHBondContact O-N 2.9Å; S227-I229 PolarHBondContact O-N 3.35Å; S227-I229 PolarHBondContact OG-N 3.28Å; S227-I230 PolarHBondContact O-N 2.8Å; S227-R231 PolarHBondContact O-N 3.3Å; S227-I349 PolarHBondContact N-O 3.31Å; S227-D351 WeakPolarHBondContact CB-OD1 3.43Å; S227-D351 PolarHBondContact OG-OD1 3.25Å; S227-V359 WeakPolarHBondContact OG-CG1 3.49Å | ||
| 228 | E | 82.8 | Confident | 80.6 | Confident | 36 Ų | 36 | 52.4 Ų | 52.4 | 17% | 0.168 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -25.4 | 177.7 | -67.3 | -155.2 | 141.5 | 0 | 0 | 112.6 | A158 K161 I230 R231 | A158-E228 VanDerWaalsContact CA-CD 3.48Å; A158-E228 VanDerWaalsContact CA-OE2 3.24Å; A158-E228 WeakPolarHBondContact CA-OE2 3.4Å; A158-E228 HydrophobicContact CB-CG 4.35Å; A158-E228 PolarHBondContact N-OE2 3Å; K161-E228 HydrophobicContact CB-CG 4.23Å; K161-E228 HydrophobicContact CD-CG 4.24Å; E228-I230 PolarHBondContact O-N 2.88Å; E228-I230 VanDerWaalsContact O-N 3.13Å; E228-R231 PolarHBondContact O-N 3.19Å; E228-R231 VanDerWaalsContact O-N 3.14Å; E228-R231 IonicContact OE1-CZ 3.54Å; E228-R231 IonicContact OE1-NH2 3.34Å; E228-R231 PolarHBondContact OE1-NH2 3.26Å |
| 229 | I | 76.1 | Confident | 80.3 | Confident | 114 Ų | 114 | 52.5 Ų | 52.5 | 59% | 0.585 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.4 | -179.5 | -59.8 | 170.4 | 0 | 0 | 0 | 111.5 | Q154 S227 V359 | Q154-I229 HydrophobicContact CG-CD1 4.29Å; Q154-I229 HydrophobicContact CG-CG1 4.29Å; S227-I229 PolarHBondContact O-N 3.35Å; S227-I229 PolarHBondContact OG-N 3.28Å; I229-V359 HydrophobicContact CD1-CG1 4.02Å |
| 230 | I | 72 | Confident | 80.2 | Confident | 69 Ų | 69 | 54.9 Ų | 54.9 | 35% | 0.354 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -13.4 | -176.5 | -64.1 | 156.1 | 0 | 0 | 0 | 111.3 | S227 E228 D232 I349 V359 | S227-I230 PolarHBondContact O-N 2.8Å; E228-I230 PolarHBondContact O-N 2.88Å; E228-I230 VanDerWaalsContact O-N 3.13Å; I230-D232 PolarHBondContact O-N 2.98Å; I230-I349 HydrophobicContact CD1-CB 3.5Å; I230-I349 HydrophobicContact CD1-CD1 3.62Å; I230-I349 HydrophobicContact CD1-CG1 4.14Å; I230-I349 HydrophobicContact CD1-CG2 3.27Å; I230-V359 HydrophobicContact CD1-CG2 4.34Å |
| 231 | R | 68.7 | Low | 79.9 | Confident | 43 Ų | 43 | 60.8 Ų | 60.8 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | trans | -83.2 | 107.2 | -175.8 | -172.3 | 171.9 | 66.3 | -167.6 | -0.6 | 109.8 | E223 S227 E228 | E223-R231 VanDerWaalsContact CG-NH1 3.31Å; E223-R231 PolarHBondContact O-NH1 3.4Å; E223-R231 VanDerWaalsContact O-NH1 3.16Å; E223-R231 IonicContact OE1-NH1 3.9Å; S227-R231 PolarHBondContact O-N 3.3Å; E228-R231 PolarHBondContact O-N 3.19Å; E228-R231 VanDerWaalsContact O-N 3.14Å; E228-R231 IonicContact OE1-CZ 3.54Å; E228-R231 IonicContact OE1-NH2 3.34Å; E228-R231 PolarHBondContact OE1-NH2 3.26Å | ||
| 232 | D | 62.2 | Low | 79.5 | Confident | 136 Ų | 136 | 64 Ų | 64 | 73% | 0.727 | 34% | 0.335 | S | S | * | . | trans | -58.8 | 144.4 | 165.1 | -68 | -35.7 | 0 | 0 | 0 | 109.9 | I230 T234 | I230-D232 PolarHBondContact O-N 2.98Å; D232-T234 VanDerWaalsContact C-N 3.27Å; D232-T234 PolarHBondContact O-N 3.35Å; D232-T234 PolarHBondContact O-OG1 2.95Å | ||
| 233 | N | 55.8 | Low | 79.1 | Confident | 156 Ų | 156 | 63.2 Ų | 63.2 | 83% | 0.834 | 33% | 0.33 | S | S | * | . | trans | -56.4 | 87.9 | -179.1 | -80.8 | -46.6 | 0 | 0 | 0 | 111 | ||||
| 234 | T | 60 | Low | 78.9 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | trans | -100.5 | 135.6 | -177.3 | 31.3 | 0 | 0 | 0 | 0 | 108.1 | D232 E238 | D232-T234 VanDerWaalsContact C-N 3.27Å; D232-T234 PolarHBondContact O-N 3.35Å; D232-T234 PolarHBondContact O-OG1 2.95Å; T234-E238 HydrophobicContact CG2-CG 4.21Å | ||
| 235 | G | 69.4 | Low | 78.4 | Confident | 48 Ų | 48 | 65.7 Ų | 65.7 | 50% | 0.495 | 35% | 0.347 | S | S | . | . | trans | -69.4 | 157.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L237 E238 | G235-L237 PolarHBondContact O-N 2.92Å; G235-E238 WeakPolarHBondContact O-CB 3.47Å; G235-E238 PolarHBondContact O-N 3.16Å | ||
| 236 | I | 76.1 | Confident | 77.8 | Confident | 105 Ų | 105 | 66.8 Ų | 66.8 | 54% | 0.538 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -27.3 | 178.9 | -60.5 | 168.4 | 0 | 0 | 0 | 111.9 | I168 E238 | I168-I236 HydrophobicContact CD1-CG2 3.48Å; I168-I236 VanDerWaalsContact CD1-CG2 3.48Å; I168-I236 WeakPolarHBondContact CD1-O 3.43Å; I168-I236 HydrophobicContact CG1-CG2 4.36Å; I236-E238 VanDerWaalsContact C-N 3.3Å; I236-E238 PolarHBondContact O-N 2.99Å |
| 237 | L | 80.9 | Confident | 77.4 | Confident | 128 Ų | 128 | 69 Ų | 69 | 67% | 0.67 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -13.7 | 179 | -59.1 | 178.8 | 0 | 0 | 0 | 114.4 | G235 C239 I240 K241 | G235-L237 PolarHBondContact O-N 2.92Å; L237-C239 PolarHBondContact O-N 2.88Å; L237-I240 HydrophobicContact CD2-CD1 3.99Å; L237-I240 WeakPolarHBondContact O-CB 3.47Å; L237-I240 PolarHBondContact O-N 3.43Å; L237-K241 PolarHBondContact O-N 2.79Å |
| 238 | E | 83.4 | Confident | 77 | Confident | 72 Ų | 72 | 74.2 Ų | 74.2 | 34% | 0.336 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.2 | -30.6 | 177 | -73.4 | -65.5 | 142.6 | 0 | 0 | 111.4 | T234 G235 I236 I240 K241 E242 | T234-E238 HydrophobicContact CG2-CG 4.21Å; G235-E238 WeakPolarHBondContact O-CB 3.47Å; G235-E238 PolarHBondContact O-N 3.16Å; I236-E238 VanDerWaalsContact C-N 3.3Å; I236-E238 PolarHBondContact O-N 2.99Å; E238-I240 VanDerWaalsContact C-N 3.3Å; E238-I240 PolarHBondContact O-N 2.6Å; E238-K241 VanDerWaalsContact CD-NZ 3.33Å; E238-K241 PolarHBondContact O-N 2.98Å; E238-K241 IonicContact OE1-NZ 3.92Å; E238-K241 PolarHBondContact OE1-NZ 3.42Å; E238-K241 IonicContact OE2-NZ 3.01Å; E238-K241 PolarHBondContact OE2-NZ 3.17Å; E238-E242 WeakPolarHBondContact O-CB 3.3Å; E238-E242 PolarHBondContact O-N 3.45Å |
| 239 | C | 84.2 | Confident | 76.4 | Confident | 4 Ų | 4 | 74.6 Ų | 74.6 | 3% | 0.027 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 171.4 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | S165 I168 L237 G243 | S165-C239 VanDerWaalsContact CB-SG 3.5Å; I168-C239 HydrophobicContact CD1-CB 4.34Å; L237-C239 PolarHBondContact O-N 2.88Å; C239-G243 PolarHBondContact O-N 3.49Å |
| 240 | I | 86.8 | Confident | 75.5 | Confident | 57 Ų | 57 | 75.3 Ų | 75.3 | 29% | 0.292 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67 | -47.8 | 178.4 | -63.4 | 175.4 | 0 | 0 | 0 | 109.8 | I168 F216 L237 E238 E242 G243 I244 | I168-I240 HydrophobicContact CD1-CD1 4.19Å; I168-I240 HydrophobicContact CD1-CG1 4.08Å; I168-I240 HydrophobicContact CG2-CD1 4.16Å; I168-I240 HydrophobicContact CG2-CG1 3.65Å; F216-I240 HydrophobicContact CE1-CG2 4.26Å; L237-I240 HydrophobicContact CD2-CD1 3.99Å; L237-I240 WeakPolarHBondContact O-CB 3.47Å; L237-I240 PolarHBondContact O-N 3.43Å; E238-I240 VanDerWaalsContact C-N 3.3Å; E238-I240 PolarHBondContact O-N 2.6Å; I240-E242 PolarHBondContact O-N 3.13Å; I240-G243 PolarHBondContact O-N 3.16Å; I240-I244 HydrophobicContact CG2-CD1 3.7Å; I240-I244 HydrophobicContact CG2-CG1 4.36Å; I240-I244 WeakPolarHBondContact O-CB 3.31Å; I240-I244 VanDerWaalsContact O-CG1 3.3Å; I240-I244 WeakPolarHBondContact O-CG1 3.25Å; I240-I244 PolarHBondContact O-N 3.37Å |
| 241 | K | 85.7 | Confident | 74.6 | Confident | 127 Ų | 127 | 75 Ų | 75 | 55% | 0.552 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59.9 | -46.6 | 179.5 | 175.2 | 175.7 | 153.4 | -139.3 | 0 | 111.8 | L237 E238 I244 G245 | L237-K241 PolarHBondContact O-N 2.79Å; E238-K241 VanDerWaalsContact CD-NZ 3.33Å; E238-K241 PolarHBondContact O-N 2.98Å; E238-K241 IonicContact OE1-NZ 3.92Å; E238-K241 PolarHBondContact OE1-NZ 3.42Å; E238-K241 IonicContact OE2-NZ 3.01Å; E238-K241 PolarHBondContact OE2-NZ 3.17Å; K241-I244 PolarHBondContact O-N 3.39Å; K241-G245 PolarHBondContact O-N 3.43Å |
| 242 | E | 83.6 | Confident | 73.9 | Confident | 69 Ų | 69 | 74.3 Ų | 74.3 | 32% | 0.322 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 178 | -176.9 | 73.1 | -173.2 | 0 | 0 | 111.2 | A219 E238 I240 G245 R246 | A219-E242 HydrophobicContact CB-CB 4.24Å; A219-E242 HydrophobicContact CB-CG 4.13Å; E238-E242 WeakPolarHBondContact O-CB 3.3Å; E238-E242 PolarHBondContact O-N 3.45Å; I240-E242 PolarHBondContact O-N 3.13Å; E242-G245 PolarHBondContact O-N 3.14Å; E242-R246 WeakPolarHBondContact O-CB 3.18Å; E242-R246 WeakPolarHBondContact O-CG 3.32Å; E242-R246 PolarHBondContact O-N 3.13Å; E242-R246 IonicContact OE1-CZ 2.69Å; E242-R246 IonicContact OE1-NH1 3.65Å; E242-R246 IonicContact OE1-NH2 3.84Å; E242-R246 PolarHBondContact OE1-NH2 2.79Å |
| 243 | G | 82.2 | Confident | 73.4 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C239 I240 R246 V247 | C239-G243 PolarHBondContact O-N 3.49Å; I240-G243 PolarHBondContact O-N 3.16Å; G243-R246 WeakPolarHBondContact O-CB 3.18Å; G243-R246 PolarHBondContact O-N 3.29Å; G243-V247 WeakPolarHBondContact O-CG2 3.4Å; G243-V247 PolarHBondContact O-N 3.48Å |
| 244 | I | 84.8 | Confident | 73 | Confident | 75 Ų | 75 | 71.9 Ų | 71.9 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 175.4 | -67.7 | 171 | 0 | 0 | 0 | 110.8 | F216 I240 K241 R246 V247 I248 | F216-I244 HydrophobicContact CE1-CG1 4.2Å; F216-I244 HydrophobicContact CZ-CG1 4.1Å; I240-I244 HydrophobicContact CG2-CD1 3.7Å; I240-I244 HydrophobicContact CG2-CG1 4.36Å; I240-I244 WeakPolarHBondContact O-CB 3.31Å; I240-I244 VanDerWaalsContact O-CG1 3.3Å; I240-I244 WeakPolarHBondContact O-CG1 3.25Å; I240-I244 PolarHBondContact O-N 3.37Å; K241-I244 PolarHBondContact O-N 3.39Å; I244-R246 VanDerWaalsContact C-N 3.29Å; I244-R246 PolarHBondContact O-N 2.99Å; I244-V247 WeakPolarHBondContact O-CB 3.1Å; I244-V247 PolarHBondContact O-N 2.86Å; I244-I248 HydrophobicContact CG2-CD1 3.46Å; I244-I248 VanDerWaalsContact CG2-CD1 3.46Å; I244-I248 HydrophobicContact CG2-CG1 4.13Å; I244-I248 WeakPolarHBondContact O-CG1 3.49Å; I244-I248 PolarHBondContact O-N 2.89Å |
| 245 | G | 81.1 | Confident | 72.7 | Confident | 12 Ų | 12 | 70.1 Ų | 70.1 | 12% | 0.124 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.1 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K241 E242 I248 G249 L250 | K241-G245 PolarHBondContact O-N 3.43Å; E242-G245 PolarHBondContact O-N 3.14Å; G245-I248 PolarHBondContact O-N 3.06Å; G245-G249 CarbonylContact O-C 3.27Å; G245-G249 WeakPolarHBondContact O-CA 3.37Å; G245-G249 PolarHBondContact O-N 3.06Å; G245-L250 CarbonylContact C-O 3.56Å; G245-L250 VanDerWaalsContact C-O 3.27Å; G245-L250 WeakPolarHBondContact CA-O 3.29Å; G245-L250 PolarHBondContact O-N 3.44Å; G245-L250 VanDerWaalsContact O-O 3.09Å |
| 246 | R | 80.4 | Confident | 71.8 | Confident | 23 Ų | 23 | 78 Ų | 78 | 9% | 0.087 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58.4 | -46.3 | 171 | -83.1 | -173.9 | -178.9 | 90.7 | 26.9 | 112.1 | P215 E242 G243 I244 G249 V252 L261 | P215-R246 HydrophobicContact CB-CB 4.1Å; E242-R246 WeakPolarHBondContact O-CB 3.18Å; E242-R246 WeakPolarHBondContact O-CG 3.32Å; E242-R246 PolarHBondContact O-N 3.13Å; E242-R246 IonicContact OE1-CZ 2.69Å; E242-R246 IonicContact OE1-NH1 3.65Å; E242-R246 IonicContact OE1-NH2 3.84Å; E242-R246 PolarHBondContact OE1-NH2 2.79Å; G243-R246 WeakPolarHBondContact O-CB 3.18Å; G243-R246 PolarHBondContact O-N 3.29Å; I244-R246 VanDerWaalsContact C-N 3.29Å; I244-R246 PolarHBondContact O-N 2.99Å; R246-G249 PolarHBondContact O-N 2.99Å; R246-V252 HydrophobicContact CG-CG2 4.15Å; R246-L261 VanDerWaalsContact C-CD1 3.46Å; R246-L261 HydrophobicContact CB-CD1 3.73Å; R246-L261 HydrophobicContact CB-CD2 4.45Å; R246-L261 HydrophobicContact CG-CD1 4.48Å; R246-L261 WeakPolarHBondContact O-CD1 3.5Å |
| 247 | V | 81.7 | Confident | 71 | Confident | 98 Ų | 98 | 78.6 Ų | 78.6 | 59% | 0.594 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 179.2 | 174.8 | 0 | 0 | 0 | 0 | 112.3 | P215 G243 I244 G249 | P215-V247 HydrophobicContact CB-CG2 3.81Å; P215-V247 HydrophobicContact CG-CG2 3.52Å; G243-V247 WeakPolarHBondContact O-CG2 3.4Å; G243-V247 PolarHBondContact O-N 3.48Å; I244-V247 WeakPolarHBondContact O-CB 3.1Å; I244-V247 PolarHBondContact O-N 2.86Å; V247-G249 VanDerWaalsContact C-N 3.28Å; V247-G249 PolarHBondContact O-N 3.49Å |
| 248 | I | 78.9 | Confident | 70.3 | Confident | 109 Ų | 109 | 74.9 Ų | 74.9 | 56% | 0.559 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -79.7 | -13.8 | -176.1 | -59.2 | 175.9 | 0 | 0 | 0 | 111.4 | I244 G245 L250 | I244-I248 HydrophobicContact CG2-CD1 3.46Å; I244-I248 VanDerWaalsContact CG2-CD1 3.46Å; I244-I248 HydrophobicContact CG2-CG1 4.13Å; I244-I248 WeakPolarHBondContact O-CG1 3.49Å; I244-I248 PolarHBondContact O-N 2.89Å; G245-I248 PolarHBondContact O-N 3.06Å; I248-L250 HydrophobicContact CB-CB 4.38Å; I248-L250 HydrophobicContact CG2-CB 4.06Å; I248-L250 HydrophobicContact CG2-CD1 3.69Å; I248-L250 PolarHBondContact O-N 3.1Å |
| 249 | G | 69.8 | Low | 69.4 | Low | 44 Ų | 44 | 72.6 Ų | 72.6 | 45% | 0.454 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 11.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G245 R246 V247 | G245-G249 CarbonylContact O-C 3.27Å; G245-G249 WeakPolarHBondContact O-CA 3.37Å; G245-G249 PolarHBondContact O-N 3.06Å; R246-G249 PolarHBondContact O-N 2.99Å; V247-G249 VanDerWaalsContact C-N 3.28Å; V247-G249 PolarHBondContact O-N 3.49Å |
| 250 | L | 57.7 | Low | 68.8 | Low | 129 Ų | 129 | 76.4 Ų | 76.4 | 68% | 0.675 | 41% | 0.414 | S | S | * | . | trans | -98.8 | 117.4 | -179.2 | -117.6 | 133.6 | 0 | 0 | 0 | 109.1 | G245 I248 | G245-L250 CarbonylContact C-O 3.56Å; G245-L250 VanDerWaalsContact C-O 3.27Å; G245-L250 WeakPolarHBondContact CA-O 3.29Å; G245-L250 PolarHBondContact O-N 3.44Å; G245-L250 VanDerWaalsContact O-O 3.09Å; I248-L250 HydrophobicContact CB-CB 4.38Å; I248-L250 HydrophobicContact CG2-CB 4.06Å; I248-L250 HydrophobicContact CG2-CD1 3.69Å; I248-L250 PolarHBondContact O-N 3.1Å | ||
| 251 | G | 53.3 | Low | 68.4 | Low | 62 Ų | 62 | 76.1 Ų | 76.1 | 64% | 0.639 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 98.9 | -2.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | P253 | G251-P253 WeakPolarHBondContact O-CD 3.27Š|
| 252 | V | 53.9 | Low | 68 | Low | 30 Ų | 30 | 76.7 Ų | 76.7 | 18% | 0.182 | 42% | 0.421 | C | S | . | . | trans | -75.5 | 118.6 | 170.1 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | R246 H254 L258 | R246-V252 HydrophobicContact CG-CG2 4.15Å; V252-H254 PolarHBondContact O-N 3.39Å; V252-H254 PolarHBondContact O-ND1 3.12Å; V252-L258 HydrophobicContact CG1-CD2 3.05Å | ||
| 253 | P | 51.7 | Low | 68.1 | Low | 67 Ų | 67 | 75.9 Ų | 75.9 | 44% | 0.435 | 42% | 0.423 | S | S | . | . | trans | -58.8 | 115.7 | 170.7 | 22.4 | -28.8 | 0 | 0 | 0 | 106.7 | G251 S255 | G251-P253 WeakPolarHBondContact O-CD 3.27Å; P253-S255 PolarHBondContact O-N 2.93Å | ||
| 254 | H | 47.8 | Very low | 68.4 | Low | 174 Ų | 174 | 76.1 Ų | 76.1 | 81% | 0.806 | 42% | 0.424 | S | S | * | . | trans | -68 | 61.5 | 179.6 | -78.4 | 60.6 | 0 | 0 | 0 | 110.2 | V252 | V252-H254 PolarHBondContact O-N 3.39Å; V252-H254 PolarHBondContact O-ND1 3.12Å | ||
| 255 | S | 52.5 | Low | 68.8 | Low | 40 Ų | 40 | 75 Ų | 75 | 28% | 0.28 | 42% | 0.418 | S | S | . | . | trans | -79 | 127.5 | 171.1 | -163.3 | 0 | 0 | 0 | 0 | 106.6 | P253 R257 L258 | P253-S255 PolarHBondContact O-N 2.93Å; S255-R257 PolarHBondContact O-N 2.65Å; S255-L258 PolarHBondContact O-N 3.34Å | ||
| 256 | K | 52.2 | Low | 69.4 | Low | 214 Ų | 214 | 80.5 Ų | 80.5 | 93% | 0.93 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -6.8 | 176.3 | -62.8 | -174.5 | 178.9 | -175.4 | 0 | 114 | ||
| 257 | R | 59.5 | Low | 70.1 | Confident | 117 Ų | 117 | 79.5 Ų | 79.5 | 44% | 0.442 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -12.3 | -178.1 | -59.8 | -174.9 | 178.2 | 180 | -2.5 | 114.4 | S255 N363 | S255-R257 PolarHBondContact O-N 2.65Å; R257-N363 PolarHBondContact NH1-OD1 3.42Å |
| 258 | L | 65.3 | Low | 70.6 | Confident | 49 Ų | 49 | 75.4 Ų | 75.4 | 26% | 0.257 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -84 | 126.8 | 178.3 | -173.2 | 76.9 | 0 | 0 | 0 | 109.4 | V252 S255 Q344 T346 | V252-L258 HydrophobicContact CG1-CD2 3.05Å; S255-L258 PolarHBondContact O-N 3.34Å; L258-Q344 VanDerWaalsContact CD1-O 3.25Å; L258-Q344 WeakPolarHBondContact CD1-O 3.49Å; L258-T346 HydrophobicContact CD1-CG2 3.85Å |
| 259 | L | 63.8 | Low | 71.4 | Confident | 24 Ų | 24 | 71.5 Ų | 71.5 | 13% | 0.126 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 140.4 | 174.2 | -73.2 | -175.7 | 0 | 0 | 0 | 110.8 | L264 L341 Q344 | L259-L264 HydrophobicContact CB-CD2 4.48Å; L259-L264 HydrophobicContact CB-CG 4.4Å; L259-L264 HydrophobicContact CD1-CD2 4.2Å; L259-L341 HydrophobicContact CD1-CD2 4.03Å; L259-Q344 VanDerWaalsContact CG-NE2 3.29Å |
| 260 | P | 73.3 | Confident | 72.6 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 55% | 0.545 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 141.7 | 171.8 | 25.6 | -31.9 | 0 | 0 | 0 | 109.6 | L262 S263 | P260-L262 PolarHBondContact O-N 2.96Å; P260-L262 VanDerWaalsContact O-N 3.09Å; P260-S263 WeakPolarHBondContact O-CB 3.38Å; P260-S263 PolarHBondContact O-N 2.88Å |
| 261 | L | 76.4 | Confident | 74.4 | Confident | 51 Ų | 51 | 67 Ų | 67 | 27% | 0.267 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55.2 | -33.2 | -178.5 | -64.7 | 170.5 | 0 | 0 | 0 | 112.5 | M214 R246 S263 L264 I265 | M214-L261 HydrophobicContact CE-CB 4.41Å; M214-L261 HydrophobicContact CE-CD2 3.61Å; M214-L261 HydrophobicContact SD-CB 4.46Å; M214-L261 HydrophobicContact SD-CD2 4Å; R246-L261 VanDerWaalsContact C-CD1 3.46Å; R246-L261 HydrophobicContact CB-CD1 3.73Å; R246-L261 HydrophobicContact CB-CD2 4.45Å; R246-L261 HydrophobicContact CG-CD1 4.48Å; R246-L261 WeakPolarHBondContact O-CD1 3.5Å; L261-S263 VanDerWaalsContact C-N 3.26Å; L261-S263 PolarHBondContact O-N 2.87Å; L261-L264 HydrophobicContact CD2-CD1 4.41Å; L261-L264 WeakPolarHBondContact O-CA 3.46Å; L261-L264 WeakPolarHBondContact O-CB 3.38Å; L261-L264 PolarHBondContact O-N 3.35Å; L261-I265 PolarHBondContact O-N 3.3Å; L261-I265 VanDerWaalsContact O-N 3.12Å |
| 262 | L | 79.3 | Confident | 76.2 | Confident | 140 Ų | 140 | 64.3 Ų | 64.3 | 73% | 0.733 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -57.7 | -37.2 | 174.7 | -67.3 | 173.8 | 0 | 0 | 0 | 112.7 | P260 L264 I265 | P260-L262 PolarHBondContact O-N 2.96Å; P260-L262 VanDerWaalsContact O-N 3.09Å; L262-L264 PolarHBondContact O-N 3.31Å; L262-I265 HydrophobicContact CD2-CD1 3.77Å; L262-I265 PolarHBondContact O-N 3.06Å |
| 263 | S | 84.4 | Confident | 78.1 | Confident | 51 Ų | 51 | 63.5 Ų | 63.5 | 36% | 0.357 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.5 | -21.1 | 176.5 | -174.8 | 0 | 0 | 0 | 0 | 112.6 | P260 L261 P267 | P260-S263 WeakPolarHBondContact O-CB 3.38Å; P260-S263 PolarHBondContact O-N 2.88Å; L261-S263 VanDerWaalsContact C-N 3.26Å; L261-S263 PolarHBondContact O-N 2.87Å; S263-P267 WeakPolarHBondContact O-CD 3.39Å |
| 264 | L | 89.2 | Confident | 80.1 | Confident | 6 Ų | 6 | 63.3 Ų | 63.3 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -89.2 | -18 | 178.7 | -64.1 | 172.7 | 0 | 0 | 0 | 112.4 | M214 L259 L261 L262 F266 P267 T268 L341 | M214-L264 HydrophobicContact CE-CB 3.24Å; M214-L264 HydrophobicContact CE-CD1 3.53Å; M214-L264 HydrophobicContact CE-CG 4.02Å; L259-L264 HydrophobicContact CB-CD2 4.48Å; L259-L264 HydrophobicContact CB-CG 4.4Å; L259-L264 HydrophobicContact CD1-CD2 4.2Å; L261-L264 HydrophobicContact CD2-CD1 4.41Å; L261-L264 WeakPolarHBondContact O-CA 3.46Å; L261-L264 WeakPolarHBondContact O-CB 3.38Å; L261-L264 PolarHBondContact O-N 3.35Å; L262-L264 PolarHBondContact O-N 3.31Å; L264-F266 VanDerWaalsContact C-N 3.32Å; L264-F266 PolarHBondContact O-N 3.28Å; L264-P267 WeakPolarHBondContact O-CD 3.44Å; L264-P267 VanDerWaalsContact O-CG 3.24Å; L264-P267 WeakPolarHBondContact O-CG 3.42Å; L264-T268 WeakPolarHBondContact O-CB 3.16Å; L264-T268 PolarHBondContact O-N 2.95Å; L264-T268 VanDerWaalsContact O-N 3.09Å; L264-T268 PolarHBondContact O-OG1 3.36Å; L264-L341 HydrophobicContact CD2-CB 3.69Å; L264-L341 WeakPolarHBondContact CD2-O 3.43Å |
| 265 | I | 91.8 | Very high | 82.3 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -53.5 | -50.3 | 176.3 | -70 | 174.8 | 0 | 0 | 0 | 111.2 | V211 L261 L262 T268 V269 | V211-I265 HydrophobicContact CG1-CD1 4.39Å; V211-I265 HydrophobicContact CG2-CG2 3.99Å; L261-I265 PolarHBondContact O-N 3.3Å; L261-I265 VanDerWaalsContact O-N 3.12Å; L262-I265 HydrophobicContact CD2-CD1 3.77Å; L262-I265 PolarHBondContact O-N 3.06Å; I265-T268 PolarHBondContact O-N 3.43Å; I265-V269 HydrophobicContact CG2-CG2 4.03Å; I265-V269 WeakPolarHBondContact O-CB 3.39Å; I265-V269 VanDerWaalsContact O-CG2 3.29Å; I265-V269 WeakPolarHBondContact O-CG2 3.26Å; I265-V269 PolarHBondContact O-N 3.37Å |
| 266 | F | 94.2 | Very high | 84 | Confident | 126 Ų | 126 | 57.1 Ų | 57.1 | 55% | 0.553 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -57.7 | -56.1 | -177.4 | 174.2 | -104.6 | 0 | 0 | 0 | 113 | L264 T268 V269 L270 M369 | L264-F266 VanDerWaalsContact C-N 3.32Å; L264-F266 PolarHBondContact O-N 3.28Å; F266-T268 VanDerWaalsContact C-N 3.34Å; F266-T268 PolarHBondContact O-N 2.92Å; F266-V269 PolarHBondContact O-N 3.33Å; F266-L270 HydrophobicContact CE1-CD2 4.09Å; F266-L270 HydrophobicContact CZ-CD2 3.92Å; F266-L270 WeakPolarHBondContact O-CB 3.32Å; F266-L270 PolarHBondContact O-N 3.34Å; F266-M369 HydrophobicContact CD1-CE 4.48Å; F266-M369 HydrophobicContact CE1-CE 3.69Å; F266-M369 HydrophobicContact CE1-SD 4.27Å |
| 267 | P | 94.5 | Very high | 85.9 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.3 | -36.4 | 179.1 | 23.4 | -33.2 | 0 | 0 | 0 | 113.1 | S263 L264 H271 L338 L341 M369 | S263-P267 WeakPolarHBondContact O-CD 3.39Å; L264-P267 WeakPolarHBondContact O-CD 3.44Å; L264-P267 VanDerWaalsContact O-CG 3.24Å; L264-P267 WeakPolarHBondContact O-CG 3.42Å; P267-H271 WeakPolarHBondContact O-CB 3.32Å; P267-H271 PolarHBondContact O-N 2.93Å; P267-L338 HydrophobicContact CB-CD1 3.94Å; P267-L338 HydrophobicContact CG-CD1 4.47Å; P267-L341 HydrophobicContact CB-CD1 4.1Å; P267-L341 HydrophobicContact CG-CD1 4.04Å; P267-M369 HydrophobicContact CB-SD 3.98Å |
| 268 | T | 94 | Very high | 87.4 | Confident | 12 Ų | 12 | 46 Ų | 46 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.6 | -49.7 | 177.9 | -48.9 | 0 | 0 | 0 | 0 | 111.7 | M214 L264 I265 F266 H271 G272 H342 | M214-T268 HydrophobicContact CB-CG2 4.15Å; M214-T268 HydrophobicContact CG-CG2 4.06Å; L264-T268 WeakPolarHBondContact O-CB 3.16Å; L264-T268 PolarHBondContact O-N 2.95Å; L264-T268 VanDerWaalsContact O-N 3.09Å; L264-T268 PolarHBondContact O-OG1 3.36Å; I265-T268 PolarHBondContact O-N 3.43Å; F266-T268 VanDerWaalsContact C-N 3.34Å; F266-T268 PolarHBondContact O-N 2.92Å; T268-H271 PolarHBondContact O-N 2.81Å; T268-G272 PolarHBondContact O-N 3.05Å; T268-H342 PolarHBondContact OG1-CE1 3.08Å; T268-H342 PolarHBondContact OG1-NE2 3.35Å |
| 269 | V | 95.2 | Very high | 88.6 | Confident | 26 Ų | 26 | 44.5 Ų | 44.5 | 16% | 0.158 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.7 | -40 | 179.9 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | C207 V211 I265 F266 G272 A273 | C207-V269 HydrophobicContact CB-CG1 3.88Å; V211-V269 HydrophobicContact CG2-CG2 3.61Å; I265-V269 HydrophobicContact CG2-CG2 4.03Å; I265-V269 WeakPolarHBondContact O-CB 3.39Å; I265-V269 VanDerWaalsContact O-CG2 3.29Å; I265-V269 WeakPolarHBondContact O-CG2 3.26Å; I265-V269 PolarHBondContact O-N 3.37Å; F266-V269 PolarHBondContact O-N 3.33Å; V269-G272 PolarHBondContact O-N 2.97Å; V269-A273 WeakPolarHBondContact O-CB 3.39Å; V269-A273 PolarHBondContact O-N 3.18Å |
| 270 | L | 95.1 | Very high | 89.8 | Confident | 52 Ų | 52 | 44.4 Ų | 44.4 | 27% | 0.272 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.7 | -49.9 | 176.1 | 179.1 | 64 | 0 | 0 | 0 | 111.1 | F266 L274 L334 M369 | F266-L270 HydrophobicContact CE1-CD2 4.09Å; F266-L270 HydrophobicContact CZ-CD2 3.92Å; F266-L270 WeakPolarHBondContact O-CB 3.32Å; F266-L270 PolarHBondContact O-N 3.34Å; L270-L274 HydrophobicContact CD1-CD1 3.73Å; L270-L274 HydrophobicContact CD1-CG 4.09Å; L270-L274 HydrophobicContact CG-CD1 3.92Å; L270-L274 VanDerWaalsContact O-CB 3.28Å; L270-L274 WeakPolarHBondContact O-CB 3.4Å; L270-L274 WeakPolarHBondContact O-CG 3.42Å; L270-L274 PolarHBondContact O-N 3.37Å; L270-L334 HydrophobicContact CD2-CD1 4.44Å; L270-L334 HydrophobicContact CG-CD2 4.3Å; L270-M369 HydrophobicContact CD2-CE 4.25Å; L270-M369 HydrophobicContact CD2-SD 4.32Å |
| 271 | H | 95.1 | Very high | 90.6 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 12% | 0.12 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -51 | 177.1 | 175.8 | -87.9 | 0 | 0 | 0 | 111.7 | P267 T268 A273 L274 H275 L334 L338 | P267-H271 WeakPolarHBondContact O-CB 3.32Å; P267-H271 PolarHBondContact O-N 2.93Å; T268-H271 PolarHBondContact O-N 2.81Å; H271-A273 PolarHBondContact O-N 2.87Å; H271-L274 PolarHBondContact O-N 2.89Å; H271-H275 VanDerWaalsContact O-CB 3.26Å; H271-H275 WeakPolarHBondContact O-CB 3.46Å; H271-H275 PolarHBondContact O-N 3.49Å; H271-L334 HydrophobicContact CB-CD2 3.95Å; H271-L334 HydrophobicContact CB-CG 4.21Å; H271-L338 HydrophobicContact CB-CD2 3.91Å |
| 272 | G | 92.2 | Very high | 91.4 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -45.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y210 T268 V269 H275 Y276 | Y210-G272 PolarHBondContact OH-O 2.92Å; T268-G272 PolarHBondContact O-N 3.05Å; V269-G272 PolarHBondContact O-N 2.97Å; G272-H275 PolarHBondContact O-N 3.31Å; G272-Y276 WeakPolarHBondContact O-CB 3.21Å; G272-Y276 PolarHBondContact O-N 2.94Å |
| 273 | A | 92.1 | Very high | 92 | Very high | 13 Ų | 13 | 38 Ų | 38 | 11% | 0.107 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -45.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L203 V269 H271 H275 Y276 I277 | L203-A273 HydrophobicContact CD1-CB 4.25Å; V269-A273 WeakPolarHBondContact O-CB 3.39Å; V269-A273 PolarHBondContact O-N 3.18Å; H271-A273 PolarHBondContact O-N 2.87Å; A273-H275 VanDerWaalsContact C-N 3.32Å; A273-H275 PolarHBondContact O-N 2.63Å; A273-Y276 PolarHBondContact O-N 2.83Å; A273-I277 WeakPolarHBondContact O-CB 3.41Å; A273-I277 WeakPolarHBondContact O-CD1 3.41Å; A273-I277 WeakPolarHBondContact O-CG1 3.39Å; A273-I277 PolarHBondContact O-N 3.26Å |
| 274 | L | 93.9 | Very high | 92.3 | Very high | 62 Ų | 62 | 40.6 Ų | 40.6 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 176.5 | -73.7 | 174.3 | 0 | 0 | 0 | 111.4 | L270 H271 I277 I278 L331 L334 | L270-L274 HydrophobicContact CD1-CD1 3.73Å; L270-L274 HydrophobicContact CD1-CG 4.09Å; L270-L274 HydrophobicContact CG-CD1 3.92Å; L270-L274 VanDerWaalsContact O-CB 3.28Å; L270-L274 WeakPolarHBondContact O-CB 3.4Å; L270-L274 WeakPolarHBondContact O-CG 3.42Å; L270-L274 PolarHBondContact O-N 3.37Å; H271-L274 PolarHBondContact O-N 2.89Å; L274-I277 PolarHBondContact O-N 3.37Å; L274-I278 WeakPolarHBondContact O-CB 3.47Å; L274-I278 WeakPolarHBondContact O-CD1 3.49Å; L274-I278 WeakPolarHBondContact O-CG1 3.5Å; L274-I278 PolarHBondContact O-N 3.42Å; L274-L331 HydrophobicContact CB-CD1 3.98Å; L274-L331 HydrophobicContact CB-CD2 3.87Å; L274-L331 HydrophobicContact CD1-CD2 4.07Å; L274-L334 HydrophobicContact CD1-CD2 3.85Å |
| 275 | H | 93.6 | Very high | 92.5 | Very high | 45 Ų | 45 | 44.7 Ų | 44.7 | 21% | 0.208 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.1 | -53.2 | 178.7 | -169.1 | -76.5 | 0 | 0 | 0 | 110.1 | H271 G272 A273 I277 I278 S279 S327 D328 L331 | H271-H275 VanDerWaalsContact O-CB 3.26Å; H271-H275 WeakPolarHBondContact O-CB 3.46Å; H271-H275 PolarHBondContact O-N 3.49Å; G272-H275 PolarHBondContact O-N 3.31Å; A273-H275 VanDerWaalsContact C-N 3.32Å; A273-H275 PolarHBondContact O-N 2.63Å; H275-I277 PolarHBondContact O-N 3.36Å; H275-I278 PolarHBondContact O-N 2.77Å; H275-S279 WeakPolarHBondContact O-CB 3.36Å; H275-S279 PolarHBondContact O-N 2.82Å; H275-S279 PolarHBondContact O-OG 2.9Å; H275-S327 PolarHBondContact CE1-OG 3.04Å; H275-S327 VanDerWaalsContact CE1-OG 3.3Å; H275-S327 PolarHBondContact NE2-OG 3.34Å; H275-S327 VanDerWaalsContact NE2-OG 3.16Å; H275-D328 IonicContact CD2-OD1 2.66Å; H275-D328 IonicContact CE1-OD1 2.75Å; H275-D328 IonicContact NE2-OD1 2.92Å; H275-D328 PolarHBondContact NE2-OD1 2.9Å; H275-L331 HydrophobicContact CB-CD1 3.56Å; H275-L331 VanDerWaalsContact N-CD1 3.25Å |
| 276 | Y | 89.9 | Confident | 92.6 | Very high | 40 Ų | 40 | 43.6 Ų | 43.6 | 16% | 0.157 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.8 | -47.2 | 176.7 | 175.2 | -94.8 | 0 | 0 | 0 | 113.1 | D48 H202 L203 K206 G272 A273 S280 | D48-Y276 WeakPolarHBondContact OD2-CE2 3.28Å; H202-Y276 AromaticContact CD2-CE1 3.98Å; H202-Y276 AromaticContact CD2-CZ 3.63Å; H202-Y276 PolarHBondContact CD2-OH 3.21Å; H202-Y276 AromaticContact NE2-CE2 3.94Å; H202-Y276 AromaticContact NE2-CZ 3.45Å; H202-Y276 PolarHBondContact NE2-OH 3.19Å; L203-Y276 HydrophobicContact CD1-CD1 4.37Å; K206-Y276 HydrophobicContact CD-CD2 4.4Å; K206-Y276 HydrophobicContact CD-CE2 4.47Å; G272-Y276 WeakPolarHBondContact O-CB 3.21Å; G272-Y276 PolarHBondContact O-N 2.94Å; A273-Y276 PolarHBondContact O-N 2.83Å; Y276-S280 WeakPolarHBondContact O-CB 3.29Å; Y276-S280 PolarHBondContact O-N 2.76Å; Y276-S280 PolarHBondContact O-OG 2.85Å |
| 277 | I | 90.8 | Very high | 92.4 | Very high | 64 Ų | 64 | 39 Ų | 39 | 33% | 0.328 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.7 | -49 | -179.2 | -70 | 165.3 | 0 | 0 | 0 | 110.4 | L203 A273 L274 H275 S280 I281 | L203-I277 HydrophobicContact CD1-CD1 4.06Å; L203-I277 HydrophobicContact CD1-CG1 4.13Å; L203-I277 HydrophobicContact CD2-CD1 4.13Å; A273-I277 WeakPolarHBondContact O-CB 3.41Å; A273-I277 WeakPolarHBondContact O-CD1 3.41Å; A273-I277 WeakPolarHBondContact O-CG1 3.39Å; A273-I277 PolarHBondContact O-N 3.26Å; L274-I277 PolarHBondContact O-N 3.37Å; H275-I277 PolarHBondContact O-N 3.36Å; I277-S280 PolarHBondContact O-N 2.81Å; I277-I281 HydrophobicContact CG2-CD1 3.72Å; I277-I281 VanDerWaalsContact O-CG1 3.25Å; I277-I281 WeakPolarHBondContact O-CG1 3.37Å; I277-I281 PolarHBondContact O-N 3.27Å |
| 278 | I | 91.6 | Very high | 92.2 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 17% | 0.169 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.2 | -49.6 | -178.3 | -68.6 | 168 | 0 | 0 | 0 | 110 | L274 H275 S280 I281 I282 I330 L331 | L274-I278 WeakPolarHBondContact O-CB 3.47Å; L274-I278 WeakPolarHBondContact O-CD1 3.49Å; L274-I278 WeakPolarHBondContact O-CG1 3.5Å; L274-I278 PolarHBondContact O-N 3.42Å; H275-I278 PolarHBondContact O-N 2.77Å; I278-S280 VanDerWaalsContact C-N 3.33Å; I278-S280 PolarHBondContact O-N 2.95Å; I278-I281 PolarHBondContact O-N 2.89Å; I278-I282 HydrophobicContact CG2-CD1 3.6Å; I278-I282 HydrophobicContact CG2-CG1 4.35Å; I278-I282 WeakPolarHBondContact O-CB 3.4Å; I278-I282 VanDerWaalsContact O-CG1 3.27Å; I278-I282 WeakPolarHBondContact O-CG1 3.28Å; I278-I282 PolarHBondContact O-N 3.06Å; I278-I330 HydrophobicContact CD1-CG2 3.93Å; I278-I330 HydrophobicContact CG2-CD1 4.02Å; I278-L331 HydrophobicContact CD1-CD1 4.11Å; I278-L331 HydrophobicContact CD1-CD2 4.02Å; I278-L331 HydrophobicContact CD1-CG 4.02Å |
| 279 | S | 90.9 | Very high | 92 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 13% | 0.126 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 177.8 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | H275 I281 I282 Q283 A323 S327 | H275-S279 WeakPolarHBondContact O-CB 3.36Å; H275-S279 PolarHBondContact O-N 2.82Å; H275-S279 PolarHBondContact O-OG 2.9Å; S279-I281 PolarHBondContact O-N 3.35Å; S279-I282 PolarHBondContact O-N 3.46Å; S279-Q283 WeakPolarHBondContact O-CB 3.35Å; S279-Q283 PolarHBondContact O-N 3.06Å; S279-A323 WeakPolarHBondContact O-CB 3.37Å; S279-S327 WeakPolarHBondContact OG-CB 3.37Å; S279-S327 PolarHBondContact OG-OG 3.13Å |
| 280 | S | 88.3 | Confident | 91.7 | Very high | 22 Ų | 22 | 48 Ų | 48 | 15% | 0.154 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 178.7 | -67.1 | 0 | 0 | 0 | 0 | 113 | Y276 I277 I278 K284 | Y276-S280 WeakPolarHBondContact O-CB 3.29Å; Y276-S280 PolarHBondContact O-N 2.76Å; Y276-S280 PolarHBondContact O-OG 2.85Å; I277-S280 PolarHBondContact O-N 2.81Å; I278-S280 VanDerWaalsContact C-N 3.33Å; I278-S280 PolarHBondContact O-N 2.95Å; S280-K284 WeakPolarHBondContact O-CB 3.3Å; S280-K284 VanDerWaalsContact O-CG 3.28Å; S280-K284 WeakPolarHBondContact O-CG 3.26Å; S280-K284 PolarHBondContact O-N 3.42Å; S280-K284 VanDerWaalsContact O-N 3.16Å |
| 281 | I | 91.2 | Very high | 91.2 | Very high | 89 Ų | 89 | 52.2 Ų | 52.2 | 46% | 0.456 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.9 | -49 | 177.1 | -70.4 | 167.3 | 0 | 0 | 0 | 110 | I277 I278 S279 K284 I285 | I277-I281 HydrophobicContact CG2-CD1 3.72Å; I277-I281 VanDerWaalsContact O-CG1 3.25Å; I277-I281 WeakPolarHBondContact O-CG1 3.37Å; I277-I281 PolarHBondContact O-N 3.27Å; I278-I281 PolarHBondContact O-N 2.89Å; S279-I281 PolarHBondContact O-N 3.35Å; I281-K284 PolarHBondContact O-N 3.48Å; I281-I285 HydrophobicContact CG2-CD1 3.68Å; I281-I285 HydrophobicContact CG2-CG1 4.48Å; I281-I285 VanDerWaalsContact O-CG1 3.29Å; I281-I285 WeakPolarHBondContact O-CG1 3.49Å; I281-I285 PolarHBondContact O-N 3.31Å |
| 282 | I | 93 | Very high | 90.8 | Very high | 30 Ų | 30 | 59.6 Ų | 59.6 | 15% | 0.154 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.9 | -44.1 | -177.2 | -64.9 | 177.1 | 0 | 0 | 0 | 110.7 | I278 S279 K284 I285 V286 A323 C326 I330 | I278-I282 HydrophobicContact CG2-CD1 3.6Å; I278-I282 HydrophobicContact CG2-CG1 4.35Å; I278-I282 WeakPolarHBondContact O-CB 3.4Å; I278-I282 VanDerWaalsContact O-CG1 3.27Å; I278-I282 WeakPolarHBondContact O-CG1 3.28Å; I278-I282 PolarHBondContact O-N 3.06Å; S279-I282 PolarHBondContact O-N 3.46Å; I282-K284 VanDerWaalsContact C-N 3.33Å; I282-K284 PolarHBondContact O-N 3.04Å; I282-I285 PolarHBondContact O-N 3.31Å; I282-V286 HydrophobicContact CG2-CG2 4.07Å; I282-V286 WeakPolarHBondContact O-CB 3.46Å; I282-V286 VanDerWaalsContact O-CG2 3.29Å; I282-V286 WeakPolarHBondContact O-CG2 3.38Å; I282-V286 PolarHBondContact O-N 2.75Å; I282-A323 HydrophobicContact CB-CB 4.32Å; I282-A323 HydrophobicContact CG2-CB 4.26Å; I282-C326 HydrophobicContact CD1-CB 3.27Å; I282-C326 HydrophobicContact CG2-CB 4.35Å; I282-I330 HydrophobicContact CD1-CD1 4.41Å |
| 283 | Q | 91.8 | Very high | 90.3 | Very high | 22 Ų | 22 | 65.7 Ų | 65.7 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57 | -47.5 | 176.7 | -170 | -164.9 | 0.8 | 0 | 0 | 110.7 | S279 I285 V286 L287 A319 N320 A323 | S279-Q283 WeakPolarHBondContact O-CB 3.35Å; S279-Q283 PolarHBondContact O-N 3.06Å; Q283-I285 PolarHBondContact O-N 2.79Å; Q283-V286 PolarHBondContact O-N 2.7Å; Q283-L287 HydrophobicContact CG-CD1 4.12Å; Q283-L287 VanDerWaalsContact O-CB 3.25Å; Q283-L287 WeakPolarHBondContact O-CB 3.1Å; Q283-L287 VanDerWaalsContact O-CG 3.28Å; Q283-L287 WeakPolarHBondContact O-CG 3.3Å; Q283-L287 PolarHBondContact O-N 3.35Å; Q283-A319 HydrophobicContact CG-CB 4.1Å; Q283-N320 WeakPolarHBondContact CG-OD1 3.13Å; Q283-N320 PolarHBondContact NE2-OD1 3.39Å; Q283-A323 HydrophobicContact CB-CB 3.76Å |
| 284 | K | 90.3 | Very high | 89.6 | Confident | 104 Ų | 104 | 67.3 Ų | 67.3 | 45% | 0.452 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 177.4 | -75.4 | 176.8 | -177.8 | 178 | 0 | 112.2 | S280 I281 I282 L288 | S280-K284 WeakPolarHBondContact O-CB 3.3Å; S280-K284 VanDerWaalsContact O-CG 3.28Å; S280-K284 WeakPolarHBondContact O-CG 3.26Å; S280-K284 PolarHBondContact O-N 3.42Å; S280-K284 VanDerWaalsContact O-N 3.16Å; I281-K284 PolarHBondContact O-N 3.48Å; I282-K284 VanDerWaalsContact C-N 3.33Å; I282-K284 PolarHBondContact O-N 3.04Å; K284-L288 VanDerWaalsContact O-CB 3.28Å; K284-L288 WeakPolarHBondContact O-CB 3.37Å; K284-L288 PolarHBondContact O-N 2.91Å |
| 285 | I | 93.2 | Very high | 88.5 | Confident | 93 Ų | 93 | 68.4 Ų | 68.4 | 48% | 0.477 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -48.6 | 177.7 | -70.1 | 168.7 | 0 | 0 | 0 | 110.5 | I281 I282 Q283 L288 I289 | I281-I285 HydrophobicContact CG2-CD1 3.68Å; I281-I285 HydrophobicContact CG2-CG1 4.48Å; I281-I285 VanDerWaalsContact O-CG1 3.29Å; I281-I285 WeakPolarHBondContact O-CG1 3.49Å; I281-I285 PolarHBondContact O-N 3.31Å; I282-I285 PolarHBondContact O-N 3.31Å; Q283-I285 PolarHBondContact O-N 2.79Å; I285-L288 PolarHBondContact O-N 3.26Å; I285-I289 HydrophobicContact CG2-CD1 3.79Å; I285-I289 VanDerWaalsContact O-CG1 3.3Å; I285-I289 WeakPolarHBondContact O-CG1 3.36Å; I285-I289 PolarHBondContact O-N 3.02Å |
| 286 | V | 93.4 | Very high | 87.5 | Confident | 29 Ų | 29 | 71.7 Ų | 71.7 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66 | -44.5 | -178.9 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | I282 Q283 L288 I289 L290 A319 A322 | I282-V286 HydrophobicContact CG2-CG2 4.07Å; I282-V286 WeakPolarHBondContact O-CB 3.46Å; I282-V286 VanDerWaalsContact O-CG2 3.29Å; I282-V286 WeakPolarHBondContact O-CG2 3.38Å; I282-V286 PolarHBondContact O-N 2.75Å; Q283-V286 PolarHBondContact O-N 2.7Å; V286-L288 VanDerWaalsContact C-N 3.31Å; V286-L288 PolarHBondContact O-N 3.42Å; V286-I289 PolarHBondContact O-N 2.97Å; V286-L290 HydrophobicContact CG1-CD1 3.76Å; V286-L290 HydrophobicContact CG1-CG 4.18Å; V286-L290 WeakPolarHBondContact O-CB 3.31Å; V286-L290 VanDerWaalsContact O-CG 3.29Å; V286-L290 WeakPolarHBondContact O-CG 3.32Å; V286-L290 PolarHBondContact O-N 3.37Å; V286-A319 HydrophobicContact CB-CB 4Å; V286-A319 HydrophobicContact CG1-CB 3.82Å; V286-A322 HydrophobicContact CG1-CB 4.37Å; V286-A322 HydrophobicContact CG2-CB 4.01Å |
| 287 | L | 89.8 | Confident | 86.3 | Confident | 30 Ų | 30 | 73.7 Ų | 73.7 | 16% | 0.157 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56.8 | -43.8 | 173.5 | -81.1 | 175.5 | 0 | 0 | 0 | 112 | Q283 L290 K291 E316 A319 | Q283-L287 HydrophobicContact CG-CD1 4.12Å; Q283-L287 VanDerWaalsContact O-CB 3.25Å; Q283-L287 WeakPolarHBondContact O-CB 3.1Å; Q283-L287 VanDerWaalsContact O-CG 3.28Å; Q283-L287 WeakPolarHBondContact O-CG 3.3Å; Q283-L287 PolarHBondContact O-N 3.35Å; L287-L290 PolarHBondContact O-N 3Å; L287-K291 WeakPolarHBondContact O-CB 3.33Å; L287-K291 VanDerWaalsContact O-CG 3.32Å; L287-K291 WeakPolarHBondContact O-CG 3.43Å; L287-K291 PolarHBondContact O-N 3.28Å; L287-E316 HydrophobicContact CD2-CB 4.33Å; L287-A319 HydrophobicContact CB-CB 4.41Å; L287-A319 HydrophobicContact CD1-CB 4.47Å; L287-A319 HydrophobicContact CD2-CB 3.71Å; L287-A319 HydrophobicContact CG-CB 3.49Å; L287-A319 VanDerWaalsContact CG-CB 3.49Å |
| 288 | L | 90.2 | Very high | 85 | Confident | 112 Ų | 112 | 74.4 Ų | 74.4 | 59% | 0.586 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.4 | -44.1 | 178.3 | -175.5 | 151.7 | 0 | 0 | 0 | 111.3 | K284 I285 V286 R292 | K284-L288 VanDerWaalsContact O-CB 3.28Å; K284-L288 WeakPolarHBondContact O-CB 3.37Å; K284-L288 PolarHBondContact O-N 2.91Å; I285-L288 PolarHBondContact O-N 3.26Å; V286-L288 VanDerWaalsContact C-N 3.31Å; V286-L288 PolarHBondContact O-N 3.42Å; L288-R292 VanDerWaalsContact O-CB 3.29Å; L288-R292 WeakPolarHBondContact O-CB 3.5Å; L288-R292 PolarHBondContact O-N 2.81Å |
| 289 | I | 91.6 | Very high | 83.6 | Confident | 80 Ų | 80 | 80.7 Ų | 80.7 | 41% | 0.41 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 177.6 | -68.3 | 166.5 | 0 | 0 | 0 | 110.8 | I285 V286 K293 | I285-I289 HydrophobicContact CG2-CD1 3.79Å; I285-I289 VanDerWaalsContact O-CG1 3.3Å; I285-I289 WeakPolarHBondContact O-CG1 3.36Å; I285-I289 PolarHBondContact O-N 3.02Å; V286-I289 PolarHBondContact O-N 2.97Å; I289-K293 HydrophobicContact CG2-CD 4.43Å; I289-K293 WeakPolarHBondContact O-CG 3.46Å; I289-K293 PolarHBondContact O-N 3.17Å; I289-K293 VanDerWaalsContact O-N 3.09Å |
| 290 | L | 87.9 | Confident | 82 | Confident | 37 Ų | 37 | 83.8 Ų | 83.8 | 19% | 0.194 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -67.8 | -46.4 | -179 | -67.9 | 175.2 | 0 | 0 | 0 | 111.6 | V286 L287 R292 K293 T294 P315 I318 | V286-L290 HydrophobicContact CG1-CD1 3.76Å; V286-L290 HydrophobicContact CG1-CG 4.18Å; V286-L290 WeakPolarHBondContact O-CB 3.31Å; V286-L290 VanDerWaalsContact O-CG 3.29Å; V286-L290 WeakPolarHBondContact O-CG 3.32Å; V286-L290 PolarHBondContact O-N 3.37Å; L287-L290 PolarHBondContact O-N 3Å; L290-R292 VanDerWaalsContact C-N 3.32Å; L290-R292 PolarHBondContact O-N 3.44Å; L290-K293 WeakPolarHBondContact O-CB 3.39Å; L290-K293 PolarHBondContact O-N 3.03Å; L290-K293 VanDerWaalsContact O-N 3.14Å; L290-T294 PolarHBondContact O-N 3.05Å; L290-T294 PolarHBondContact O-OG1 3.16Å; L290-T294 VanDerWaalsContact O-OG1 3.12Å; L290-P315 HydrophobicContact CB-CB 4.06Å; L290-P315 HydrophobicContact CD1-CB 4Å; L290-P315 WeakPolarHBondContact CD1-O 3.38Å; L290-I318 HydrophobicContact CD1-CB 4.01Å; L290-I318 HydrophobicContact CD1-CG2 3.85Å |
| 291 | K | 85.3 | Confident | 80.6 | Confident | 141 Ų | 141 | 90.1 Ų | 90.1 | 61% | 0.613 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61 | -39.6 | 176.5 | -74.5 | -175.2 | 177.2 | -171.4 | 0 | 112.3 | L287 K293 T294 C295 | L287-K291 WeakPolarHBondContact O-CB 3.33Å; L287-K291 VanDerWaalsContact O-CG 3.32Å; L287-K291 WeakPolarHBondContact O-CG 3.43Å; L287-K291 PolarHBondContact O-N 3.28Å; K291-K293 VanDerWaalsContact C-N 3.34Å; K291-T294 PolarHBondContact O-N 3.42Å; K291-C295 WeakPolarHBondContact O-CB 3.39Å; K291-C295 PolarHBondContact O-N 3.28Å |
| 292 | R | 85.3 | Confident | 78.8 | Confident | 180 Ų | 180 | 92.1 Ų | 92.1 | 68% | 0.679 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.7 | -39.6 | 175.7 | -172.3 | 173.8 | -177.5 | 173.8 | 0.3 | 111.9 | L288 L290 N296 | L288-R292 VanDerWaalsContact O-CB 3.29Å; L288-R292 WeakPolarHBondContact O-CB 3.5Å; L288-R292 PolarHBondContact O-N 2.81Å; L290-R292 VanDerWaalsContact C-N 3.32Å; L290-R292 PolarHBondContact O-N 3.44Å; R292-N296 PolarHBondContact O-N 3.25Å |
| 293 | K | 82.8 | Confident | 77 | Confident | 135 Ų | 135 | 93.3 Ų | 93.3 | 59% | 0.587 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.2 | -48.1 | 174.8 | -74.3 | 178.9 | 178.5 | -174.6 | 0 | 111.6 | I289 L290 K291 C295 N296 S297 | I289-K293 HydrophobicContact CG2-CD 4.43Å; I289-K293 WeakPolarHBondContact O-CG 3.46Å; I289-K293 PolarHBondContact O-N 3.17Å; I289-K293 VanDerWaalsContact O-N 3.09Å; L290-K293 WeakPolarHBondContact O-CB 3.39Å; L290-K293 PolarHBondContact O-N 3.03Å; L290-K293 VanDerWaalsContact O-N 3.14Å; K291-K293 VanDerWaalsContact C-N 3.34Å; K293-C295 PolarHBondContact O-N 3.45Å; K293-N296 PolarHBondContact O-N 2.9Å; K293-S297 PolarHBondContact O-N 3.28Å; K293-S297 VanDerWaalsContact O-N 3.14Å; K293-S297 PolarHBondContact O-OG 2.96Å |
| 294 | T | 76.4 | Confident | 75.5 | Confident | 47 Ų | 47 | 94.7 Ų | 94.7 | 29% | 0.288 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 179.3 | -53.9 | 0 | 0 | 0 | 0 | 112.2 | L290 K291 N296 S297 H298 | L290-T294 PolarHBondContact O-N 3.05Å; L290-T294 PolarHBondContact O-OG1 3.16Å; L290-T294 VanDerWaalsContact O-OG1 3.12Å; K291-T294 PolarHBondContact O-N 3.42Å; T294-N296 VanDerWaalsContact C-N 3.34Å; T294-N296 PolarHBondContact O-N 2.69Å; T294-S297 PolarHBondContact O-N 2.93Å; T294-H298 PolarHBondContact O-N 2.64Å |
| 295 | C | 71.3 | Confident | 73.8 | Confident | 86 Ų | 86 | 94.3 Ų | 94.3 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.8 | -40.2 | 177.9 | -172.2 | 0 | 0 | 0 | 0 | 112.6 | K291 K293 S297 L299 | K291-C295 WeakPolarHBondContact O-CB 3.39Å; K291-C295 PolarHBondContact O-N 3.28Å; K293-C295 PolarHBondContact O-N 3.45Å; C295-S297 VanDerWaalsContact C-N 3.32Å; C295-L299 PolarHBondContact O-N 3.42Å |
| 296 | N | 71.8 | Confident | 72 | Confident | 113 Ų | 113 | 91.7 Ų | 91.7 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.1 | -34.4 | 176.4 | -72.8 | -7.5 | 0 | 0 | 0 | 112 | R292 K293 T294 | R292-N296 PolarHBondContact O-N 3.25Å; K293-N296 PolarHBondContact O-N 2.9Å; T294-N296 VanDerWaalsContact C-N 3.34Å; T294-N296 PolarHBondContact O-N 2.69Å |
| 297 | S | 66.3 | Low | 70.6 | Confident | 82 Ų | 82 | 93.5 Ų | 93.5 | 57% | 0.573 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -74.1 | -38.4 | 177.1 | -63.2 | 0 | 0 | 0 | 0 | 113 | K293 T294 C295 L299 A300 | K293-S297 PolarHBondContact O-N 3.28Å; K293-S297 VanDerWaalsContact O-N 3.14Å; K293-S297 PolarHBondContact O-OG 2.96Å; T294-S297 PolarHBondContact O-N 2.93Å; C295-S297 VanDerWaalsContact C-N 3.32Å; S297-L299 VanDerWaalsContact C-N 3.25Å; S297-L299 PolarHBondContact O-N 3.42Å; S297-A300 WeakPolarHBondContact O-CB 3.28Å; S297-A300 PolarHBondContact O-N 2.83Å |
| 298 | H | 63.4 | Low | 69.2 | Low | 80 Ų | 80 | 95 Ų | 95 | 37% | 0.37 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.3 | -17.3 | -178.4 | -126.2 | -79 | 0 | 0 | 0 | 113.9 | T294 A300 T303 | T294-H298 PolarHBondContact O-N 2.64Å; H298-A300 PolarHBondContact O-N 2.97Å; H298-T303 PolarHBondContact CE1-OG1 3.38Å; H298-T303 PolarHBondContact NE2-OG1 2.85Å |
| 299 | L | 61.3 | Low | 67.9 | Low | 165 Ų | 165 | 91.9 Ų | 91.9 | 86% | 0.864 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -11.1 | 170.7 | -153.1 | 76.7 | 0 | 0 | 0 | 112.1 | C295 S297 | C295-L299 PolarHBondContact O-N 3.42Å; S297-L299 VanDerWaalsContact C-N 3.25Å; S297-L299 PolarHBondContact O-N 3.42Å |
| 300 | A | 57.4 | Low | 66.7 | Low | 83 Ų | 83 | 88.4 Ų | 88.4 | 69% | 0.686 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -18.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S297 H298 | S297-A300 WeakPolarHBondContact O-CB 3.28Å; S297-A300 PolarHBondContact O-N 2.83Å; H298-A300 PolarHBondContact O-N 2.97Å |
| 301 | E | 58 | Low | 65.8 | Low | 155 Ų | 155 | 89.4 Ų | 89.4 | 72% | 0.724 | 49% | 0.491 | S | S | * | . | trans | -144.4 | 142.7 | -176.9 | -77.2 | -178.9 | 161.2 | 0 | 0 | 113.7 | T303 | E301-T303 PolarHBondContact O-N 3.49Š| ||
| 302 | S | 53.6 | Low | 65.1 | Low | 130 Ų | 130 | 85.4 Ų | 85.4 | 91% | 0.909 | 48% | 0.484 | S | S | * | . | trans | -81.8 | 87.5 | 174.8 | 56 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 303 | T | 56.2 | Low | 64.6 | Low | 55 Ų | 55 | 78.5 Ų | 78.5 | 34% | 0.337 | 46% | 0.458 | S | S | . | . | trans | -79 | 145.8 | -176.5 | -20.9 | 0 | 0 | 0 | 0 | 113.2 | H298 E301 Q307 | H298-T303 PolarHBondContact CE1-OG1 3.38Å; H298-T303 PolarHBondContact NE2-OG1 2.85Å; E301-T303 PolarHBondContact O-N 3.49Å; T303-Q307 HydrophobicContact CG2-CB 3.75Å; T303-Q307 HydrophobicContact CG2-CG 3.69Å | ||
| 304 | S | 59.4 | Low | 64.5 | Low | 51 Ų | 51 | 72.7 Ų | 72.7 | 36% | 0.357 | 43% | 0.433 | S | S | . | . | trans | -68.1 | 151.1 | 177.2 | 68.5 | 0 | 0 | 0 | 0 | 112.6 | M306 Q307 S308 | S304-M306 VanDerWaalsContact C-N 3.28Å; S304-M306 PolarHBondContact O-N 3.2Å; S304-Q307 PolarHBondContact O-N 3.39Å; S304-S308 PolarHBondContact O-N 3.47Å | ||
| 305 | P | 56.1 | Low | 65 | Low | 97 Ų | 97 | 71.2 Ų | 71.2 | 63% | 0.63 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -25.6 | -174.2 | 23 | -33.2 | 0 | 0 | 0 | 114.3 | ||
| 306 | M | 53.9 | Low | 65.6 | Low | 37 Ų | 37 | 69 Ų | 69 | 18% | 0.182 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -34.5 | 175.8 | -70.3 | -166 | 84 | 0 | 0 | 113 | L97 N98 S304 S308 M309 L414 | L97-M306 HydrophobicContact CD2-CE 4.25Å; N98-M306 WeakPolarHBondContact OD1-CE 3.44Å; S304-M306 VanDerWaalsContact C-N 3.28Å; S304-M306 PolarHBondContact O-N 3.2Å; M306-S308 VanDerWaalsContact C-N 3.27Å; M306-S308 PolarHBondContact O-N 3.08Å; M306-M309 PolarHBondContact O-N 3.01Å; M306-L414 HydrophobicContact CB-CD2 4.11Å; M306-L414 HydrophobicContact CE-CD2 3.56Å; M306-L414 HydrophobicContact SD-CD2 4.15Å |
| 307 | Q | 63.8 | Low | 66.2 | Low | 68 Ų | 68 | 63.8 Ų | 63.8 | 32% | 0.318 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64 | -36.1 | 175 | -162.2 | 75.3 | 18.8 | 0 | 0 | 111.1 | T303 S304 M309 L310 D311 | T303-Q307 HydrophobicContact CG2-CB 3.75Å; T303-Q307 HydrophobicContact CG2-CG 3.69Å; S304-Q307 PolarHBondContact O-N 3.39Å; Q307-M309 PolarHBondContact O-N 2.96Å; Q307-L310 WeakPolarHBondContact O-CB 3.38Å; Q307-L310 PolarHBondContact O-N 2.88Å; Q307-D311 PolarHBondContact O-N 3.36Å; Q307-D311 VanDerWaalsContact O-N 3.15Å |
| 308 | S | 62.1 | Low | 67.2 | Low | 60 Ų | 60 | 63.3 Ų | 63.3 | 42% | 0.42 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.5 | -25 | 178.3 | -176.5 | 0 | 0 | 0 | 0 | 114.5 | S304 M306 A312 | S304-S308 PolarHBondContact O-N 3.47Å; M306-S308 VanDerWaalsContact C-N 3.27Å; M306-S308 PolarHBondContact O-N 3.08Å; S308-A312 PolarHBondContact O-N 3.29Å |
| 309 | M | 61.3 | Low | 68.5 | Low | 47 Ų | 47 | 59.5 Ų | 59.5 | 23% | 0.232 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -83.2 | -41 | 178.6 | -79.3 | -86.6 | -84.3 | 0 | 0 | 111.8 | W57 N98 M306 Q307 D311 A312 Y313 | W57-M309 HydrophobicContact CH2-CE 4.02Å; W57-M309 HydrophobicContact CZ2-CE 4.22Å; N98-M309 HydrophobicContact CB-CE 4.01Å; M306-M309 PolarHBondContact O-N 3.01Å; Q307-M309 PolarHBondContact O-N 2.96Å; M309-D311 PolarHBondContact O-N 3.26Å; M309-A312 WeakPolarHBondContact O-CB 3.45Å; M309-A312 PolarHBondContact O-N 2.92Å; M309-Y313 HydrophobicContact CB-CE2 4.48Å; M309-Y313 HydrophobicContact CE-CE2 4.01Å; M309-Y313 WeakPolarHBondContact O-CD2 3.5Å; M309-Y313 PolarHBondContact O-N 2.74Å; M309-Y313 HydrophobicContact SD-CE2 4.21Å |
| 310 | L | 66.9 | Low | 69.8 | Low | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -51.7 | -46.9 | 168.8 | -174.8 | 92.7 | 0 | 0 | 0 | 110.6 | Q307 A312 Y313 F314 Y410 | Q307-L310 WeakPolarHBondContact O-CB 3.38Å; Q307-L310 PolarHBondContact O-N 2.88Å; L310-A312 PolarHBondContact O-N 3.29Å; L310-Y313 PolarHBondContact O-N 3.22Å; L310-F314 HydrophobicContact CD1-CD2 3.46Å; L310-F314 VanDerWaalsContact CD1-CD2 3.46Å; L310-F314 HydrophobicContact CD1-CE2 3.21Å; L310-F314 HydrophobicContact CD1-CZ 4.27Å; L310-F314 HydrophobicContact CD2-CD2 4.48Å; L310-F314 HydrophobicContact CG-CD2 3.52Å; L310-F314 HydrophobicContact CG-CE2 3.84Å; L310-F314 HydrophobicContact CG-CG 4.48Å; L310-F314 WeakPolarHBondContact O-CB 2.97Å; L310-F314 WeakPolarHBondContact O-CD2 3.3Å; L310-F314 PolarHBondContact O-N 2.88Å; L310-Y410 HydrophobicContact CB-CE1 4.25Å; L310-Y410 HydrophobicContact CD1-CD1 3.07Å; L310-Y410 HydrophobicContact CD1-CE1 3.31Å; L310-Y410 HydrophobicContact CD1-CG 4.26Å; L310-Y410 HydrophobicContact CG-CD1 4.46Å; L310-Y410 HydrophobicContact CG-CE1 4.43Å |
| 311 | D | 68.4 | Low | 71.4 | Confident | 58 Ų | 58 | 49.8 Ų | 49.8 | 31% | 0.31 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.6 | -11.7 | 179.9 | -70.7 | -25.2 | 0 | 0 | 0 | 113.3 | Q307 M309 P315 | Q307-D311 PolarHBondContact O-N 3.36Å; Q307-D311 VanDerWaalsContact O-N 3.15Å; M309-D311 PolarHBondContact O-N 3.26Å; D311-P315 WeakPolarHBondContact O-CD 3.25Å; D311-P315 WeakPolarHBondContact O-CG 3.28Å |
| 312 | A | 70.9 | Confident | 73 | Confident | 56 Ų | 56 | 43.4 Ų | 43.4 | 46% | 0.463 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -86.6 | -45.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S308 M309 L310 | S308-A312 PolarHBondContact O-N 3.29Å; M309-A312 WeakPolarHBondContact O-CB 3.45Å; M309-A312 PolarHBondContact O-N 2.92Å; L310-A312 PolarHBondContact O-N 3.29Å |
| 313 | Y | 74.8 | Confident | 74.9 | Confident | 35 Ų | 35 | 37.4 Ų | 37.4 | 14% | 0.137 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -79.3 | -41.8 | -174.5 | -66.7 | -72.5 | 0 | 0 | 0 | 113.7 | N54 W57 M309 L310 E316 L317 | N54-Y313 HydrophobicContact CB-CD1 4.31Å; N54-Y313 HydrophobicContact CB-CE1 4.43Å; W57-Y313 WeakPolarHBondContact CZ2-OH 3.47Å; M309-Y313 HydrophobicContact CB-CE2 4.48Å; M309-Y313 HydrophobicContact CE-CE2 4.01Å; M309-Y313 WeakPolarHBondContact O-CD2 3.5Å; M309-Y313 PolarHBondContact O-N 2.74Å; M309-Y313 HydrophobicContact SD-CE2 4.21Å; L310-Y313 PolarHBondContact O-N 3.22Å; Y313-E316 PolarHBondContact O-N 2.88Å; Y313-L317 WeakPolarHBondContact O-CG 3.43Å; Y313-L317 PolarHBondContact O-N 2.88Å |
| 314 | F | 81.7 | Confident | 76.6 | Confident | 13 Ų | 13 | 35.2 Ų | 35.2 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | -175.4 | -90.1 | -87.5 | 0 | 0 | 0 | 113.6 | I105 L310 E316 L317 I318 K407 | I105-F314 HydrophobicContact CD1-CE2 4.21Å; L310-F314 HydrophobicContact CD1-CD2 3.46Å; L310-F314 VanDerWaalsContact CD1-CD2 3.46Å; L310-F314 HydrophobicContact CD1-CE2 3.21Å; L310-F314 HydrophobicContact CD1-CZ 4.27Å; L310-F314 HydrophobicContact CD2-CD2 4.48Å; L310-F314 HydrophobicContact CG-CD2 3.52Å; L310-F314 HydrophobicContact CG-CE2 3.84Å; L310-F314 HydrophobicContact CG-CG 4.48Å; L310-F314 WeakPolarHBondContact O-CB 2.97Å; L310-F314 WeakPolarHBondContact O-CD2 3.3Å; L310-F314 PolarHBondContact O-N 2.88Å; F314-E316 VanDerWaalsContact C-N 3.27Å; F314-E316 PolarHBondContact O-N 3.25Å; F314-L317 PolarHBondContact O-N 3.22Å; F314-I318 VanDerWaalsContact O-CG1 3.28Å; F314-I318 WeakPolarHBondContact O-CG1 3.28Å; F314-I318 PolarHBondContact O-N 3.19Å; F314-K407 HydrophobicContact CD1-CB 4.26Å; F314-K407 HydrophobicContact CD1-CD 4.27Å; F314-K407 HydrophobicContact CD1-CG 4.11Å; F314-K407 HydrophobicContact CE1-CB 3.41Å; F314-K407 VanDerWaalsContact CE1-CB 3.41Å; F314-K407 HydrophobicContact CE1-CD 4.24Å; F314-K407 HydrophobicContact CE1-CG 3.67Å; F314-K407 HydrophobicContact CZ-CB 3.67Å; F314-K407 HydrophobicContact CZ-CG 3.9Å |
| 315 | P | 85.4 | Confident | 78.2 | Confident | 17 Ų | 17 | 35.3 Ų | 35.3 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.8 | -35.5 | 175 | -28.8 | 38.8 | 0 | 0 | 0 | 113.7 | L290 D311 A319 | L290-P315 HydrophobicContact CB-CB 4.06Å; L290-P315 HydrophobicContact CD1-CB 4Å; L290-P315 WeakPolarHBondContact CD1-O 3.38Å; D311-P315 WeakPolarHBondContact O-CD 3.25Å; D311-P315 WeakPolarHBondContact O-CG 3.28Å; P315-A319 VanDerWaalsContact O-CB 3.25Å; P315-A319 WeakPolarHBondContact O-CB 3.15Å; P315-A319 PolarHBondContact O-N 3.34Å |
| 316 | E | 84.3 | Confident | 80.1 | Confident | 39 Ų | 39 | 33 Ų | 33 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.7 | -41.9 | 175.9 | -176.6 | 155.5 | -161.8 | 0 | 0 | 111.8 | R53 L287 Y313 F314 A319 N320 | R53-E316 WeakPolarHBondContact CB-OE1 3.29Å; R53-E316 WeakPolarHBondContact CD-OE1 3.37Å; R53-E316 IonicContact CZ-OE1 2.73Å; R53-E316 IonicContact NE-OE1 3.63Å; R53-E316 PolarHBondContact NE-OE1 3.01Å; L287-E316 HydrophobicContact CD2-CB 4.33Å; Y313-E316 PolarHBondContact O-N 2.88Å; F314-E316 VanDerWaalsContact C-N 3.27Å; F314-E316 PolarHBondContact O-N 3.25Å; E316-A319 PolarHBondContact O-N 2.93Å; E316-N320 VanDerWaalsContact O-CB 3.26Å; E316-N320 WeakPolarHBondContact O-CB 3.47Å; E316-N320 PolarHBondContact O-N 2.89Å; E316-N320 PolarHBondContact O-ND2 3.43Å |
| 317 | L | 84.4 | Confident | 82 | Confident | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 174.5 | -66.4 | 164.8 | 0 | 0 | 0 | 112.3 | I105 Y313 F314 A319 N320 F321 L403 | I105-L317 HydrophobicContact CG2-CD1 3.27Å; I105-L317 HydrophobicContact CG2-CD2 4.47Å; I105-L317 HydrophobicContact CG2-CG 4.47Å; Y313-L317 WeakPolarHBondContact O-CG 3.43Å; Y313-L317 PolarHBondContact O-N 2.88Å; F314-L317 PolarHBondContact O-N 3.22Å; L317-A319 VanDerWaalsContact C-N 3.35Å; L317-N320 PolarHBondContact O-N 3.39Å; L317-F321 VanDerWaalsContact O-CB 3.29Å; L317-F321 WeakPolarHBondContact O-CB 3.46Å; L317-F321 PolarHBondContact O-N 3.43Å; L317-L403 HydrophobicContact CB-CD2 4.42Å |
| 318 | I | 88.1 | Confident | 83.4 | Confident | 71 Ų | 71 | 28.9 Ų | 28.9 | 36% | 0.364 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 177.5 | -67.4 | 166.7 | 0 | 0 | 0 | 110.7 | L290 F314 F321 A322 | L290-I318 HydrophobicContact CD1-CB 4.01Å; L290-I318 HydrophobicContact CD1-CG2 3.85Å; F314-I318 VanDerWaalsContact O-CG1 3.28Å; F314-I318 WeakPolarHBondContact O-CG1 3.28Å; F314-I318 PolarHBondContact O-N 3.19Å; I318-F321 PolarHBondContact O-N 3.25Å; I318-A322 VanDerWaalsContact O-CB 3.31Å; I318-A322 WeakPolarHBondContact O-CB 3.32Å; I318-A322 PolarHBondContact O-N 2.99Å |
| 319 | A | 90.7 | Very high | 85 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.1 | -40.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q283 V286 L287 P315 E316 L317 A322 A323 | Q283-A319 HydrophobicContact CG-CB 4.1Å; V286-A319 HydrophobicContact CB-CB 4Å; V286-A319 HydrophobicContact CG1-CB 3.82Å; L287-A319 HydrophobicContact CB-CB 4.41Å; L287-A319 HydrophobicContact CD1-CB 4.47Å; L287-A319 HydrophobicContact CD2-CB 3.71Å; L287-A319 HydrophobicContact CG-CB 3.49Å; L287-A319 VanDerWaalsContact CG-CB 3.49Å; P315-A319 VanDerWaalsContact O-CB 3.25Å; P315-A319 WeakPolarHBondContact O-CB 3.15Å; P315-A319 PolarHBondContact O-N 3.34Å; E316-A319 PolarHBondContact O-N 2.93Å; L317-A319 VanDerWaalsContact C-N 3.35Å; A319-A322 PolarHBondContact O-N 3.23Å; A319-A323 WeakPolarHBondContact O-CB 3.5Å; A319-A323 PolarHBondContact O-N 3.29Å |
| 320 | N | 88.3 | Confident | 86.7 | Confident | 9 Ų | 9 | 31 Ų | 31 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.3 | -47 | 174.4 | -74.1 | -14.9 | 0 | 0 | 0 | 111.4 | P50 G51 Q283 E316 L317 A323 S324 | P50-N320 HydrophobicContact CB-CB 3.81Å; G51-N320 PolarHBondContact N-ND2 2.86Å; Q283-N320 WeakPolarHBondContact CG-OD1 3.13Å; Q283-N320 PolarHBondContact NE2-OD1 3.39Å; E316-N320 VanDerWaalsContact O-CB 3.26Å; E316-N320 WeakPolarHBondContact O-CB 3.47Å; E316-N320 PolarHBondContact O-N 2.89Å; E316-N320 PolarHBondContact O-ND2 3.43Å; L317-N320 PolarHBondContact O-N 3.39Å; N320-A323 PolarHBondContact O-N 2.97Å; N320-S324 PolarHBondContact O-N 3.38Å; N320-S324 PolarHBondContact O-OG 3.08Å; N320-S324 VanDerWaalsContact O-OG 3.08Å |
| 321 | F | 90.4 | Very high | 88.1 | Confident | 35 Ų | 35 | 31.2 Ų | 31.2 | 15% | 0.154 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.7 | -46.5 | 175.4 | 169.7 | -91.2 | 0 | 0 | 0 | 112.4 | L317 I318 A323 S324 L325 Y396 H399 A400 L403 | L317-F321 VanDerWaalsContact O-CB 3.29Å; L317-F321 WeakPolarHBondContact O-CB 3.46Å; L317-F321 PolarHBondContact O-N 3.43Å; I318-F321 PolarHBondContact O-N 3.25Å; F321-A323 VanDerWaalsContact C-N 3.35Å; F321-S324 PolarHBondContact O-OG 3.07Å; F321-L325 HydrophobicContact CE1-CD2 4.26Å; F321-L325 HydrophobicContact CZ-CD2 4.39Å; F321-L325 WeakPolarHBondContact O-CB 3.29Å; F321-L325 PolarHBondContact O-N 3.13Å; F321-Y396 HydrophobicContact CD2-CD1 4.17Å; F321-Y396 AromaticContact CE2-CD1 3.66Å; F321-Y396 HydrophobicContact CE2-CD1 3.66Å; F321-Y396 HydrophobicContact CE2-CG 4.5Å; F321-Y396 HydrophobicContact CZ-CD1 4.16Å; F321-H399 HydrophobicContact CD2-CB 4.43Å; F321-H399 AromaticContact CD2-CG 3.99Å; F321-H399 AromaticContact CD2-ND1 3.74Å; F321-H399 HydrophobicContact CE2-CB 4.14Å; F321-A400 HydrophobicContact CE2-CB 4.1Å; F321-A400 HydrophobicContact CZ-CB 3.87Å; F321-L403 HydrophobicContact CB-CD1 4.07Å; F321-L403 HydrophobicContact CD2-CD1 3.9Å; F321-L403 HydrophobicContact CG-CD1 4.09Å |
| 322 | A | 93.1 | Very high | 89.5 | Confident | 22 Ų | 22 | 28.4 Ų | 28.4 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.8 | -39.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V286 I318 A319 C326 | V286-A322 HydrophobicContact CG1-CB 4.37Å; V286-A322 HydrophobicContact CG2-CB 4.01Å; I318-A322 VanDerWaalsContact O-CB 3.31Å; I318-A322 WeakPolarHBondContact O-CB 3.32Å; I318-A322 PolarHBondContact O-N 2.99Å; A319-A322 PolarHBondContact O-N 3.23Å; A322-C326 WeakPolarHBondContact O-CB 3.47Å; A322-C326 PolarHBondContact O-N 3.31Å; A322-C326 PolarHBondContact O-SG 2.96Å |
| 323 | A | 92.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.033 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S279 I282 Q283 A319 N320 F321 S327 | S279-A323 WeakPolarHBondContact O-CB 3.37Å; I282-A323 HydrophobicContact CB-CB 4.32Å; I282-A323 HydrophobicContact CG2-CB 4.26Å; Q283-A323 HydrophobicContact CB-CB 3.76Å; A319-A323 WeakPolarHBondContact O-CB 3.5Å; A319-A323 PolarHBondContact O-N 3.29Å; N320-A323 PolarHBondContact O-N 2.97Å; F321-A323 VanDerWaalsContact C-N 3.35Å; A323-S327 WeakPolarHBondContact O-CB 3.31Å; A323-S327 PolarHBondContact O-N 2.75Å; A323-S327 PolarHBondContact O-OG 2.85Å |
| 324 | S | 91.2 | Very high | 91.8 | Very high | 8 Ų | 8 | 27 Ų | 27 | 6% | 0.056 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.1 | -44.7 | 179 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | N320 F321 C326 S327 D328 Y396 | N320-S324 PolarHBondContact O-N 3.38Å; N320-S324 PolarHBondContact O-OG 3.08Å; N320-S324 VanDerWaalsContact O-OG 3.08Å; F321-S324 PolarHBondContact O-OG 3.07Å; S324-C326 PolarHBondContact O-N 3.49Å; S324-S327 WeakPolarHBondContact CA-OG 3.46Å; S324-S327 PolarHBondContact O-N 2.95Å; S324-S327 PolarHBondContact O-OG 3.5Å; S324-D328 WeakPolarHBondContact O-CB 3.3Å; S324-D328 VanDerWaalsContact O-CG 3.27Å; S324-D328 PolarHBondContact O-N 2.8Å; S324-Y396 PolarHBondContact O-OH 3.07Å |
| 325 | L | 93.7 | Very high | 92.5 | Very high | 53 Ų | 53 | 27.2 Ų | 27.2 | 28% | 0.277 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -57.2 | -51.7 | 176 | 173.7 | 60.4 | 0 | 0 | 0 | 111.2 | F321 D328 V329 Y396 | F321-L325 HydrophobicContact CE1-CD2 4.26Å; F321-L325 HydrophobicContact CZ-CD2 4.39Å; F321-L325 WeakPolarHBondContact O-CB 3.29Å; F321-L325 PolarHBondContact O-N 3.13Å; L325-D328 PolarHBondContact O-N 3.24Å; L325-V329 HydrophobicContact CD1-CG2 4.05Å; L325-V329 VanDerWaalsContact O-CG2 3.28Å; L325-V329 WeakPolarHBondContact O-CG2 3.43Å; L325-V329 PolarHBondContact O-N 2.77Å; L325-Y396 VanDerWaalsContact CA-CE1 3.5Å; L325-Y396 HydrophobicContact CB-CD1 3.75Å; L325-Y396 HydrophobicContact CB-CE1 3.7Å; L325-Y396 HydrophobicContact CB-CG 4.33Å; L325-Y396 HydrophobicContact CD1-CD1 3.95Å; L325-Y396 HydrophobicContact CD1-CD2 3.77Å; L325-Y396 HydrophobicContact CD1-CE1 4.4Å; L325-Y396 HydrophobicContact CD1-CE2 4.23Å; L325-Y396 HydrophobicContact CD1-CG 3.62Å; L325-Y396 HydrophobicContact CG-CD1 4.34Å; L325-Y396 HydrophobicContact CG-CG 4.47Å |
| 326 | C | 95.8 | Very high | 93 | Very high | 49 Ų | 49 | 26.4 Ų | 26.4 | 33% | 0.331 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -68.3 | -39 | -176.6 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | I282 A322 S324 V329 I330 | I282-C326 HydrophobicContact CD1-CB 3.27Å; I282-C326 HydrophobicContact CG2-CB 4.35Å; A322-C326 WeakPolarHBondContact O-CB 3.47Å; A322-C326 PolarHBondContact O-N 3.31Å; A322-C326 PolarHBondContact O-SG 2.96Å; S324-C326 PolarHBondContact O-N 3.49Å; C326-V329 PolarHBondContact O-N 2.65Å; C326-I330 WeakPolarHBondContact O-CB 3.44Å; C326-I330 WeakPolarHBondContact O-CD1 3.49Å; C326-I330 WeakPolarHBondContact O-CG1 3.42Å; C326-I330 PolarHBondContact O-N 3.39Å |
| 327 | S | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.7 | -43 | 175.7 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | H275 S279 A323 S324 I330 L331 | H275-S327 PolarHBondContact CE1-OG 3.04Å; H275-S327 VanDerWaalsContact CE1-OG 3.3Å; H275-S327 PolarHBondContact NE2-OG 3.34Å; H275-S327 VanDerWaalsContact NE2-OG 3.16Å; S279-S327 WeakPolarHBondContact OG-CB 3.37Å; S279-S327 PolarHBondContact OG-OG 3.13Å; A323-S327 WeakPolarHBondContact O-CB 3.31Å; A323-S327 PolarHBondContact O-N 2.75Å; A323-S327 PolarHBondContact O-OG 2.85Å; S324-S327 WeakPolarHBondContact CA-OG 3.46Å; S324-S327 PolarHBondContact O-N 2.95Å; S324-S327 PolarHBondContact O-OG 3.5Å; S327-I330 PolarHBondContact O-N 2.59Å; S327-L331 WeakPolarHBondContact O-CB 3.34Å; S327-L331 PolarHBondContact O-N 3.09Å |
| 328 | D | 93.4 | Very high | 94.2 | Very high | 18 Ų | 18 | 24.5 Ų | 24.5 | 10% | 0.096 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | 178.9 | -74.6 | 7.2 | 0 | 0 | 0 | 111.8 | R124 H275 S324 L325 Y332 Y396 | R124-D328 IonicContact NH1-OD2 3.98Å; H275-D328 IonicContact CD2-OD1 2.66Å; H275-D328 IonicContact CE1-OD1 2.75Å; H275-D328 IonicContact NE2-OD1 2.92Å; H275-D328 PolarHBondContact NE2-OD1 2.9Å; S324-D328 WeakPolarHBondContact O-CB 3.3Å; S324-D328 VanDerWaalsContact O-CG 3.27Å; S324-D328 PolarHBondContact O-N 2.8Å; L325-D328 PolarHBondContact O-N 3.24Å; D328-Y332 WeakPolarHBondContact O-CA 3.24Å; D328-Y332 VanDerWaalsContact O-CB 3.32Å; D328-Y332 WeakPolarHBondContact O-CB 3.29Å; D328-Y332 PolarHBondContact O-N 3.13Å; D328-Y396 HydrophobicContact CB-CE2 4.34Å; D328-Y396 VanDerWaalsContact CG-OH 3.26Å; D328-Y396 WeakPolarHBondContact OD2-CE2 3.31Å; D328-Y396 PolarHBondContact OD2-OH 2.89Å |
| 329 | V | 96.1 | Very high | 94.5 | Very high | 54 Ų | 54 | 21.2 Ų | 21.2 | 33% | 0.327 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -66.9 | -45.2 | 176.7 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | L325 C326 F389 | L325-V329 HydrophobicContact CD1-CG2 4.05Å; L325-V329 VanDerWaalsContact O-CG2 3.28Å; L325-V329 WeakPolarHBondContact O-CG2 3.43Å; L325-V329 PolarHBondContact O-N 2.77Å; C326-V329 PolarHBondContact O-N 2.65Å; V329-F389 HydrophobicContact CG1-CE2 4.42Å; V329-F389 HydrophobicContact CG1-CZ 4.34Å; V329-F389 HydrophobicContact CG2-CE2 4.16Å; V329-F389 HydrophobicContact CG2-CZ 4.01Å |
| 330 | I | 96.7 | Very high | 94.7 | Very high | 99 Ų | 99 | 21.3 Ų | 21.3 | 51% | 0.508 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -67.1 | -41.4 | -178.1 | -68.9 | 166 | 0 | 0 | 0 | 110.8 | I278 I282 C326 S327 | I278-I330 HydrophobicContact CD1-CG2 3.93Å; I278-I330 HydrophobicContact CG2-CD1 4.02Å; I282-I330 HydrophobicContact CD1-CD1 4.41Å; C326-I330 WeakPolarHBondContact O-CB 3.44Å; C326-I330 WeakPolarHBondContact O-CD1 3.49Å; C326-I330 WeakPolarHBondContact O-CG1 3.42Å; C326-I330 PolarHBondContact O-N 3.39Å; S327-I330 PolarHBondContact O-N 2.59Å |
| 331 | L | 96.3 | Very high | 94.9 | Very high | 11 Ų | 11 | 21 Ų | 21 | 6% | 0.058 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -93.1 | 1.8 | -176 | -64.2 | 173.6 | 0 | 0 | 0 | 114.1 | L274 H275 I278 S327 P333 L334 E335 | L274-L331 HydrophobicContact CB-CD1 3.98Å; L274-L331 HydrophobicContact CB-CD2 3.87Å; L274-L331 HydrophobicContact CD1-CD2 4.07Å; H275-L331 HydrophobicContact CB-CD1 3.56Å; H275-L331 VanDerWaalsContact N-CD1 3.25Å; I278-L331 HydrophobicContact CD1-CD1 4.11Å; I278-L331 HydrophobicContact CD1-CD2 4.02Å; I278-L331 HydrophobicContact CD1-CG 4.02Å; S327-L331 WeakPolarHBondContact O-CB 3.34Å; S327-L331 PolarHBondContact O-N 3.09Å; L331-P333 VanDerWaalsContact C-CD 3.45Å; L331-P333 VanDerWaalsContact C-N 3.33Å; L331-L334 HydrophobicContact CD2-CD2 4.17Å; L331-L334 WeakPolarHBondContact O-CB 3.37Å; L331-L334 PolarHBondContact O-N 2.89Å; L331-E335 PolarHBondContact O-N 3.45Å |
| 332 | Y | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -48.7 | -46.7 | 179.7 | -159.6 | -75.8 | 0 | 0 | 0 | 113.6 | R124 Q128 D328 L334 E335 T336 F385 Y386 K387 G388 F389 V392 | R124-Y332 HydrophobicContact CG-CE2 4.31Å; R124-Y332 VanDerWaalsContact NH2-CE2 3.25Å; Q128-Y332 HydrophobicContact CG-CE1 4.28Å; D328-Y332 WeakPolarHBondContact O-CA 3.24Å; D328-Y332 VanDerWaalsContact O-CB 3.32Å; D328-Y332 WeakPolarHBondContact O-CB 3.29Å; D328-Y332 PolarHBondContact O-N 3.13Å; Y332-L334 VanDerWaalsContact C-N 3.33Å; Y332-L334 PolarHBondContact O-N 3.1Å; Y332-E335 PolarHBondContact O-N 2.92Å; Y332-T336 WeakPolarHBondContact CE1-OG1 3.33Å; Y332-T336 PolarHBondContact O-N 3.46Å; Y332-T336 PolarHBondContact O-OG1 3.43Å; Y332-F385 WeakPolarHBondContact CD1-O 3.48Å; Y332-F385 VanDerWaalsContact CE1-O 3.31Å; Y332-F385 WeakPolarHBondContact CE1-O 3.26Å; Y332-Y386 AromaticContact CD1-CD1 3.92Å; Y332-Y386 HydrophobicContact CD1-CD1 3.92Å; Y332-Y386 HydrophobicContact CD1-CG 4.46Å; Y332-Y386 VanDerWaalsContact CE1-CA 3.5Å; Y332-Y386 HydrophobicContact CG-CD1 4.23Å; Y332-K387 PolarHBondContact OH-O 3.39Å; Y332-G388 PolarHBondContact OH-O 2.77Å; Y332-F389 AromaticContact CD2-CD2 3.69Å; Y332-F389 HydrophobicContact CD2-CD2 3.69Å; Y332-F389 HydrophobicContact CD2-CE2 4.13Å; Y332-F389 HydrophobicContact CE2-CB 4.49Å; Y332-F389 AromaticContact CE2-CD2 3.78Å; Y332-F389 HydrophobicContact CE2-CD2 3.78Å; Y332-F389 HydrophobicContact CG-CD2 4.1Å; Y332-F389 PolarHBondContact OH-N 3.1Å; Y332-F389 VanDerWaalsContact OH-N 3.16Å; Y332-V392 HydrophobicContact CD2-CG2 4.18Å; Y332-V392 HydrophobicContact CE2-CG2 3.59Å |
| 333 | P | 97.6 | Very high | 94.7 | Very high | 32 Ų | 32 | 18.6 Ų | 18.6 | 21% | 0.208 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 179 | -24.2 | 37.2 | 0 | 0 | 0 | 113 | L331 T336 V337 F385 Y386 | L331-P333 VanDerWaalsContact C-CD 3.45Å; L331-P333 VanDerWaalsContact C-N 3.33Å; P333-T336 PolarHBondContact O-N 3.28Å; P333-V337 WeakPolarHBondContact O-CG2 3.09Å; P333-V337 PolarHBondContact O-N 3.37Å; P333-F385 HydrophobicContact CB-CB 3.93Å; P333-F385 HydrophobicContact CB-CD1 4.02Å; P333-F385 HydrophobicContact CB-CG 4.18Å; P333-F385 HydrophobicContact CG-CB 4.42Å; P333-Y386 HydrophobicContact CG-CE1 4.06Å; P333-Y386 HydrophobicContact CG-CE2 4.12Å; P333-Y386 WeakPolarHBondContact CG-OH 3.26Å |
| 334 | L | 96.9 | Very high | 94.4 | Very high | 29 Ų | 29 | 18.4 Ų | 18.4 | 15% | 0.152 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.4 | -39.5 | 178.5 | -179.3 | 62.2 | 0 | 0 | 0 | 110.8 | L270 H271 L274 L331 Y332 V337 L338 M369 | L270-L334 HydrophobicContact CD2-CD1 4.44Å; L270-L334 HydrophobicContact CG-CD2 4.3Å; H271-L334 HydrophobicContact CB-CD2 3.95Å; H271-L334 HydrophobicContact CB-CG 4.21Å; L274-L334 HydrophobicContact CD1-CD2 3.85Å; L331-L334 HydrophobicContact CD2-CD2 4.17Å; L331-L334 WeakPolarHBondContact O-CB 3.37Å; L331-L334 PolarHBondContact O-N 2.89Å; Y332-L334 VanDerWaalsContact C-N 3.33Å; Y332-L334 PolarHBondContact O-N 3.1Å; L334-V337 PolarHBondContact O-N 2.7Å; L334-L338 WeakPolarHBondContact O-CB 3.24Å; L334-L338 PolarHBondContact O-N 3.22Å; L334-M369 HydrophobicContact CD1-SD 4.13Å |
| 335 | E | 96.3 | Very high | 93.7 | Very high | 17 Ų | 17 | 18.5 Ų | 18.5 | 8% | 0.079 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 174.9 | -170.8 | -177.4 | 145.4 | 0 | 0 | 111.8 | R124 L331 Y332 V337 L338 H339 | R124-E335 VanDerWaalsContact CZ-CD 3.48Å; R124-E335 IonicContact CZ-OE1 2.79Å; R124-E335 IonicContact CZ-OE2 2.79Å; R124-E335 IonicContact NE-OE1 2.75Å; R124-E335 PolarHBondContact NE-OE1 2.73Å; R124-E335 IonicContact NH1-OE1 2.81Å; R124-E335 PolarHBondContact NH1-OE1 3.47Å; R124-E335 IonicContact NH1-OE2 3.83Å; R124-E335 IonicContact NH2-OE1 3.02Å; R124-E335 PolarHBondContact NH2-OE1 2.95Å; R124-E335 IonicContact NH2-OE2 2.76Å; R124-E335 PolarHBondContact NH2-OE2 2.76Å; L331-E335 PolarHBondContact O-N 3.45Å; Y332-E335 PolarHBondContact O-N 2.92Å; E335-V337 VanDerWaalsContact C-N 3.34Å; E335-V337 PolarHBondContact O-N 3.37Å; E335-L338 WeakPolarHBondContact O-CB 3.5Å; E335-L338 PolarHBondContact O-N 3.09Å; E335-H339 VanDerWaalsContact CG-CE1 3.44Å; E335-H339 WeakPolarHBondContact CG-CE1 3.42Å; E335-H339 PolarHBondContact O-N 3.16Å; E335-H339 IonicContact OE1-CE1 3.93Å; E335-H339 PolarHBondContact OE1-CE1 3.03Å; E335-H339 IonicContact OE1-NE2 3.92Å |
| 336 | T | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 176 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | Q128 Y332 P333 R340 F385 | Q128-T336 HydrophobicContact CB-CG2 4.2Å; Q128-T336 HydrophobicContact CG-CG2 4.33Å; Q128-T336 PolarHBondContact NE2-OG1 2.88Å; Y332-T336 WeakPolarHBondContact CE1-OG1 3.33Å; Y332-T336 PolarHBondContact O-N 3.46Å; Y332-T336 PolarHBondContact O-OG1 3.43Å; P333-T336 PolarHBondContact O-N 3.28Å; T336-R340 WeakPolarHBondContact O-CG 3.45Å; T336-R340 PolarHBondContact O-N 3.14Å; T336-F385 WeakPolarHBondContact CB-O 3.18Å; T336-F385 PolarHBondContact OG1-O 2.88Å |
| 337 | V | 96.8 | Very high | 92 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 175 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | P333 L334 E335 H339 R340 L341 M369 C372 I373 I376 F385 | P333-V337 WeakPolarHBondContact O-CG2 3.09Å; P333-V337 PolarHBondContact O-N 3.37Å; L334-V337 PolarHBondContact O-N 2.7Å; E335-V337 VanDerWaalsContact C-N 3.34Å; E335-V337 PolarHBondContact O-N 3.37Å; V337-H339 PolarHBondContact O-N 2.9Å; V337-R340 PolarHBondContact O-N 3.09Å; V337-L341 HydrophobicContact CG1-CD1 3.88Å; V337-L341 HydrophobicContact CG1-CG 4.3Å; V337-L341 VanDerWaalsContact O-CG 3.28Å; V337-L341 WeakPolarHBondContact O-CG 3.18Å; V337-L341 PolarHBondContact O-N 2.93Å; V337-M369 HydrophobicContact CG1-CG 3.65Å; V337-C372 HydrophobicContact CG1-CB 4.1Å; V337-I373 HydrophobicContact CG1-CG1 4.23Å; V337-I373 HydrophobicContact CG2-CG1 3.73Å; V337-I376 HydrophobicContact CG2-CD1 3.94Å; V337-F385 HydrophobicContact CG2-CD1 4.15Å; V337-F385 HydrophobicContact CG2-CE1 3.8Å |
| 338 | L | 95.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.1 | -53.3 | 178 | -177.6 | 68.4 | 0 | 0 | 0 | 111 | Y217 P267 H271 L334 E335 R340 L341 H342 | Y217-L338 HydrophobicContact CE1-CD2 4.24Å; P267-L338 HydrophobicContact CB-CD1 3.94Å; P267-L338 HydrophobicContact CG-CD1 4.47Å; H271-L338 HydrophobicContact CB-CD2 3.91Å; L334-L338 WeakPolarHBondContact O-CB 3.24Å; L334-L338 PolarHBondContact O-N 3.22Å; E335-L338 WeakPolarHBondContact O-CB 3.5Å; E335-L338 PolarHBondContact O-N 3.09Å; L338-R340 VanDerWaalsContact C-N 3.27Å; L338-R340 PolarHBondContact O-N 3.38Å; L338-L341 PolarHBondContact O-N 3.46Å; L338-L341 VanDerWaalsContact O-N 3.12Å; L338-H342 VanDerWaalsContact CD1-CD2 3.42Å; L338-H342 WeakPolarHBondContact CD1-CD2 3.22Å; L338-H342 VanDerWaalsContact CD1-NE2 3.33Å; L338-H342 WeakPolarHBondContact CD1-NE2 3.31Å; L338-H342 PolarHBondContact O-CD2 2.97Å; L338-H342 VanDerWaalsContact O-CD2 3.24Å; L338-H342 PolarHBondContact O-N 2.9Å |
| 339 | H | 95.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.2 | -41.5 | -178.7 | -70.2 | 162 | 0 | 0 | 0 | 112.6 | Q128 V129 Y217 L221 E335 V337 H342 I343 | Q128-H339 PolarHBondContact OE1-CE1 3.27Å; Q128-H339 PolarHBondContact OE1-ND1 2.86Å; V129-H339 HydrophobicContact CG1-CB 3.96Å; Y217-H339 PolarHBondContact OH-CD2 3.11Å; Y217-H339 PolarHBondContact OH-NE2 2.91Å; L221-H339 HydrophobicContact CD1-CB 4.5Å; L221-H339 HydrophobicContact CD2-CB 4.2Å; E335-H339 VanDerWaalsContact CG-CE1 3.44Å; E335-H339 WeakPolarHBondContact CG-CE1 3.42Å; E335-H339 PolarHBondContact O-N 3.16Å; E335-H339 IonicContact OE1-CE1 3.93Å; E335-H339 PolarHBondContact OE1-CE1 3.03Å; E335-H339 IonicContact OE1-NE2 3.92Å; V337-H339 PolarHBondContact O-N 2.9Å; H339-H342 PolarHBondContact O-N 2.86Å; H339-I343 WeakPolarHBondContact O-CG2 3.2Å; H339-I343 PolarHBondContact O-N 3.3Å |
| 340 | R | 94.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 177.3 | -75.9 | 174.3 | 176.2 | -131.2 | 14.1 | 113 | Q128 T336 V337 L338 I343 Q344 Y366 E380 | Q128-R340 PolarHBondContact O-NE 3.02Å; Q128-R340 PolarHBondContact O-NH2 2.98Å; T336-R340 WeakPolarHBondContact O-CG 3.45Å; T336-R340 PolarHBondContact O-N 3.14Å; V337-R340 PolarHBondContact O-N 3.09Å; L338-R340 VanDerWaalsContact C-N 3.27Å; L338-R340 PolarHBondContact O-N 3.38Å; R340-I343 PolarHBondContact O-N 3.35Å; R340-Q344 WeakPolarHBondContact O-CB 3.14Å; R340-Q344 PolarHBondContact O-N 3.48Å; R340-Y366 HydrophobicContact CB-CE2 3.86Å; R340-Y366 PolarHBondContact NH1-OH 3.12Å; R340-E380 IonicContact CZ-OE1 3.24Å; R340-E380 VanDerWaalsContact CZ-OE1 3.24Å; R340-E380 IonicContact CZ-OE2 3.68Å; R340-E380 IonicContact NH1-OE1 2.63Å; R340-E380 PolarHBondContact NH1-OE1 2.93Å; R340-E380 IonicContact NH1-OE2 3.83Å; R340-E380 VanDerWaalsContact NH2-CD 3.31Å; R340-E380 IonicContact NH2-OE1 3.25Å; R340-E380 PolarHBondContact NH2-OE1 3.03Å; R340-E380 IonicContact NH2-OE2 3.46Å; R340-E380 PolarHBondContact NH2-OE2 2.92Å |
| 341 | L | 92.8 | Very high | 91 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.016 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.9 | -36.7 | 176.9 | -68.4 | 172.9 | 0 | 0 | 0 | 112.5 | L259 L264 P267 V337 L338 I343 Q344 Y366 M369 C372 | L259-L341 HydrophobicContact CD1-CD2 4.03Å; L264-L341 HydrophobicContact CD2-CB 3.69Å; L264-L341 WeakPolarHBondContact CD2-O 3.43Å; P267-L341 HydrophobicContact CB-CD1 4.1Å; P267-L341 HydrophobicContact CG-CD1 4.04Å; V337-L341 HydrophobicContact CG1-CD1 3.88Å; V337-L341 HydrophobicContact CG1-CG 4.3Å; V337-L341 VanDerWaalsContact O-CG 3.28Å; V337-L341 WeakPolarHBondContact O-CG 3.18Å; V337-L341 PolarHBondContact O-N 2.93Å; L338-L341 PolarHBondContact O-N 3.46Å; L338-L341 VanDerWaalsContact O-N 3.12Å; L341-I343 VanDerWaalsContact C-N 3.34Å; L341-Q344 WeakPolarHBondContact O-CG 3.49Å; L341-Q344 PolarHBondContact O-NE2 2.95Å; L341-Y366 HydrophobicContact CD2-CD2 4.39Å; L341-M369 HydrophobicContact CD1-CB 3.86Å; L341-M369 HydrophobicContact CD1-CG 4.1Å; L341-C372 HydrophobicContact CD2-CB 3.96Å; L341-C372 HydrophobicContact CG-CB 4.42Å |
| 342 | H | 90.4 | Very high | 90.7 | Very high | 5 Ų | 5 | 19.8 Ų | 19.8 | 2% | 0.023 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.4 | -28.9 | 178.9 | -86.9 | -88.9 | 0 | 0 | 0 | 113.3 | M214 Y217 S218 L221 T268 L338 H339 | M214-H342 VanDerWaalsContact CE-CE1 3.43Å; M214-H342 WeakPolarHBondContact CE-CE1 3.5Å; Y217-H342 AromaticContact CD1-CE1 3.8Å; Y217-H342 AromaticContact CE1-CD2 3.98Å; Y217-H342 AromaticContact CE1-NE2 3.84Å; S218-H342 PolarHBondContact OG-CE1 2.94Å; S218-H342 VanDerWaalsContact OG-CE1 3.3Å; S218-H342 PolarHBondContact OG-ND1 3.13Å; L221-H342 HydrophobicContact CD2-CB 3.56Å; T268-H342 PolarHBondContact OG1-CE1 3.08Å; T268-H342 PolarHBondContact OG1-NE2 3.35Å; L338-H342 VanDerWaalsContact CD1-CD2 3.42Å; L338-H342 WeakPolarHBondContact CD1-CD2 3.22Å; L338-H342 VanDerWaalsContact CD1-NE2 3.33Å; L338-H342 WeakPolarHBondContact CD1-NE2 3.31Å; L338-H342 PolarHBondContact O-CD2 2.97Å; L338-H342 VanDerWaalsContact O-CD2 3.24Å; L338-H342 PolarHBondContact O-N 2.9Å; H339-H342 PolarHBondContact O-N 2.86Å |
| 343 | I | 88.8 | Confident | 90.4 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -100.9 | -22.7 | -172.8 | -155.4 | 163.4 | 0 | 0 | 0 | 114.8 | V129 I222 V225 H339 R340 L341 T346 T348 I362 | V129-I343 HydrophobicContact CB-CG2 4.23Å; V129-I343 HydrophobicContact CG1-CG2 3.96Å; I222-I343 HydrophobicContact CG1-CG1 4.2Å; V225-I343 HydrophobicContact CB-CD1 4.39Å; V225-I343 HydrophobicContact CG2-CD1 3.06Å; H339-I343 WeakPolarHBondContact O-CG2 3.2Å; H339-I343 PolarHBondContact O-N 3.3Å; R340-I343 PolarHBondContact O-N 3.35Å; L341-I343 VanDerWaalsContact C-N 3.34Å; I343-T346 WeakPolarHBondContact CG1-OG1 3.35Å; I343-T346 WeakPolarHBondContact O-CB 3.09Å; I343-T346 WeakPolarHBondContact O-CG2 3.47Å; I343-T346 PolarHBondContact O-N 3.39Å; I343-T346 PolarHBondContact O-OG1 3.47Å; I343-T348 HydrophobicContact CG1-CG2 4.39Å; I343-I362 HydrophobicContact CB-CD1 4.3Å; I343-I362 HydrophobicContact CD1-CD1 3.41Å; I343-I362 VanDerWaalsContact CD1-CD1 3.41Å; I343-I362 HydrophobicContact CG1-CD1 3.66Å; I343-I362 HydrophobicContact CG2-CD1 3.7Å; I343-I362 HydrophobicContact CG2-CG2 4.37Å |
| 344 | Q | 87.5 | Confident | 89.8 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 150.5 | 177.6 | 63.8 | 175.4 | -32.2 | 0 | 0 | 112.1 | L258 L259 R340 L341 T346 Y366 | L258-Q344 VanDerWaalsContact CD1-O 3.25Å; L258-Q344 WeakPolarHBondContact CD1-O 3.49Å; L259-Q344 VanDerWaalsContact CG-NE2 3.29Å; R340-Q344 WeakPolarHBondContact O-CB 3.14Å; R340-Q344 PolarHBondContact O-N 3.48Å; L341-Q344 WeakPolarHBondContact O-CG 3.49Å; L341-Q344 PolarHBondContact O-NE2 2.95Å; Q344-T346 PolarHBondContact O-N 2.96Å; Q344-Y366 HydrophobicContact CB-CD2 4.5Å; Q344-Y366 PolarHBondContact OE1-O 3.46Å |
| 345 | G | 75.8 | Confident | 89.2 | Confident | 11 Ų | 11 | 22.1 Ų | 22.1 | 11% | 0.113 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | -10 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 346 | T | 76.2 | Confident | 88.4 | Confident | 17 Ų | 17 | 21.3 Ų | 21.3 | 10% | 0.104 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -79.4 | 135.9 | 166.3 | 74 | 0 | 0 | 0 | 0 | 108.2 | I222 L258 I343 Q344 T348 | I222-T346 HydrophobicContact CD1-CG2 3.78Å; I222-T346 HydrophobicContact CG1-CG2 4.4Å; L258-T346 HydrophobicContact CD1-CG2 3.85Å; I343-T346 WeakPolarHBondContact CG1-OG1 3.35Å; I343-T346 WeakPolarHBondContact O-CB 3.09Å; I343-T346 WeakPolarHBondContact O-CG2 3.47Å; I343-T346 PolarHBondContact O-N 3.39Å; I343-T346 PolarHBondContact O-OG1 3.47Å; Q344-T346 PolarHBondContact O-N 2.96Å; T346-T348 PolarHBondContact O-N 3.35Å; T346-T348 WeakPolarHBondContact OG1-CG2 3.41Å; T346-T348 PolarHBondContact OG1-OG1 3Å; T346-T348 VanDerWaalsContact OG1-OG1 3.07Å |
| 347 | R | 78.4 | Confident | 87.5 | Confident | 217 Ų | 217 | 27.8 Ų | 27.8 | 82% | 0.819 | 13% | 0.126 | S | C | * | . | trans | -74.9 | 38.2 | 180 | -64.9 | 179.9 | 178.1 | 165.9 | -1.2 | 111.6 | ||||
| 348 | T | 86.6 | Confident | 87 | Confident | 8 Ų | 8 | 31.9 Ų | 31.9 | 5% | 0.049 | 15% | 0.145 | C | C | . | . | trans | -77.2 | 137.9 | -174.7 | 49.8 | 0 | 0 | 0 | 0 | 110.8 | I222 I343 T346 I362 | I222-T348 HydrophobicContact CB-CG2 4.47Å; I222-T348 HydrophobicContact CG1-CG2 4.4Å; I222-T348 HydrophobicContact CG2-CG2 3.5Å; I343-T348 HydrophobicContact CG1-CG2 4.39Å; T346-T348 PolarHBondContact O-N 3.35Å; T346-T348 WeakPolarHBondContact OG1-CG2 3.41Å; T346-T348 PolarHBondContact OG1-OG1 3Å; T346-T348 VanDerWaalsContact OG1-OG1 3.07Å; T348-I362 PolarHBondContact O-N 3.49Å; T348-I362 WeakPolarHBondContact OG1-CD1 3.1Å | ||
| 349 | I | 89.1 | Confident | 86.7 | Confident | 53 Ų | 53 | 34.3 Ų | 34.3 | 27% | 0.272 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 122.2 | 173.5 | -63.3 | 167 | 0 | 0 | 0 | 106.8 | S227 I230 V359 L360 P361 | S227-I349 PolarHBondContact N-O 3.31Å; I230-I349 HydrophobicContact CD1-CB 3.5Å; I230-I349 HydrophobicContact CD1-CD1 3.62Å; I230-I349 HydrophobicContact CD1-CG1 4.14Å; I230-I349 HydrophobicContact CD1-CG2 3.27Å; I349-V359 HydrophobicContact CG2-CB 3.61Å; I349-V359 HydrophobicContact CG2-CG2 3.84Å; I349-L360 CarbonylContact C-O 3.56Å; I349-L360 WeakPolarHBondContact CA-O 3.39Å; I349-P361 HydrophobicContact CG1-CB 4.42Å |
| 350 | I | 91.3 | Very high | 86.4 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 164.1 | -177.3 | 61.9 | 169.1 | 0 | 0 | 0 | 110.8 | V129 N130 V225 V359 L360 I362 | V129-I350 HydrophobicContact CG2-CD1 4.12Å; V129-I350 HydrophobicContact CG2-CG2 4.13Å; N130-I350 HydrophobicContact CB-CD1 3.89Å; V225-I350 HydrophobicContact CB-CG2 4.26Å; V225-I350 HydrophobicContact CG2-CG2 4.3Å; I350-V359 CarbonylContact O-C 3.55Å; I350-V359 VanDerWaalsContact O-CA 3.24Å; I350-V359 WeakPolarHBondContact O-CA 3.29Å; I350-L360 HydrophobicContact CG1-CB 4.16Å; I350-L360 WeakPolarHBondContact CG1-O 3.5Å; I350-L360 PolarHBondContact N-O 2.96Å; I350-L360 PolarHBondContact O-N 3.14Å; I350-I362 HydrophobicContact CD1-CG1 4.44Å; I350-I362 HydrophobicContact CG1-CG1 4.41Å; I350-I362 HydrophobicContact CG2-CD1 3.68Å; I350-I362 HydrophobicContact CG2-CG1 3.88Å |
| 351 | D | 90.5 | Very high | 86.2 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 139.2 | 173 | -55.6 | -64 | 0 | 0 | 0 | 110.1 | Q126 F150 Q154 K161 S227 T353 | Q126-D351 PolarHBondContact NE2-OD2 3.37Å; F150-D351 HydrophobicContact CE1-CB 3.72Å; F150-D351 HydrophobicContact CE2-CB 4.04Å; F150-D351 HydrophobicContact CZ-CB 3.35Å; Q154-D351 PolarHBondContact NE2-OD1 3.19Å; K161-D351 IonicContact NZ-OD2 2.74Å; K161-D351 PolarHBondContact NZ-OD2 3.43Å; S227-D351 WeakPolarHBondContact CB-OD1 3.43Å; S227-D351 PolarHBondContact OG-OD1 3.25Å; D351-T353 PolarHBondContact O-N 2.89Å |
| 352 | N | 90.5 | Very high | 85.8 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 5% | 0.053 | 20% | 0.196 | C | C | . | . | trans | -72.1 | 108.7 | 176.7 | -173 | -16.8 | 0 | 0 | 0 | 109.9 | D354 G356 E358 L360 | N352-D354 VanDerWaalsContact C-N 3.31Å; N352-D354 PolarHBondContact O-N 3.18Å; N352-D354 WeakPolarHBondContact OD1-CB 3.32Å; N352-D354 PolarHBondContact OD1-N 3.37Å; N352-G356 WeakPolarHBondContact O-CA 3.33Å; N352-G356 PolarHBondContact O-N 3.26Å; N352-E358 HydrophobicContact CB-CB 3.83Å; N352-E358 VanDerWaalsContact CB-O 3.25Å; N352-E358 WeakPolarHBondContact CB-O 3.15Å; N352-E358 PolarHBondContact N-O 3.3Å; N352-E358 PolarHBondContact ND2-OE2 3.33Å; N352-L360 HydrophobicContact CB-CD1 3.88Å; N352-L360 HydrophobicContact CB-CG 3.99Å | ||
| 353 | T | 90.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -18.7 | 179.8 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | L123 Q126 N130 H137 I146 F150 D351 | L123-T353 HydrophobicContact CD1-CG2 4.2Å; Q126-T353 HydrophobicContact CB-CG2 3.84Å; N130-T353 PolarHBondContact ND2-OG1 3.36Å; H137-T353 PolarHBondContact CE1-O 3.05Å; H137-T353 PolarHBondContact NE2-O 2.97Å; H137-T353 VanDerWaalsContact NE2-O 3.09Å; I146-T353 WeakPolarHBondContact CD1-O 3.26Å; I146-T353 VanDerWaalsContact CG1-O 3.32Å; I146-T353 WeakPolarHBondContact CG1-O 3.25Å; F150-T353 HydrophobicContact CZ-CG2 4.43Å; D351-T353 PolarHBondContact O-N 2.89Å |
| 354 | D | 86.8 | Confident | 85.1 | Confident | 37 Ų | 37 | 45.7 Ų | 45.7 | 20% | 0.198 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -44.1 | 177.6 | -74.3 | -48 | 0 | 0 | 0 | 112 | A133 R134 H135 N352 | A133-D354 WeakPolarHBondContact CA-OD2 3.34Å; R134-D354 PolarHBondContact N-OD1 3.37Å; R134-D354 PolarHBondContact N-OD2 2.98Å; H135-D354 VanDerWaalsContact CB-OD1 3.31Å; H135-D354 WeakPolarHBondContact CB-OD1 3.35Å; H135-D354 IonicContact CG-OD1 3.15Å; H135-D354 PolarHBondContact N-OD1 3.1Å; H135-D354 IonicContact ND1-OD1 3.9Å; H135-D354 PolarHBondContact ND1-OD1 3.01Å; N352-D354 VanDerWaalsContact C-N 3.31Å; N352-D354 PolarHBondContact O-N 3.18Å; N352-D354 WeakPolarHBondContact OD1-CB 3.32Å; N352-D354 PolarHBondContact OD1-N 3.37Å |
| 355 | L | 82.9 | Confident | 85.1 | Confident | 73 Ų | 73 | 51.3 Ų | 51.3 | 38% | 0.382 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -32.5 | -172.1 | -66.5 | 176.2 | 0 | 0 | 0 | 113 | Y357 E358 | L355-Y357 HydrophobicContact CB-CD1 4.1Å; L355-Y357 HydrophobicContact CB-CE1 3.68Å; L355-Y357 HydrophobicContact CB-CE2 4.43Å; L355-Y357 HydrophobicContact CD1-CE2 4.44Å; L355-Y357 HydrophobicContact CD2-CE1 4.4Å; L355-Y357 HydrophobicContact CG-CE1 4.47Å; L355-Y357 WeakPolarHBondContact O-CD1 3.49Å; L355-Y357 WeakPolarHBondContact O-CE1 3.41Å; L355-E358 HydrophobicContact CD1-CG 4.38Å; L355-E358 WeakPolarHBondContact CD1-OE2 3.38Å |
| 356 | G | 79.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 83.8 | 2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.9 | S149 F150 T153 N352 | S149-G356 PolarHBondContact OG-O 3.4Å; F150-G356 WeakPolarHBondContact CD1-O 3.44Å; T153-G356 PolarHBondContact OG1-O 2.9Å; N352-G356 WeakPolarHBondContact O-CA 3.33Å; N352-G356 PolarHBondContact O-N 3.26Å |
| 357 | Y | 79 | Confident | 86.4 | Confident | 135 Ų | 135 | 58.4 Ų | 58.4 | 53% | 0.529 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -137.4 | -1.8 | -177.5 | 58.7 | -98.9 | 0 | 0 | 0 | 114.8 | L355 | L355-Y357 HydrophobicContact CB-CD1 4.1Å; L355-Y357 HydrophobicContact CB-CE1 3.68Å; L355-Y357 HydrophobicContact CB-CE2 4.43Å; L355-Y357 HydrophobicContact CD1-CE2 4.44Å; L355-Y357 HydrophobicContact CD2-CE1 4.4Å; L355-Y357 HydrophobicContact CG-CE1 4.47Å; L355-Y357 WeakPolarHBondContact O-CD1 3.49Å; L355-Y357 WeakPolarHBondContact O-CE1 3.41Å |
| 358 | E | 85.5 | Confident | 86.9 | Confident | 88 Ų | 88 | 48.7 Ų | 48.7 | 41% | 0.411 | 25% | 0.248 | S | C | . | . | trans | -109.2 | 168.4 | 177 | -67.1 | -178.9 | 175.1 | 0 | 0 | 111.2 | N352 L355 | N352-E358 HydrophobicContact CB-CB 3.83Å; N352-E358 VanDerWaalsContact CB-O 3.25Å; N352-E358 WeakPolarHBondContact CB-O 3.15Å; N352-E358 PolarHBondContact N-O 3.3Å; N352-E358 PolarHBondContact ND2-OE2 3.33Å; L355-E358 HydrophobicContact CD1-CG 4.38Å; L355-E358 WeakPolarHBondContact CD1-OE2 3.38Å | ||
| 359 | V | 89.3 | Confident | 87.3 | Confident | 54 Ų | 54 | 50.1 Ų | 50.1 | 33% | 0.327 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 147.5 | 175.1 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | S227 I229 I230 I349 I350 | S227-V359 WeakPolarHBondContact OG-CG1 3.49Å; I229-V359 HydrophobicContact CD1-CG1 4.02Å; I230-V359 HydrophobicContact CD1-CG2 4.34Å; I349-V359 HydrophobicContact CG2-CB 3.61Å; I349-V359 HydrophobicContact CG2-CG2 3.84Å; I350-V359 CarbonylContact O-C 3.55Å; I350-V359 VanDerWaalsContact O-CA 3.24Å; I350-V359 WeakPolarHBondContact O-CA 3.29Å |
| 360 | L | 89.3 | Confident | 87.6 | Confident | 32 Ų | 32 | 57.4 Ų | 57.4 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 134 | -175.2 | -61.3 | 170.7 | 0 | 0 | 0 | 110.4 | I349 I350 N352 | I349-L360 CarbonylContact C-O 3.56Å; I349-L360 WeakPolarHBondContact CA-O 3.39Å; I350-L360 HydrophobicContact CG1-CB 4.16Å; I350-L360 WeakPolarHBondContact CG1-O 3.5Å; I350-L360 PolarHBondContact N-O 2.96Å; I350-L360 PolarHBondContact O-N 3.14Å; N352-L360 HydrophobicContact CB-CD1 3.88Å; N352-L360 HydrophobicContact CB-CG 3.99Å |
| 361 | P | 88.9 | Confident | 87.8 | Confident | 80 Ų | 80 | 59.7 Ų | 59.7 | 52% | 0.519 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 144.1 | 172 | 31.5 | -33.5 | 0 | 0 | 0 | 110.9 | I349 N363 | I349-P361 HydrophobicContact CG1-CB 4.42Å; P361-N363 PolarHBondContact O-N 3.3Å |
| 362 | I | 85 | Confident | 88 | Confident | 22 Ų | 22 | 59.6 Ų | 59.6 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | trans | -78.1 | 114.8 | 168.3 | -60.2 | -168 | 0 | 0 | 0 | 108.8 | V129 I343 T348 I350 T364 | V129-I362 HydrophobicContact CB-CD1 4.31Å; V129-I362 HydrophobicContact CG2-CD1 4.23Å; I343-I362 HydrophobicContact CB-CD1 4.3Å; I343-I362 HydrophobicContact CD1-CD1 3.41Å; I343-I362 VanDerWaalsContact CD1-CD1 3.41Å; I343-I362 HydrophobicContact CG1-CD1 3.66Å; I343-I362 HydrophobicContact CG2-CD1 3.7Å; I343-I362 HydrophobicContact CG2-CG2 4.37Å; T348-I362 PolarHBondContact O-N 3.49Å; T348-I362 WeakPolarHBondContact OG1-CD1 3.1Å; I350-I362 HydrophobicContact CD1-CG1 4.44Å; I350-I362 HydrophobicContact CG1-CG1 4.41Å; I350-I362 HydrophobicContact CG2-CD1 3.68Å; I350-I362 HydrophobicContact CG2-CG1 3.88Å; I362-T364 WeakPolarHBondContact CG2-OG1 3.29Å | ||
| 363 | N | 81.3 | Confident | 88.3 | Confident | 102 Ų | 102 | 62 Ų | 62 | 55% | 0.545 | 30% | 0.302 | S | S | . | . | trans | -121.4 | 22.5 | 179.9 | -167.6 | 41.3 | 0 | 0 | 0 | 112.7 | R257 P361 | R257-N363 PolarHBondContact NH1-OD1 3.42Å; P361-N363 PolarHBondContact O-N 3.3Å | ||
| 364 | T | 84 | Confident | 88.7 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 9% | 0.086 | 32% | 0.323 | C | S | . | . | trans | -78 | 146.8 | 175.8 | 51.1 | 0 | 0 | 0 | 0 | 111 | Y131 I362 Y366 | Y131-T364 HydrophobicContact CD1-CG2 4.47Å; Y131-T364 HydrophobicContact CD2-CG2 3.88Å; Y131-T364 HydrophobicContact CG-CG2 3.71Å; I362-T364 WeakPolarHBondContact CG2-OG1 3.29Å; T364-Y366 HydrophobicContact CG2-CE2 4.27Å; T364-Y366 WeakPolarHBondContact CG2-OH 3.3Å | ||
| 365 | Q | 86.6 | Confident | 89.1 | Confident | 118 Ų | 118 | 65.3 Ų | 65.3 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | trans | -143.4 | 118.4 | 175.4 | -178.1 | 175.4 | -10.7 | 0 | 0 | 108.3 | ||||
| 366 | Y | 90.3 | Very high | 89.7 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 2% | 0.024 | 30% | 0.302 | C | S | . | . | trans | -123.3 | 133.8 | -179.3 | -53.1 | -67.6 | 0 | 0 | 0 | 109.2 | R340 L341 Q344 T364 G368 D371 C372 T375 | R340-Y366 HydrophobicContact CB-CE2 3.86Å; R340-Y366 PolarHBondContact NH1-OH 3.12Å; L341-Y366 HydrophobicContact CD2-CD2 4.39Å; Q344-Y366 HydrophobicContact CB-CD2 4.5Å; Q344-Y366 PolarHBondContact OE1-O 3.46Å; T364-Y366 HydrophobicContact CG2-CE2 4.27Å; T364-Y366 WeakPolarHBondContact CG2-OH 3.3Å; Y366-G368 PolarHBondContact O-N 2.93Å; Y366-D371 WeakPolarHBondContact CA-OD2 3.39Å; Y366-C372 VanDerWaalsContact CD1-CA 3.44Å; Y366-C372 HydrophobicContact CD1-CB 3.73Å; Y366-C372 HydrophobicContact CD2-CB 4.15Å; Y366-C372 HydrophobicContact CE1-CB 4.17Å; Y366-C372 HydrophobicContact CG-CB 3.7Å; Y366-T375 HydrophobicContact CE1-CG2 3.86Å | ||
| 367 | E | 88.4 | Confident | 90.5 | Very high | 172 Ų | 172 | 68 Ų | 68 | 80% | 0.804 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -69.7 | -23.2 | 175.2 | -63.8 | -171.1 | 164.7 | 0 | 0 | 112.1 | D371 | E367-D371 HydrophobicContact CB-CB 4.17Å; E367-D371 PolarHBondContact N-OD2 3.46Å |
| 368 | G | 90.7 | Very high | 91.3 | Very high | 13 Ų | 13 | 69.1 Ų | 69.1 | 13% | 0.134 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 174 | -169.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y366 R370 D371 C372 | Y366-G368 PolarHBondContact O-N 2.93Å; G368-R370 PolarHBondContact O-N 3.01Å; G368-D371 PolarHBondContact O-N 2.91Å; G368-C372 WeakPolarHBondContact O-CB 3.37Å; G368-C372 PolarHBondContact O-N 3.17Å |
| 369 | M | 94.2 | Very high | 91.7 | Very high | 37 Ų | 37 | 70.4 Ų | 70.4 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | -175.9 | -170.2 | -177.2 | 75.9 | 0 | 0 | 113.4 | F266 P267 L270 L334 V337 L341 C372 I373 | F266-M369 HydrophobicContact CD1-CE 4.48Å; F266-M369 HydrophobicContact CE1-CE 3.69Å; F266-M369 HydrophobicContact CE1-SD 4.27Å; P267-M369 HydrophobicContact CB-SD 3.98Å; L270-M369 HydrophobicContact CD2-CE 4.25Å; L270-M369 HydrophobicContact CD2-SD 4.32Å; L334-M369 HydrophobicContact CD1-SD 4.13Å; V337-M369 HydrophobicContact CG1-CG 3.65Å; L341-M369 HydrophobicContact CD1-CB 3.86Å; L341-M369 HydrophobicContact CD1-CG 4.1Å; M369-C372 PolarHBondContact O-N 3.41Å; M369-I373 HydrophobicContact CG-CD1 4.1Å; M369-I373 WeakPolarHBondContact O-CD1 3.36Å; M369-I373 VanDerWaalsContact O-CG1 3.26Å; M369-I373 WeakPolarHBondContact O-CG1 2.82Å; M369-I373 PolarHBondContact O-N 3.27Å |
| 370 | R | 95.4 | Very high | 91.9 | Very high | 207 Ų | 207 | 68.7 Ų | 68.7 | 78% | 0.781 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -66.1 | -42 | 179.5 | -67.7 | -177.7 | 179.8 | 176.5 | 0.1 | 112 | G368 I373 N374 | G368-R370 PolarHBondContact O-N 3.01Å; R370-I373 PolarHBondContact O-N 3.31Å; R370-N374 VanDerWaalsContact O-CG 3.32Å; R370-N374 PolarHBondContact O-N 2.96Å; R370-N374 PolarHBondContact O-ND2 2.81Å |
| 371 | D | 95.7 | Very high | 92.1 | Very high | 51 Ų | 51 | 68.4 Ų | 68.4 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.2 | -50.1 | 176.1 | -175.5 | 41.9 | 0 | 0 | 0 | 110.1 | Y366 E367 G368 I373 N374 T375 | Y366-D371 WeakPolarHBondContact CA-OD2 3.39Å; E367-D371 HydrophobicContact CB-CB 4.17Å; E367-D371 PolarHBondContact N-OD2 3.46Å; G368-D371 PolarHBondContact O-N 2.91Å; D371-I373 VanDerWaalsContact C-N 3.32Å; D371-I373 PolarHBondContact O-N 3.32Å; D371-N374 WeakPolarHBondContact O-CA 3.32Å; D371-N374 WeakPolarHBondContact O-CB 3.1Å; D371-N374 PolarHBondContact O-N 2.7Å; D371-T375 PolarHBondContact O-N 2.93Å; D371-T375 PolarHBondContact O-OG1 3.14Å |
| 372 | C | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -53.6 | -44.5 | 175.1 | -171.1 | 0 | 0 | 0 | 0 | 113.4 | V337 L341 Y366 G368 M369 T375 I376 | V337-C372 HydrophobicContact CG1-CB 4.1Å; L341-C372 HydrophobicContact CD2-CB 3.96Å; L341-C372 HydrophobicContact CG-CB 4.42Å; Y366-C372 VanDerWaalsContact CD1-CA 3.44Å; Y366-C372 HydrophobicContact CD1-CB 3.73Å; Y366-C372 HydrophobicContact CD2-CB 4.15Å; Y366-C372 HydrophobicContact CE1-CB 4.17Å; Y366-C372 HydrophobicContact CG-CB 3.7Å; G368-C372 WeakPolarHBondContact O-CB 3.37Å; G368-C372 PolarHBondContact O-N 3.17Å; M369-C372 PolarHBondContact O-N 3.41Å; C372-T375 PolarHBondContact O-N 3.17Å; C372-I376 VanDerWaalsContact O-CG1 3.26Å; C372-I376 WeakPolarHBondContact O-CG1 3.37Å; C372-I376 PolarHBondContact O-N 3.47Å |
| 373 | I | 97.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 74.6 Ų | 74.6 | 30% | 0.303 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 175.5 | -70.1 | 163.1 | 0 | 0 | 0 | 111.1 | V337 M369 R370 D371 K377 F385 | V337-I373 HydrophobicContact CG1-CG1 4.23Å; V337-I373 HydrophobicContact CG2-CG1 3.73Å; M369-I373 HydrophobicContact CG-CD1 4.1Å; M369-I373 WeakPolarHBondContact O-CD1 3.36Å; M369-I373 VanDerWaalsContact O-CG1 3.26Å; M369-I373 WeakPolarHBondContact O-CG1 2.82Å; M369-I373 PolarHBondContact O-N 3.27Å; R370-I373 PolarHBondContact O-N 3.31Å; D371-I373 VanDerWaalsContact C-N 3.32Å; D371-I373 PolarHBondContact O-N 3.32Å; I373-K377 WeakPolarHBondContact O-CB 3.35Å; I373-K377 PolarHBondContact O-N 3.06Å; I373-F385 HydrophobicContact CG1-CE1 4.45Å; I373-F385 HydrophobicContact CG2-CE1 4.45Å; I373-F385 HydrophobicContact CG2-CZ 4.05Å; I373-F385 WeakPolarHBondContact O-CZ 3.35Å |
| 374 | N | 96.9 | Very high | 93.5 | Very high | 83 Ų | 83 | 69.7 Ų | 69.7 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | -179.6 | -72.6 | -22.4 | 0 | 0 | 0 | 111.5 | R370 D371 K377 Q378 | R370-N374 VanDerWaalsContact O-CG 3.32Å; R370-N374 PolarHBondContact O-N 2.96Å; R370-N374 PolarHBondContact O-ND2 2.81Å; D371-N374 WeakPolarHBondContact O-CA 3.32Å; D371-N374 WeakPolarHBondContact O-CB 3.1Å; D371-N374 PolarHBondContact O-N 2.7Å; N374-K377 PolarHBondContact O-N 3Å; N374-Q378 WeakPolarHBondContact O-CB 3.49Å; N374-Q378 VanDerWaalsContact O-CG 3.28Å; N374-Q378 WeakPolarHBondContact O-CG 3.15Å; N374-Q378 PolarHBondContact O-N 3.01Å |
| 375 | T | 95.8 | Very high | 94.1 | Very high | 24 Ų | 24 | 70.1 Ų | 70.1 | 15% | 0.147 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.4 | -49.5 | 177 | -49.1 | 0 | 0 | 0 | 0 | 111.2 | Y366 D371 C372 K377 Q378 E379 | Y366-T375 HydrophobicContact CE1-CG2 3.86Å; D371-T375 PolarHBondContact O-N 2.93Å; D371-T375 PolarHBondContact O-OG1 3.14Å; C372-T375 PolarHBondContact O-N 3.17Å; T375-K377 VanDerWaalsContact C-N 3.31Å; T375-K377 PolarHBondContact O-N 3.11Å; T375-Q378 PolarHBondContact O-N 2.96Å; T375-E379 HydrophobicContact CG2-CG 4.25Å; T375-E379 WeakPolarHBondContact CG2-OE2 3.46Å; T375-E379 WeakPolarHBondContact O-CB 3.48Å; T375-E379 PolarHBondContact O-N 2.9Å |
| 376 | I | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -58.5 | -46.6 | 177.1 | -65.8 | 165.8 | 0 | 0 | 0 | 110.1 | V337 C372 Q378 E380 G381 F385 | V337-I376 HydrophobicContact CG2-CD1 3.94Å; C372-I376 VanDerWaalsContact O-CG1 3.26Å; C372-I376 WeakPolarHBondContact O-CG1 3.37Å; C372-I376 PolarHBondContact O-N 3.47Å; I376-Q378 VanDerWaalsContact C-N 3.33Å; I376-Q378 PolarHBondContact O-N 3.16Å; I376-E380 HydrophobicContact CG2-CB 4.41Å; I376-E380 CarbonylContact O-C 3.48Å; I376-E380 WeakPolarHBondContact O-CA 3.28Å; I376-E380 WeakPolarHBondContact O-CB 3.47Å; I376-E380 PolarHBondContact O-N 3.27Å; I376-G381 PolarHBondContact O-N 3.44Å; I376-F385 HydrophobicContact CB-CE1 3.97Å; I376-F385 HydrophobicContact CB-CE2 4.15Å; I376-F385 HydrophobicContact CB-CZ 3.76Å; I376-F385 HydrophobicContact CD1-CD1 4.15Å; I376-F385 HydrophobicContact CD1-CE1 3.85Å; I376-F385 HydrophobicContact CD1-CZ 4.49Å; I376-F385 HydrophobicContact CG2-CD1 3.95Å; I376-F385 HydrophobicContact CG2-CD2 3.71Å; I376-F385 HydrophobicContact CG2-CE1 3.84Å; I376-F385 HydrophobicContact CG2-CE2 3.59Å; I376-F385 HydrophobicContact CG2-CG 3.89Å; I376-F385 HydrophobicContact CG2-CZ 3.65Å |
| 377 | K | 96.4 | Very high | 94.8 | Very high | 132 Ų | 132 | 68 Ų | 68 | 57% | 0.574 | 33% | 0.326 | S | S | * | . | I | π-helix | trans | -63 | -37.9 | -179 | -175.4 | 179.9 | 176.2 | -176.6 | 0 | 112.8 | I373 N374 T375 G381 F385 | I373-K377 WeakPolarHBondContact O-CB 3.35Å; I373-K377 PolarHBondContact O-N 3.06Å; N374-K377 PolarHBondContact O-N 3Å; T375-K377 VanDerWaalsContact C-N 3.31Å; T375-K377 PolarHBondContact O-N 3.11Å; K377-G381 WeakPolarHBondContact O-CA 3.36Å; K377-F385 HydrophobicContact CB-CE2 4.29Å |
| 378 | Q | 95.8 | Very high | 95.1 | Very high | 158 Ų | 158 | 59.8 Ų | 59.8 | 74% | 0.738 | 29% | 0.288 | S | S | * | . | I | π-helix | trans | -83.4 | -41.3 | -175.8 | -71.1 | 178.3 | 10.6 | 0 | 0 | 112.8 | N374 T375 I376 | N374-Q378 WeakPolarHBondContact O-CB 3.49Å; N374-Q378 VanDerWaalsContact O-CG 3.28Å; N374-Q378 WeakPolarHBondContact O-CG 3.15Å; N374-Q378 PolarHBondContact O-N 3.01Å; T375-Q378 PolarHBondContact O-N 2.96Å; I376-Q378 VanDerWaalsContact C-N 3.33Å; I376-Q378 PolarHBondContact O-N 3.16Å |
| 379 | E | 94 | Very high | 95.4 | Very high | 115 Ų | 115 | 61.3 Ų | 61.3 | 54% | 0.537 | 29% | 0.291 | S | S | . | . | I | π-helix | trans | -95.9 | -32.3 | -171.8 | -61.1 | -178.3 | 159.7 | 0 | 0 | 113 | Y131 T375 | Y131-E379 VanDerWaalsContact CE2-OE2 3.22Å; Y131-E379 WeakPolarHBondContact CE2-OE2 3.13Å; Y131-E379 PolarHBondContact OH-OE2 3.32Å; T375-E379 HydrophobicContact CG2-CG 4.25Å; T375-E379 WeakPolarHBondContact CG2-OE2 3.46Å; T375-E379 WeakPolarHBondContact O-CB 3.48Å; T375-E379 PolarHBondContact O-N 2.9Å |
| 380 | E | 93.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -113.4 | -13.8 | -176.6 | -56.3 | 176.8 | -144.3 | 0 | 0 | 112.9 | Y131 Y136 R340 I376 K387 | Y131-E380 VanDerWaalsContact CD2-OE1 3.3Å; Y131-E380 WeakPolarHBondContact CD2-OE1 3.41Å; Y136-E380 PolarHBondContact OH-O 3.19Å; R340-E380 IonicContact CZ-OE1 3.24Å; R340-E380 VanDerWaalsContact CZ-OE1 3.24Å; R340-E380 IonicContact CZ-OE2 3.68Å; R340-E380 IonicContact NH1-OE1 2.63Å; R340-E380 PolarHBondContact NH1-OE1 2.93Å; R340-E380 IonicContact NH1-OE2 3.83Å; R340-E380 VanDerWaalsContact NH2-CD 3.31Å; R340-E380 IonicContact NH2-OE1 3.25Å; R340-E380 PolarHBondContact NH2-OE1 3.03Å; R340-E380 IonicContact NH2-OE2 3.46Å; R340-E380 PolarHBondContact NH2-OE2 2.92Å; I376-E380 HydrophobicContact CG2-CB 4.41Å; I376-E380 CarbonylContact O-C 3.48Å; I376-E380 WeakPolarHBondContact O-CA 3.28Å; I376-E380 WeakPolarHBondContact O-CB 3.47Å; I376-E380 PolarHBondContact O-N 3.27Å; E380-K387 IonicContact OE1-NZ 3.37Å; E380-K387 WeakPolarHBondContact OE2-CE 3.42Å; E380-K387 IonicContact OE2-NZ 3.08Å; E380-K387 PolarHBondContact OE2-NZ 3.32Å |
| 381 | G | 94.1 | Very high | 95.5 | Very high | 27 Ų | 27 | 49.7 Ų | 49.7 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | trans | 72.2 | -177.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I376 K377 F383 G384 | I376-G381 PolarHBondContact O-N 3.44Å; K377-G381 WeakPolarHBondContact O-CA 3.36Å; G381-F383 VanDerWaalsContact C-N 3.26Å; G381-F383 PolarHBondContact O-N 3.05Å; G381-G384 PolarHBondContact O-N 3.41Å | ||
| 382 | V | 93.8 | Very high | 95.5 | Very high | 95 Ų | 95 | 47.4 Ų | 47.4 | 58% | 0.576 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -63.4 | -31.6 | -173 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | G384 F385 | V382-G384 VanDerWaalsContact C-N 3.25Å; V382-G384 PolarHBondContact O-N 3.21Å; V382-F385 WeakPolarHBondContact O-CD2 3.48Å; V382-F385 PolarHBondContact O-N 3.15Å |
| 383 | F | 94.8 | Very high | 95.5 | Very high | 136 Ų | 136 | 50.3 Ų | 50.3 | 60% | 0.596 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -74.8 | -14.7 | 177.6 | -63.2 | -69.2 | 0 | 0 | 0 | 113.4 | Y136 L138 G381 F385 Y386 | Y136-F383 HydrophobicContact CD2-CB 3.64Å; Y136-F383 HydrophobicContact CE2-CB 3.83Å; L138-F383 HydrophobicContact CD1-CB 4.41Å; L138-F383 HydrophobicContact CD1-CD1 3.99Å; L138-F383 HydrophobicContact CD1-CG 4.38Å; G381-F383 VanDerWaalsContact C-N 3.26Å; G381-F383 PolarHBondContact O-N 3.05Å; F383-F385 PolarHBondContact O-N 3.32Å; F383-Y386 PolarHBondContact O-N 3.38Å |
| 384 | G | 94.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -59 | -30.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G381 V382 Y386 K387 | G381-G384 PolarHBondContact O-N 3.41Å; V382-G384 VanDerWaalsContact C-N 3.25Å; V382-G384 PolarHBondContact O-N 3.21Å; G384-Y386 PolarHBondContact O-N 2.96Å; G384-K387 WeakPolarHBondContact O-CG 3.44Å |
| 385 | F | 96.4 | Very high | 95.3 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 10% | 0.101 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -67.3 | -23.2 | 174.1 | -68.3 | -78.2 | 0 | 0 | 0 | 113.7 | Y332 P333 T336 V337 I373 I376 K377 V382 F383 | Y332-F385 WeakPolarHBondContact CD1-O 3.48Å; Y332-F385 VanDerWaalsContact CE1-O 3.31Å; Y332-F385 WeakPolarHBondContact CE1-O 3.26Å; P333-F385 HydrophobicContact CB-CB 3.93Å; P333-F385 HydrophobicContact CB-CD1 4.02Å; P333-F385 HydrophobicContact CB-CG 4.18Å; P333-F385 HydrophobicContact CG-CB 4.42Å; T336-F385 WeakPolarHBondContact CB-O 3.18Å; T336-F385 PolarHBondContact OG1-O 2.88Å; V337-F385 HydrophobicContact CG2-CD1 4.15Å; V337-F385 HydrophobicContact CG2-CE1 3.8Å; I373-F385 HydrophobicContact CG1-CE1 4.45Å; I373-F385 HydrophobicContact CG2-CE1 4.45Å; I373-F385 HydrophobicContact CG2-CZ 4.05Å; I373-F385 WeakPolarHBondContact O-CZ 3.35Å; I376-F385 HydrophobicContact CB-CE1 3.97Å; I376-F385 HydrophobicContact CB-CE2 4.15Å; I376-F385 HydrophobicContact CB-CZ 3.76Å; I376-F385 HydrophobicContact CD1-CD1 4.15Å; I376-F385 HydrophobicContact CD1-CE1 3.85Å; I376-F385 HydrophobicContact CD1-CZ 4.49Å; I376-F385 HydrophobicContact CG2-CD1 3.95Å; I376-F385 HydrophobicContact CG2-CD2 3.71Å; I376-F385 HydrophobicContact CG2-CE1 3.84Å; I376-F385 HydrophobicContact CG2-CE2 3.59Å; I376-F385 HydrophobicContact CG2-CG 3.89Å; I376-F385 HydrophobicContact CG2-CZ 3.65Å; K377-F385 HydrophobicContact CB-CE2 4.29Å; V382-F385 WeakPolarHBondContact O-CD2 3.48Å; V382-F385 PolarHBondContact O-N 3.15Å; F383-F385 PolarHBondContact O-N 3.32Å |
| 386 | Y | 96.4 | Very high | 95.2 | Very high | 77 Ų | 77 | 45.9 Ų | 45.9 | 30% | 0.302 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -106.4 | 15.8 | -173.5 | -66.1 | -86 | 0 | 0 | 0 | 113.1 | L138 Y332 P333 F383 G384 G388 F389 | L138-Y386 WeakPolarHBondContact CD2-O 3.45Å; Y332-Y386 AromaticContact CD1-CD1 3.92Å; Y332-Y386 HydrophobicContact CD1-CD1 3.92Å; Y332-Y386 HydrophobicContact CD1-CG 4.46Å; Y332-Y386 VanDerWaalsContact CE1-CA 3.5Å; Y332-Y386 HydrophobicContact CG-CD1 4.23Å; P333-Y386 HydrophobicContact CG-CE1 4.06Å; P333-Y386 HydrophobicContact CG-CE2 4.12Å; P333-Y386 WeakPolarHBondContact CG-OH 3.26Å; F383-Y386 PolarHBondContact O-N 3.38Å; G384-Y386 PolarHBondContact O-N 2.96Å; Y386-G388 PolarHBondContact O-N 2.92Å; Y386-G388 VanDerWaalsContact O-N 3.16Å; Y386-F389 HydrophobicContact CD1-CD2 4.05Å; Y386-F389 HydrophobicContact CD1-CE2 4.49Å; Y386-F389 VanDerWaalsContact O-CB 3.27Å; Y386-F389 WeakPolarHBondContact O-CB 3.31Å; Y386-F389 PolarHBondContact O-N 2.92Å |
| 387 | K | 95.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 120.1 | 177.7 | -78.2 | 176.7 | 168.9 | -177 | 0 | 111.4 | C127 Q128 N130 Y131 A133 Y136 Y332 E380 G384 | C127-K387 HydrophobicContact CB-CB 4.39Å; C127-K387 WeakPolarHBondContact O-CB 3.09Å; Q128-K387 VanDerWaalsContact CG-O 3.24Å; Q128-K387 WeakPolarHBondContact CG-O 3.41Å; N130-K387 PolarHBondContact O-NZ 3.04Å; Y131-K387 PolarHBondContact O-NZ 3.32Å; Y131-K387 VanDerWaalsContact O-NZ 3.14Å; A133-K387 HydrophobicContact CB-CD 4.45Å; Y136-K387 HydrophobicContact CD1-CD 4.16Å; Y136-K387 HydrophobicContact CD1-CG 3.77Å; Y136-K387 HydrophobicContact CD2-CG 4.47Å; Y136-K387 HydrophobicContact CE1-CD 4.43Å; Y136-K387 HydrophobicContact CE1-CG 4.41Å; Y136-K387 HydrophobicContact CG-CG 3.82Å; Y136-K387 CarbonylContact O-C 3.49Å; Y136-K387 WeakPolarHBondContact O-CA 3.36Å; Y332-K387 PolarHBondContact OH-O 3.39Å; E380-K387 IonicContact OE1-NZ 3.37Å; E380-K387 WeakPolarHBondContact OE2-CE 3.42Å; E380-K387 IonicContact OE2-NZ 3.08Å; E380-K387 PolarHBondContact OE2-NZ 3.32Å; G384-K387 WeakPolarHBondContact O-CG 3.44Å |
| 388 | G | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 11.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | C127 Y136 Y332 Y386 G390 A391 | C127-G388 VanDerWaalsContact CB-CA 3.46Å; Y136-G388 PolarHBondContact O-N 2.91Å; Y332-G388 PolarHBondContact OH-O 2.77Å; Y386-G388 PolarHBondContact O-N 2.92Å; Y386-G388 VanDerWaalsContact O-N 3.16Å; G388-G390 PolarHBondContact O-N 3.04Å; G388-A391 WeakPolarHBondContact O-CB 3.41Å; G388-A391 PolarHBondContact O-N 2.98Å |
| 389 | F | 96.6 | Very high | 94.5 | Very high | 46 Ų | 46 | 40 Ų | 40 | 20% | 0.202 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.7 | -29.4 | 179.3 | -167.5 | -97.2 | 0 | 0 | 0 | 112.9 | L138 V329 Y332 Y386 A391 V392 I393 | L138-F389 HydrophobicContact CD2-CB 4.43Å; V329-F389 HydrophobicContact CG1-CE2 4.42Å; V329-F389 HydrophobicContact CG1-CZ 4.34Å; V329-F389 HydrophobicContact CG2-CE2 4.16Å; V329-F389 HydrophobicContact CG2-CZ 4.01Å; Y332-F389 AromaticContact CD2-CD2 3.69Å; Y332-F389 HydrophobicContact CD2-CD2 3.69Å; Y332-F389 HydrophobicContact CD2-CE2 4.13Å; Y332-F389 HydrophobicContact CE2-CB 4.49Å; Y332-F389 AromaticContact CE2-CD2 3.78Å; Y332-F389 HydrophobicContact CE2-CD2 3.78Å; Y332-F389 HydrophobicContact CG-CD2 4.1Å; Y332-F389 PolarHBondContact OH-N 3.1Å; Y332-F389 VanDerWaalsContact OH-N 3.16Å; Y386-F389 HydrophobicContact CD1-CD2 4.05Å; Y386-F389 HydrophobicContact CD1-CE2 4.49Å; Y386-F389 VanDerWaalsContact O-CB 3.27Å; Y386-F389 WeakPolarHBondContact O-CB 3.31Å; Y386-F389 PolarHBondContact O-N 2.92Å; F389-A391 PolarHBondContact O-N 2.85Å; F389-V392 WeakPolarHBondContact O-CB 3.42Å; F389-V392 PolarHBondContact O-N 3.47Å; F389-I393 HydrophobicContact CD1-CD1 3.93Å; F389-I393 HydrophobicContact CD1-CG1 4.12Å; F389-I393 HydrophobicContact CE1-CD1 4Å; F389-I393 HydrophobicContact CE1-CG1 3.98Å; F389-I393 PolarHBondContact O-N 3.17Å |
| 390 | G | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.2 | -30.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | H137 L138 G388 I393 I394 | H137-G390 WeakPolarHBondContact O-CA 3.22Å; H137-G390 PolarHBondContact O-N 3.22Å; L138-G390 PolarHBondContact O-N 3.37Å; G388-G390 PolarHBondContact O-N 3.04Å; G390-I393 PolarHBondContact O-N 3.28Å; G390-I394 WeakPolarHBondContact O-CG1 3.49Å; G390-I394 PolarHBondContact O-N 3.48Å; G390-I394 VanDerWaalsContact O-N 3.12Å |
| 391 | A | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.6 | -33.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C120 R124 V143 G388 F389 I394 Q395 | C120-A391 HydrophobicContact CB-CB 4.44Å; R124-A391 HydrophobicContact CB-CB 3.98Å; V143-A391 HydrophobicContact CG1-CB 3.91Å; G388-A391 WeakPolarHBondContact O-CB 3.41Å; G388-A391 PolarHBondContact O-N 2.98Å; F389-A391 PolarHBondContact O-N 2.85Å; A391-I394 PolarHBondContact O-N 3.1Å; A391-Q395 VanDerWaalsContact O-CB 3.28Å; A391-Q395 WeakPolarHBondContact O-CB 3.26Å; A391-Q395 PolarHBondContact O-N 3.19Å |
| 392 | V | 94.7 | Very high | 94 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 172.9 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | R124 Y332 F389 I394 Q395 Y396 | R124-V392 HydrophobicContact CG-CG2 4.32Å; Y332-V392 HydrophobicContact CD2-CG2 4.18Å; Y332-V392 HydrophobicContact CE2-CG2 3.59Å; F389-V392 WeakPolarHBondContact O-CB 3.42Å; F389-V392 PolarHBondContact O-N 3.47Å; V392-I394 VanDerWaalsContact C-N 3.34Å; V392-I394 PolarHBondContact O-N 3.45Å; V392-Q395 PolarHBondContact O-N 3.15Å; V392-Y396 HydrophobicContact CG1-CD2 3.64Å; V392-Y396 HydrophobicContact CG1-CE2 3.89Å; V392-Y396 WeakPolarHBondContact O-CD2 3.47Å; V392-Y396 PolarHBondContact O-N 3.23Å |
| 393 | I | 96.3 | Very high | 93.5 | Very high | 61 Ų | 61 | 34.1 Ų | 34.1 | 31% | 0.313 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 176 | -61.4 | 172 | 0 | 0 | 0 | 110.1 | P140 F389 G390 T397 | P140-I393 HydrophobicContact CB-CG2 4.36Å; P140-I393 HydrophobicContact CG-CG2 4.22Å; F389-I393 HydrophobicContact CD1-CD1 3.93Å; F389-I393 HydrophobicContact CD1-CG1 4.12Å; F389-I393 HydrophobicContact CE1-CD1 4Å; F389-I393 HydrophobicContact CE1-CG1 3.98Å; F389-I393 PolarHBondContact O-N 3.17Å; G390-I393 PolarHBondContact O-N 3.28Å; I393-T397 WeakPolarHBondContact O-CB 3.42Å; I393-T397 PolarHBondContact O-N 3.08Å; I393-T397 PolarHBondContact O-OG1 3.41Å |
| 394 | I | 95.3 | Very high | 93.1 | Very high | 33 Ų | 33 | 32.9 Ų | 32.9 | 17% | 0.169 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.3 | -48.3 | 177.6 | -62.6 | 169.8 | 0 | 0 | 0 | 110.7 | P140 V143 I144 G390 A391 V392 Y396 T397 L398 | P140-I394 HydrophobicContact CB-CD1 4.03Å; P140-I394 HydrophobicContact CB-CG1 3.55Å; V143-I394 HydrophobicContact CB-CD1 3.88Å; V143-I394 HydrophobicContact CG1-CD1 3.74Å; I144-I394 HydrophobicContact CD1-CD1 4.3Å; I144-I394 HydrophobicContact CG1-CD1 3.7Å; G390-I394 WeakPolarHBondContact O-CG1 3.49Å; G390-I394 PolarHBondContact O-N 3.48Å; G390-I394 VanDerWaalsContact O-N 3.12Å; A391-I394 PolarHBondContact O-N 3.1Å; V392-I394 VanDerWaalsContact C-N 3.34Å; V392-I394 PolarHBondContact O-N 3.45Å; I394-Y396 PolarHBondContact O-N 2.94Å; I394-T397 PolarHBondContact O-N 3.25Å; I394-L398 WeakPolarHBondContact O-CB 3.29Å; I394-L398 PolarHBondContact O-N 3.22Å |
| 395 | Q | 93.9 | Very high | 92.8 | Very high | 23 Ų | 23 | 37.3 Ų | 37.3 | 11% | 0.107 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -52.7 | -54.6 | 179.7 | 172.8 | 177 | -12.4 | 0 | 0 | 111.8 | A117 C120 A391 V392 L398 H399 | A117-Q395 HydrophobicContact CB-CG 3.84Å; C120-Q395 HydrophobicContact CB-CB 3.76Å; A391-Q395 VanDerWaalsContact O-CB 3.28Å; A391-Q395 WeakPolarHBondContact O-CB 3.26Å; A391-Q395 PolarHBondContact O-N 3.19Å; V392-Q395 PolarHBondContact O-N 3.15Å; Q395-L398 PolarHBondContact O-N 3.18Å; Q395-H399 PolarHBondContact O-N 3.4Å |
| 396 | Y | 93.4 | Very high | 92.1 | Very high | 16 Ų | 16 | 37.5 Ų | 37.5 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -76.2 | -26.5 | -176.6 | -78.7 | -83.9 | 0 | 0 | 0 | 112.8 | F321 S324 L325 D328 V392 I394 A400 | F321-Y396 HydrophobicContact CD2-CD1 4.17Å; F321-Y396 AromaticContact CE2-CD1 3.66Å; F321-Y396 HydrophobicContact CE2-CD1 3.66Å; F321-Y396 HydrophobicContact CE2-CG 4.5Å; F321-Y396 HydrophobicContact CZ-CD1 4.16Å; S324-Y396 PolarHBondContact O-OH 3.07Å; L325-Y396 VanDerWaalsContact CA-CE1 3.5Å; L325-Y396 HydrophobicContact CB-CD1 3.75Å; L325-Y396 HydrophobicContact CB-CE1 3.7Å; L325-Y396 HydrophobicContact CB-CG 4.33Å; L325-Y396 HydrophobicContact CD1-CD1 3.95Å; L325-Y396 HydrophobicContact CD1-CD2 3.77Å; L325-Y396 HydrophobicContact CD1-CE1 4.4Å; L325-Y396 HydrophobicContact CD1-CE2 4.23Å; L325-Y396 HydrophobicContact CD1-CG 3.62Å; L325-Y396 HydrophobicContact CG-CD1 4.34Å; L325-Y396 HydrophobicContact CG-CG 4.47Å; D328-Y396 HydrophobicContact CB-CE2 4.34Å; D328-Y396 VanDerWaalsContact CG-OH 3.26Å; D328-Y396 WeakPolarHBondContact OD2-CE2 3.31Å; D328-Y396 PolarHBondContact OD2-OH 2.89Å; V392-Y396 HydrophobicContact CG1-CD2 3.64Å; V392-Y396 HydrophobicContact CG1-CE2 3.89Å; V392-Y396 WeakPolarHBondContact O-CD2 3.47Å; V392-Y396 PolarHBondContact O-N 3.23Å; I394-Y396 PolarHBondContact O-N 2.94Å; Y396-A400 VanDerWaalsContact O-CB 3.29Å; Y396-A400 WeakPolarHBondContact O-CB 3.3Å; Y396-A400 PolarHBondContact O-N 2.87Å |
| 397 | T | 94.1 | Very high | 91.4 | Very high | 88 Ų | 88 | 38.2 Ų | 38.2 | 54% | 0.54 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.8 | -43.8 | 170.1 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | I393 I394 A400 A401 | I393-T397 WeakPolarHBondContact O-CB 3.42Å; I393-T397 PolarHBondContact O-N 3.08Å; I393-T397 PolarHBondContact O-OG1 3.41Å; I394-T397 PolarHBondContact O-N 3.25Å; T397-A400 PolarHBondContact O-N 3.29Å; T397-A401 WeakPolarHBondContact O-CB 3.49Å; T397-A401 PolarHBondContact O-N 3.37Å |
| 398 | L | 91.2 | Very high | 90.9 | Very high | 66 Ų | 66 | 42.9 Ų | 42.9 | 35% | 0.346 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.8 | -46 | 175.8 | 178.7 | 62.2 | 0 | 0 | 0 | 110.9 | L116 I394 Q395 A401 I402 | L116-L398 HydrophobicContact CB-CD2 4.14Å; I394-L398 WeakPolarHBondContact O-CB 3.29Å; I394-L398 PolarHBondContact O-N 3.22Å; Q395-L398 PolarHBondContact O-N 3.18Å; L398-A401 PolarHBondContact O-N 3.33Å; L398-I402 HydrophobicContact CD1-CD1 3.94Å; L398-I402 HydrophobicContact CD1-CG1 4.46Å; L398-I402 HydrophobicContact CG-CD1 3.97Å; L398-I402 WeakPolarHBondContact O-CG1 3.35Å; L398-I402 PolarHBondContact O-N 3Å |
| 399 | H | 88.7 | Confident | 90.4 | Very high | 12 Ų | 12 | 47.3 Ų | 47.3 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 177.5 | -168.6 | -176.8 | 0 | 0 | 0 | 111.7 | T112 E113 F321 Q395 A401 I402 L403 | T112-H399 HydrophobicContact CG2-CB 4.08Å; E113-H399 VanDerWaalsContact CG-CE1 3.49Å; E113-H399 WeakPolarHBondContact CG-CE1 3.02Å; E113-H399 IonicContact OE1-CE1 2.73Å; E113-H399 PolarHBondContact OE1-CE1 2.96Å; E113-H399 IonicContact OE1-NE2 3.6Å; F321-H399 HydrophobicContact CD2-CB 4.43Å; F321-H399 AromaticContact CD2-CG 3.99Å; F321-H399 AromaticContact CD2-ND1 3.74Å; F321-H399 HydrophobicContact CE2-CB 4.14Å; Q395-H399 PolarHBondContact O-N 3.4Å; H399-A401 PolarHBondContact O-N 3.18Å; H399-I402 PolarHBondContact O-N 3.32Å; H399-L403 WeakPolarHBondContact O-CG 3.34Å; H399-L403 PolarHBondContact O-N 3.42Å |
| 400 | A | 90.8 | Very high | 89.4 | Confident | 33 Ų | 33 | 46.4 Ų | 46.4 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F321 Y396 T397 I402 L403 Q404 | F321-A400 HydrophobicContact CE2-CB 4.1Å; F321-A400 HydrophobicContact CZ-CB 3.87Å; Y396-A400 VanDerWaalsContact O-CB 3.29Å; Y396-A400 WeakPolarHBondContact O-CB 3.3Å; Y396-A400 PolarHBondContact O-N 2.87Å; T397-A400 PolarHBondContact O-N 3.29Å; A400-I402 PolarHBondContact O-N 3.23Å; A400-L403 PolarHBondContact O-N 3.48Å; A400-Q404 WeakPolarHBondContact O-CG 3.41Å; A400-Q404 PolarHBondContact O-N 2.98Å |
| 401 | A | 91.6 | Very high | 88.6 | Confident | 44 Ų | 44 | 48.5 Ų | 48.5 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T397 L398 H399 Q404 I405 | T397-A401 WeakPolarHBondContact O-CB 3.49Å; T397-A401 PolarHBondContact O-N 3.37Å; L398-A401 PolarHBondContact O-N 3.33Å; H399-A401 PolarHBondContact O-N 3.18Å; A401-Q404 PolarHBondContact O-N 2.69Å; A401-I405 VanDerWaalsContact O-CG1 3.26Å; A401-I405 WeakPolarHBondContact O-CG1 3.34Å; A401-I405 PolarHBondContact O-N 2.73Å |
| 402 | I | 87.6 | Confident | 87.9 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 16% | 0.164 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 177.4 | -68.4 | 161.9 | 0 | 0 | 0 | 110.6 | T112 L116 L398 H399 A400 Q404 I405 T406 | T112-I402 HydrophobicContact CG2-CB 4.31Å; T112-I402 HydrophobicContact CG2-CD1 3.44Å; T112-I402 VanDerWaalsContact CG2-CD1 3.44Å; T112-I402 HydrophobicContact CG2-CG1 4.47Å; T112-I402 HydrophobicContact CG2-CG2 4.49Å; T112-I402 WeakPolarHBondContact OG1-CG2 3.39Å; L116-I402 HydrophobicContact CD1-CD1 3.54Å; L398-I402 HydrophobicContact CD1-CD1 3.94Å; L398-I402 HydrophobicContact CD1-CG1 4.46Å; L398-I402 HydrophobicContact CG-CD1 3.97Å; L398-I402 WeakPolarHBondContact O-CG1 3.35Å; L398-I402 PolarHBondContact O-N 3Å; H399-I402 PolarHBondContact O-N 3.32Å; A400-I402 PolarHBondContact O-N 3.23Å; I402-Q404 VanDerWaalsContact C-N 3.28Å; I402-Q404 PolarHBondContact O-N 3.29Å; I402-I405 PolarHBondContact O-N 3.39Å; I402-I405 VanDerWaalsContact O-N 3.17Å; I402-T406 WeakPolarHBondContact O-CB 3.37Å; I402-T406 PolarHBondContact O-N 3.43Å; I402-T406 PolarHBondContact O-OG1 3.03Å |
| 403 | L | 83.8 | Confident | 87.1 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 12% | 0.12 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.8 | -40.2 | 175.9 | -73.1 | 171.8 | 0 | 0 | 0 | 112.3 | L317 F321 H399 A400 K407 | L317-L403 HydrophobicContact CB-CD2 4.42Å; F321-L403 HydrophobicContact CB-CD1 4.07Å; F321-L403 HydrophobicContact CD2-CD1 3.9Å; F321-L403 HydrophobicContact CG-CD1 4.09Å; H399-L403 WeakPolarHBondContact O-CG 3.34Å; H399-L403 PolarHBondContact O-N 3.42Å; A400-L403 PolarHBondContact O-N 3.48Å; L403-K407 WeakPolarHBondContact O-CB 3.38Å; L403-K407 PolarHBondContact O-N 2.9Å |
| 404 | Q | 86.8 | Confident | 85.8 | Confident | 109 Ų | 109 | 54 Ų | 54 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.4 | -43.8 | 175.3 | -69.3 | -62.6 | -25.3 | 0 | 0 | 112.3 | A400 A401 I402 K407 I408 | A400-Q404 WeakPolarHBondContact O-CG 3.41Å; A400-Q404 PolarHBondContact O-N 2.98Å; A401-Q404 PolarHBondContact O-N 2.69Å; I402-Q404 VanDerWaalsContact C-N 3.28Å; I402-Q404 PolarHBondContact O-N 3.29Å; Q404-K407 WeakPolarHBondContact O-CB 3.12Å; Q404-K407 PolarHBondContact O-N 3.05Å; Q404-I408 VanDerWaalsContact O-CG1 3.31Å; Q404-I408 WeakPolarHBondContact O-CG1 3.49Å; Q404-I408 PolarHBondContact O-N 2.97Å |
| 405 | I | 87.6 | Confident | 84.8 | Confident | 93 Ų | 93 | 59.4 Ų | 59.4 | 48% | 0.477 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 176.7 | -70.2 | 165.1 | 0 | 0 | 0 | 110.2 | A401 I402 K407 I408 I409 | A401-I405 VanDerWaalsContact O-CG1 3.26Å; A401-I405 WeakPolarHBondContact O-CG1 3.34Å; A401-I405 PolarHBondContact O-N 2.73Å; I402-I405 PolarHBondContact O-N 3.39Å; I402-I405 VanDerWaalsContact O-N 3.17Å; I405-K407 VanDerWaalsContact C-N 3.29Å; I405-K407 PolarHBondContact O-N 3.43Å; I405-I408 PolarHBondContact O-N 3.46Å; I405-I409 HydrophobicContact CG2-CD1 3.54Å; I405-I409 HydrophobicContact CG2-CG1 4.17Å; I405-I409 WeakPolarHBondContact O-CB 3.48Å; I405-I409 VanDerWaalsContact O-CG1 3.3Å; I405-I409 WeakPolarHBondContact O-CG1 3.34Å; I405-I409 PolarHBondContact O-N 3.13Å |
| 406 | T | 82.8 | Confident | 83.7 | Confident | 28 Ų | 28 | 64.2 Ų | 64.2 | 17% | 0.172 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.5 | -41.8 | 175.5 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | I105 I402 Y410 | I105-T406 HydrophobicContact CG1-CG2 3.89Å; I105-T406 HydrophobicContact CG2-CG2 4.49Å; I402-T406 WeakPolarHBondContact O-CB 3.37Å; I402-T406 PolarHBondContact O-N 3.43Å; I402-T406 PolarHBondContact O-OG1 3.03Å; T406-Y410 VanDerWaalsContact O-CB 3.29Å; T406-Y410 WeakPolarHBondContact O-CB 3.33Å; T406-Y410 PolarHBondContact O-N 3.03Å |
| 407 | K | 81.9 | Confident | 82.2 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.5 | -50 | 174.4 | -166.7 | -179.2 | 175.6 | -176.4 | 0 | 112 | F314 L403 Q404 I405 Y410 S411 | F314-K407 HydrophobicContact CD1-CB 4.26Å; F314-K407 HydrophobicContact CD1-CD 4.27Å; F314-K407 HydrophobicContact CD1-CG 4.11Å; F314-K407 HydrophobicContact CE1-CB 3.41Å; F314-K407 VanDerWaalsContact CE1-CB 3.41Å; F314-K407 HydrophobicContact CE1-CD 4.24Å; F314-K407 HydrophobicContact CE1-CG 3.67Å; F314-K407 HydrophobicContact CZ-CB 3.67Å; F314-K407 HydrophobicContact CZ-CG 3.9Å; L403-K407 WeakPolarHBondContact O-CB 3.38Å; L403-K407 PolarHBondContact O-N 2.9Å; Q404-K407 WeakPolarHBondContact O-CB 3.12Å; Q404-K407 PolarHBondContact O-N 3.05Å; I405-K407 VanDerWaalsContact C-N 3.29Å; I405-K407 PolarHBondContact O-N 3.43Å; K407-Y410 PolarHBondContact O-N 3.01Å; K407-S411 WeakPolarHBondContact O-CB 3.01Å; K407-S411 PolarHBondContact O-N 3.47Å; K407-S411 PolarHBondContact O-OG 2.98Å |
| 408 | I | 85.3 | Confident | 80.1 | Confident | 99 Ų | 99 | 71.2 Ų | 71.2 | 51% | 0.508 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.6 | -46.7 | -177.3 | -67.8 | 164.9 | 0 | 0 | 0 | 111.1 | Q404 I405 Y410 S411 T412 | Q404-I408 VanDerWaalsContact O-CG1 3.31Å; Q404-I408 WeakPolarHBondContact O-CG1 3.49Å; Q404-I408 PolarHBondContact O-N 2.97Å; I405-I408 PolarHBondContact O-N 3.46Å; I408-Y410 VanDerWaalsContact C-N 3.31Å; I408-Y410 PolarHBondContact O-N 3.3Å; I408-S411 PolarHBondContact O-N 3.14Å; I408-S411 PolarHBondContact O-OG 3.46Å; I408-T412 WeakPolarHBondContact O-CB 3.38Å; I408-T412 PolarHBondContact O-N 3.22Å; I408-T412 PolarHBondContact O-OG1 3.02Å |
| 409 | I | 84.2 | Confident | 79.6 | Confident | 93 Ų | 93 | 71.5 Ų | 71.5 | 48% | 0.477 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.7 | -48.9 | 179.2 | -70.9 | 171.4 | 0 | 0 | 0 | 109.3 | I405 T412 L413 | I405-I409 HydrophobicContact CG2-CD1 3.54Å; I405-I409 HydrophobicContact CG2-CG1 4.17Å; I405-I409 WeakPolarHBondContact O-CB 3.48Å; I405-I409 VanDerWaalsContact O-CG1 3.3Å; I405-I409 WeakPolarHBondContact O-CG1 3.34Å; I405-I409 PolarHBondContact O-N 3.13Å; I409-T412 PolarHBondContact O-N 3.47Å; I409-L413 HydrophobicContact CG2-CD1 3.89Å; I409-L413 HydrophobicContact CG2-CG 4.38Å; I409-L413 WeakPolarHBondContact O-CG 3.5Å; I409-L413 PolarHBondContact O-N 3.3Å |
| 410 | Y | 76.9 | Confident | 79.1 | Confident | 28 Ų | 28 | 74.6 Ų | 74.6 | 11% | 0.11 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -71.9 | -37.7 | -175.2 | -175.4 | -94.4 | 0 | 0 | 0 | 112.5 | A101 L310 T406 K407 I408 T412 L413 L414 | A101-Y410 HydrophobicContact CB-CD2 4.02Å; A101-Y410 HydrophobicContact CB-CE2 3.19Å; L310-Y410 HydrophobicContact CB-CE1 4.25Å; L310-Y410 HydrophobicContact CD1-CD1 3.07Å; L310-Y410 HydrophobicContact CD1-CE1 3.31Å; L310-Y410 HydrophobicContact CD1-CG 4.26Å; L310-Y410 HydrophobicContact CG-CD1 4.46Å; L310-Y410 HydrophobicContact CG-CE1 4.43Å; T406-Y410 VanDerWaalsContact O-CB 3.29Å; T406-Y410 WeakPolarHBondContact O-CB 3.33Å; T406-Y410 PolarHBondContact O-N 3.03Å; K407-Y410 PolarHBondContact O-N 3.01Å; I408-Y410 VanDerWaalsContact C-N 3.31Å; I408-Y410 PolarHBondContact O-N 3.3Å; Y410-T412 VanDerWaalsContact C-N 3.28Å; Y410-T412 PolarHBondContact O-N 3.08Å; Y410-L413 PolarHBondContact O-N 2.76Å; Y410-L414 HydrophobicContact CD1-CD1 3.72Å; Y410-L414 HydrophobicContact CD1-CG 4.17Å; Y410-L414 HydrophobicContact CE1-CD1 3.29Å; Y410-L414 HydrophobicContact CE1-CD2 4.34Å; Y410-L414 HydrophobicContact CE1-CG 3.84Å; Y410-L414 HydrophobicContact CE2-CG 4.47Å; Y410-L414 WeakPolarHBondContact O-CB 3.46Å; Y410-L414 WeakPolarHBondContact O-CG 3.42Å; Y410-L414 PolarHBondContact O-N 3.43Å |
| 411 | S | 77.6 | Confident | 78.4 | Confident | 44 Ų | 44 | 76.9 Ų | 76.9 | 31% | 0.308 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.2 | -37 | 172.2 | 64.3 | 0 | 0 | 0 | 0 | 112.2 | K407 I408 Q415 | K407-S411 WeakPolarHBondContact O-CB 3.01Å; K407-S411 PolarHBondContact O-N 3.47Å; K407-S411 PolarHBondContact O-OG 2.98Å; I408-S411 PolarHBondContact O-N 3.14Å; I408-S411 PolarHBondContact O-OG 3.46Å; S411-Q415 WeakPolarHBondContact O-CB 3.49Å; S411-Q415 PolarHBondContact O-N 3.38Å |
| 412 | T | 82.1 | Confident | 77.7 | Confident | 62 Ų | 62 | 78.9 Ų | 78.9 | 38% | 0.38 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.5 | -42 | 177.9 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | I408 I409 Y410 L414 Q415 N416 | I408-T412 WeakPolarHBondContact O-CB 3.38Å; I408-T412 PolarHBondContact O-N 3.22Å; I408-T412 PolarHBondContact O-OG1 3.02Å; I409-T412 PolarHBondContact O-N 3.47Å; Y410-T412 VanDerWaalsContact C-N 3.28Å; Y410-T412 PolarHBondContact O-N 3.08Å; T412-L414 VanDerWaalsContact C-N 3.31Å; T412-L414 PolarHBondContact O-N 2.72Å; T412-Q415 PolarHBondContact O-N 3.02Å; T412-N416 PolarHBondContact O-N 3.31Å; T412-N416 PolarHBondContact O-ND2 3.03Å |
| 413 | L | 77.2 | Confident | 77.1 | Confident | 107 Ų | 107 | 81.8 Ų | 81.8 | 56% | 0.56 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.5 | -40.5 | 174.8 | -73.5 | 172.9 | 0 | 0 | 0 | 111.8 | I409 Y410 N416 S417 | I409-L413 HydrophobicContact CG2-CD1 3.89Å; I409-L413 HydrophobicContact CG2-CG 4.38Å; I409-L413 WeakPolarHBondContact O-CG 3.5Å; I409-L413 PolarHBondContact O-N 3.3Å; Y410-L413 PolarHBondContact O-N 2.76Å; L413-N416 PolarHBondContact O-N 3.42Å; L413-S417 WeakPolarHBondContact O-CB 3.39Å; L413-S417 PolarHBondContact O-N 3.18Å; L413-S417 PolarHBondContact O-OG 3.27Å |
| 414 | L | 69.8 | Low | 76.6 | Confident | 10 Ų | 10 | 85.7 Ų | 85.7 | 5% | 0.052 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 174.9 | -75.8 | 175.7 | 0 | 0 | 0 | 111.6 | M306 Y410 T412 N416 S417 | M306-L414 HydrophobicContact CB-CD2 4.11Å; M306-L414 HydrophobicContact CE-CD2 3.56Å; M306-L414 HydrophobicContact SD-CD2 4.15Å; Y410-L414 HydrophobicContact CD1-CD1 3.72Å; Y410-L414 HydrophobicContact CD1-CG 4.17Å; Y410-L414 HydrophobicContact CE1-CD1 3.29Å; Y410-L414 HydrophobicContact CE1-CD2 4.34Å; Y410-L414 HydrophobicContact CE1-CG 3.84Å; Y410-L414 HydrophobicContact CE2-CG 4.47Å; Y410-L414 WeakPolarHBondContact O-CB 3.46Å; Y410-L414 WeakPolarHBondContact O-CG 3.42Å; Y410-L414 PolarHBondContact O-N 3.43Å; T412-L414 VanDerWaalsContact C-N 3.31Å; T412-L414 PolarHBondContact O-N 2.72Å; L414-N416 VanDerWaalsContact C-N 3.3Å; L414-N416 PolarHBondContact O-N 2.98Å; L414-S417 PolarHBondContact O-N 3.32Å; L414-S417 VanDerWaalsContact O-N 3.14Å; L414-S417 PolarHBondContact O-OG 3.03Å |
| 415 | Q | 73 | Confident | 75.9 | Confident | 147 Ų | 147 | 84.1 Ų | 84.1 | 69% | 0.687 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.9 | -34.2 | 180 | -169.8 | 173.9 | -0.2 | 0 | 0 | 112.9 | S411 T412 S417 | S411-Q415 WeakPolarHBondContact O-CB 3.49Å; S411-Q415 PolarHBondContact O-N 3.38Å; T412-Q415 PolarHBondContact O-N 3.02Å; Q415-S417 VanDerWaalsContact C-N 3.31Å |
| 416 | N | 71.9 | Confident | 75 | Confident | 123 Ų | 123 | 83.4 Ų | 83.4 | 66% | 0.658 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -10.5 | 177.3 | -68.3 | -19.9 | 0 | 0 | 0 | 113.9 | T412 L413 L414 | T412-N416 PolarHBondContact O-N 3.31Å; T412-N416 PolarHBondContact O-ND2 3.03Å; L413-N416 PolarHBondContact O-N 3.42Å; L414-N416 VanDerWaalsContact C-N 3.3Å; L414-N416 PolarHBondContact O-N 2.98Å |
| 417 | S | 60.8 | Low | 74.3 | Confident | 67 Ų | 67 | 88 Ų | 88 | 47% | 0.469 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -7.5 | 179.4 | 69.6 | 0 | 0 | 0 | 0 | 114.2 | L413 L414 Q415 | L413-S417 WeakPolarHBondContact O-CB 3.39Å; L413-S417 PolarHBondContact O-N 3.18Å; L413-S417 PolarHBondContact O-OG 3.27Å; L414-S417 PolarHBondContact O-N 3.32Å; L414-S417 VanDerWaalsContact O-N 3.14Å; L414-S417 PolarHBondContact O-OG 3.03Å; Q415-S417 VanDerWaalsContact C-N 3.31Å |
| 418 | I | 51.3 | Low | 73.6 | Confident | 185 Ų | 185 | 87.7 Ų | 87.7 | 95% | 0.949 | 47% | 0.469 | S | S | * | . | trans | -95 | 0 | 170 | -58.3 | 167.8 | 0 | 0 | 0 | 107.2 |
Retrieved 418 of 418 residues in 239 ms
(Link to these results)