| 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 | 29.7 | Very low | 29.6 | Very low | 230 Ų | 230 | 161.9 Ų | 161.9 | 100% | 1.133 | 89% | 0.885 | S | S | * | * | 0 | 96.9 | 0 | -63.5 | 178.4 | -171.8 | 0 | 0 | 109.7 | |||||
| 2 | F | 30.9 | Very low | 29.3 | Very low | 212 Ų | 212 | 154.3 Ų | 154.3 | 93% | 0.93 | 87% | 0.872 | S | S | * | * | trans | -117.6 | 70.7 | 178.8 | -73.5 | -68.3 | 0 | 0 | 0 | 112.2 | R4 | F2-R4 PolarHBondContact O-N 2.77Š| ||
| 3 | G | 26.9 | Very low | 29.1 | Very low | 78 Ų | 78 | 157.1 Ų | 157.1 | 80% | 0.804 | 87% | 0.873 | S | S | * | * | trans | -73.8 | 103.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S5 | G3-S5 PolarHBondContact O-N 3.38Š| ||
| 4 | R | 35.9 | Very low | 29.7 | Very low | 249 Ų | 249 | 151.9 Ų | 151.9 | 94% | 0.94 | 87% | 0.872 | S | S | * | * | trans | -61.1 | 103.3 | 170 | -75.6 | -178.1 | 172.1 | 178.3 | -1.5 | 110.7 | F2 | F2-R4 PolarHBondContact O-N 2.77Š| ||
| 5 | S | 28.3 | Very low | 30 | Very low | 117 Ų | 117 | 155.2 Ų | 155.2 | 82% | 0.818 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -71 | 139.7 | 166.4 | 59.6 | 0 | 0 | 0 | 0 | 110.2 | G3 | G3-S5 PolarHBondContact O-N 3.38Š|
| 6 | R | 31.4 | Very low | 30.2 | Very low | 238 Ų | 238 | 151.9 Ų | 151.9 | 90% | 0.898 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 137 | -176 | -70.3 | 175.6 | 170.9 | 170.1 | -4.7 | 110.9 | ||
| 7 | S | 31.6 | Very low | 30.6 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 83% | 0.832 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 130.2 | 168.4 | 59.6 | 0 | 0 | 0 | 0 | 112 | ||
| 8 | W | 28.3 | Very low | 31.6 | Very low | 243 Ų | 243 | 152.7 Ų | 152.7 | 92% | 0.92 | 85% | 0.852 | S | S | * | * | trans | -165 | 135.8 | 173.5 | -112.6 | -12.8 | 0 | 0 | 0 | 104.9 | ||||
| 9 | V | 32.8 | Very low | 33 | Very low | 137 Ų | 137 | 150.6 Ų | 150.6 | 83% | 0.83 | 84% | 0.839 | S | S | * | * | cis | -141.7 | 150.1 | 4.8 | 179.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 10 | G | 24.1 | Very low | 34.8 | Very low | 70 Ų | 70 | 147.7 Ų | 147.7 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | cis | 158.2 | 178.8 | -3.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 11 | G | 25.5 | Very low | 36.8 | Very low | 88 Ų | 88 | 143.5 Ų | 143.5 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | trans | 95.7 | 118.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 12 | G | 25.8 | Very low | 39.4 | Very low | 71 Ų | 71 | 133.9 Ų | 133.9 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | 115.6 | 94.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 13 | H | 27.7 | Very low | 42.1 | Very low | 190 Ų | 190 | 125.6 Ų | 125.6 | 88% | 0.88 | 72% | 0.716 | S | S | * | * | trans | 42.7 | 106 | 147.2 | -66.9 | 90.2 | 0 | 0 | 0 | 120.6 | ||||
| 14 | G | 37.5 | Very low | 45 | Very low | 84 Ų | 84 | 127.1 Ų | 127.1 | 87% | 0.866 | 71% | 0.706 | S | S | * | * | 59.1 | 68.7 | 123.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 15 | K | 33.7 | Very low | 47.5 | Very low | 202 Ų | 202 | 117.6 Ų | 117.6 | 88% | 0.878 | 67% | 0.672 | S | S | * | * | trans | -124.8 | 151.1 | 152.1 | -73 | -175.5 | 176 | 177.1 | 0 | 109.1 | ||||
| 16 | S | 33.7 | Very low | 50.5 | Low | 102 Ų | 102 | 112 Ų | 112 | 71% | 0.713 | 63% | 0.633 | S | S | * | * | trans | -55 | 159.7 | 176.9 | 46.4 | 0 | 0 | 0 | 0 | 111.5 | R18 | S16-R18 PolarHBondContact O-N 3.03Š| ||
| 17 | S | 36.8 | Very low | 53.4 | Low | 104 Ų | 104 | 104.7 Ų | 104.7 | 73% | 0.727 | 61% | 0.607 | S | S | * | * | trans | -46.9 | 111.8 | 159.9 | 46 | 0 | 0 | 0 | 0 | 108.6 | N19 | S17-N19 PolarHBondContact O-N 2.84Š| ||
| 18 | R | 47.8 | Very low | 56.3 | Low | 214 Ų | 214 | 105.3 Ų | 105.3 | 81% | 0.808 | 59% | 0.592 | S | S | * | * | trans | -57.6 | 122.9 | 169.3 | -75.2 | 177.8 | 167.3 | 173.3 | -5.2 | 106.3 | S16 I20 | S16-R18 PolarHBondContact O-N 3.03Å; R18-I20 PolarHBondContact O-N 3.25Å | ||
| 19 | N | 59 | Low | 59.3 | Low | 114 Ų | 114 | 94 Ų | 94 | 61% | 0.61 | 55% | 0.55 | S | S | * | . | trans | -58.7 | 108.5 | 174.1 | -86.8 | -2.1 | 0 | 0 | 0 | 108 | S17 H21 S22 | S17-N19 PolarHBondContact O-N 2.84Å; N19-H21 VanDerWaalsContact C-N 3.26Å; N19-H21 PolarHBondContact O-N 2.82Å; N19-S22 WeakPolarHBondContact O-CB 3.45Å; N19-S22 PolarHBondContact O-OG 3.15Å | ||
| 20 | I | 68.6 | Low | 62.2 | Low | 92 Ų | 92 | 90.5 Ų | 90.5 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -60.3 | -46.4 | -177.7 | -60 | 174.8 | 0 | 0 | 0 | 107.7 | R18 S22 H25 I57 | R18-I20 PolarHBondContact O-N 3.25Å; I20-S22 PolarHBondContact O-N 2.84Å; I20-H25 PolarHBondContact O-CD2 2.83Å; I20-I57 WeakPolarHBondContact O-CG1 3.43Å |
| 21 | H | 77 | Confident | 65.4 | Low | 59 Ų | 59 | 92.5 Ų | 92.5 | 27% | 0.273 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -83.5 | 89.4 | 166.2 | -28.5 | -73.3 | 0 | 0 | 0 | 109.1 | N19 E56 W60 | N19-H21 VanDerWaalsContact C-N 3.26Å; N19-H21 PolarHBondContact O-N 2.82Å; H21-E56 IonicContact CE1-OE1 2.76Å; H21-E56 PolarHBondContact CE1-OE1 2.96Å; H21-W60 HydrophobicContact CB-CB 3.93Å; H21-W60 HydrophobicContact CB-CD2 3.34Å; H21-W60 HydrophobicContact CB-CE3 3.52Å; H21-W60 HydrophobicContact CB-CG 3.51Å; H21-W60 HydrophobicContact CB-CZ3 4.24Å; H21-W60 AromaticContact CG-CD1 3.94Å; H21-W60 AromaticContact CG-CG 3.65Å |
| 22 | S | 84.9 | Confident | 68.5 | Low | 29 Ų | 29 | 88.9 Ų | 88.9 | 20% | 0.203 | 47% | 0.473 | C | S | . | . | trans | -152.7 | 146.1 | 169.6 | 63 | 0 | 0 | 0 | 0 | 112.4 | N19 I20 D24 H25 L26 | N19-S22 WeakPolarHBondContact O-CB 3.45Å; N19-S22 PolarHBondContact O-OG 3.15Å; I20-S22 PolarHBondContact O-N 2.84Å; S22-D24 PolarHBondContact O-N 2.95Å; S22-H25 WeakPolarHBondContact O-CA 3.46Å; S22-H25 WeakPolarHBondContact O-CB 3.4Å; S22-H25 PolarHBondContact O-N 3.3Å; S22-H25 PolarHBondContact OG-N 3.41Å; S22-L26 PolarHBondContact O-N 2.98Å | ||
| 23 | L | 86.9 | Confident | 71.7 | Confident | 38 Ų | 38 | 85.6 Ų | 85.6 | 20% | 0.199 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -55.3 | -35 | 175.5 | 175 | 61.1 | 0 | 0 | 0 | 112.7 | L26 K27 F71 | L23-L26 PolarHBondContact O-N 3.16Å; L23-K27 WeakPolarHBondContact O-CG 3.28Å; L23-K27 PolarHBondContact O-N 3.39Å; L23-F71 HydrophobicContact CD1-CB 3.48Å; L23-F71 VanDerWaalsContact CD1-CB 3.48Å; L23-F71 HydrophobicContact CD1-CD1 4.03Å; L23-F71 HydrophobicContact CD1-CD2 4.36Å; L23-F71 HydrophobicContact CD1-CG 3.7Å |
| 24 | D | 87.1 | Confident | 74.6 | Confident | 110 Ų | 110 | 79.2 Ų | 79.2 | 59% | 0.588 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -73.2 | -27 | 176.3 | -72.7 | -19.8 | 0 | 0 | 0 | 113.2 | S22 K27 Y28 | S22-D24 PolarHBondContact O-N 2.95Å; D24-K27 WeakPolarHBondContact OD1-CD 3.47Å; D24-K27 IonicContact OD1-NZ 2.7Å; D24-K27 PolarHBondContact OD1-NZ 3.45Å; D24-Y28 PolarHBondContact O-N 3.43Å |
| 25 | H | 89.2 | Confident | 77.1 | Confident | 49 Ų | 49 | 82.1 Ų | 82.1 | 23% | 0.227 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -71.1 | -40.4 | 167.6 | -164.1 | 27.5 | 0 | 0 | 0 | 111.3 | I20 S22 K27 Y28 L29 I57 | I20-H25 PolarHBondContact O-CD2 2.83Å; S22-H25 WeakPolarHBondContact O-CA 3.46Å; S22-H25 WeakPolarHBondContact O-CB 3.4Å; S22-H25 PolarHBondContact O-N 3.3Å; S22-H25 PolarHBondContact OG-N 3.41Å; H25-K27 PolarHBondContact O-N 3.28Å; H25-Y28 AromaticContact CE1-CD1 3.8Å; H25-Y28 AromaticContact ND1-CD1 3.76Å; H25-Y28 WeakPolarHBondContact O-CA 3.39Å; H25-Y28 WeakPolarHBondContact O-CB 3.49Å; H25-Y28 PolarHBondContact O-N 3.45Å; H25-L29 WeakPolarHBondContact O-CG 3.3Å; H25-L29 PolarHBondContact O-N 2.9Å; H25-I57 HydrophobicContact CB-CD1 4.4Å |
| 26 | L | 91.4 | Very high | 79.6 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 175.1 | -175.5 | 59.5 | 0 | 0 | 0 | 112.3 | S22 L23 Y28 L29 Y30 I54 I57 V68 F71 F72 M77 | S22-L26 PolarHBondContact O-N 2.98Å; L23-L26 PolarHBondContact O-N 3.16Å; L26-Y28 VanDerWaalsContact C-N 3.28Å; L26-Y28 PolarHBondContact O-N 2.86Å; L26-L29 PolarHBondContact O-N 3.18Å; L26-Y30 WeakPolarHBondContact O-CB 3.46Å; L26-Y30 PolarHBondContact O-N 2.92Å; L26-I54 HydrophobicContact CD1-CB 4.42Å; L26-I54 HydrophobicContact CD1-CG1 3.92Å; L26-I54 HydrophobicContact CD1-CG2 4.01Å; L26-I57 HydrophobicContact CB-CG2 4.33Å; L26-V68 HydrophobicContact CD2-CG1 3.85Å; L26-F71 HydrophobicContact CD2-CD1 3.85Å; L26-F71 HydrophobicContact CG-CD1 3.95Å; L26-F71 HydrophobicContact CG-CE1 4.19Å; L26-F72 HydrophobicContact CD2-CB 4.38Å; L26-M77 HydrophobicContact CD1-CE 3.61Å; L26-M77 HydrophobicContact CD1-SD 3.95Å; L26-M77 HydrophobicContact CG-CE 4.36Å; L26-M77 HydrophobicContact CG-SD 4.14Å |
| 27 | K | 91.7 | Very high | 82 | Confident | 83 Ų | 83 | 73 Ų | 73 | 36% | 0.361 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.9 | -39 | 171.9 | -72.1 | 168.2 | -164.5 | 154 | 0 | 112.6 | L23 D24 H25 H31 F71 | L23-K27 WeakPolarHBondContact O-CG 3.28Å; L23-K27 PolarHBondContact O-N 3.39Å; D24-K27 WeakPolarHBondContact OD1-CD 3.47Å; D24-K27 IonicContact OD1-NZ 2.7Å; D24-K27 PolarHBondContact OD1-NZ 3.45Å; H25-K27 PolarHBondContact O-N 3.28Å; K27-H31 PolarHBondContact O-N 2.97Å; K27-F71 HydrophobicContact CB-CZ 4.23Å; K27-F71 HydrophobicContact CG-CD2 4.43Å; K27-F71 HydrophobicContact CG-CE1 3.94Å; K27-F71 HydrophobicContact CG-CE2 3.78Å; K27-F71 HydrophobicContact CG-CZ 3.51Å |
| 28 | Y | 92.8 | Very high | 84.3 | Confident | 132 Ų | 132 | 72.3 Ų | 72.3 | 52% | 0.518 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.7 | -46.3 | 174.8 | 168.2 | -93.6 | 0 | 0 | 0 | 111.9 | D24 H25 L26 Y30 H31 V32 | D24-Y28 PolarHBondContact O-N 3.43Å; H25-Y28 AromaticContact CE1-CD1 3.8Å; H25-Y28 AromaticContact ND1-CD1 3.76Å; H25-Y28 WeakPolarHBondContact O-CA 3.39Å; H25-Y28 WeakPolarHBondContact O-CB 3.49Å; H25-Y28 PolarHBondContact O-N 3.45Å; L26-Y28 VanDerWaalsContact C-N 3.28Å; L26-Y28 PolarHBondContact O-N 2.86Å; Y28-Y30 VanDerWaalsContact C-N 3.33Å; Y28-Y30 PolarHBondContact O-N 3.38Å; Y28-H31 WeakPolarHBondContact O-CB 3.33Å; Y28-H31 PolarHBondContact O-N 2.92Å; Y28-V32 HydrophobicContact CD1-CG2 4.31Å; Y28-V32 HydrophobicContact CE1-CG2 3.78Å; Y28-V32 HydrophobicContact CE2-CG2 4.31Å; Y28-V32 PolarHBondContact O-N 2.89Å |
| 29 | L | 92 | Very high | 86.2 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.5 | -36.9 | 179.9 | -63.9 | 171.2 | 0 | 0 | 0 | 111.8 | H25 L26 H31 V32 L33 T50 I54 I57 | H25-L29 WeakPolarHBondContact O-CG 3.3Å; H25-L29 PolarHBondContact O-N 2.9Å; L26-L29 PolarHBondContact O-N 3.18Å; L29-H31 VanDerWaalsContact C-N 3.31Å; L29-H31 PolarHBondContact O-N 2.91Å; L29-V32 WeakPolarHBondContact O-CB 3.38Å; L29-V32 PolarHBondContact O-N 3.16Å; L29-V32 VanDerWaalsContact O-N 3.11Å; L29-L33 PolarHBondContact O-N 2.83Å; L29-T50 HydrophobicContact CB-CG2 4.06Å; L29-T50 HydrophobicContact CD2-CG2 4.03Å; L29-I54 HydrophobicContact CB-CD1 4.08Å; L29-I54 HydrophobicContact CB-CG1 3.86Å; L29-I54 HydrophobicContact CD1-CG1 3.93Å; L29-I57 HydrophobicContact CD1-CD1 3.49Å; L29-I57 VanDerWaalsContact CD1-CD1 3.49Å |
| 30 | Y | 93.1 | Very high | 87.4 | Confident | 63 Ų | 63 | 61 Ų | 61 | 25% | 0.247 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.1 | -42.8 | 169.1 | 173.6 | -113.2 | 0 | 0 | 0 | 112.7 | L26 Y28 V32 L33 T34 F71 K75 M77 F80 | L26-Y30 WeakPolarHBondContact O-CB 3.46Å; L26-Y30 PolarHBondContact O-N 2.92Å; Y28-Y30 VanDerWaalsContact C-N 3.33Å; Y28-Y30 PolarHBondContact O-N 3.38Å; Y30-V32 VanDerWaalsContact C-N 3.33Å; Y30-V32 PolarHBondContact O-N 3.23Å; Y30-L33 PolarHBondContact O-N 2.9Å; Y30-T34 WeakPolarHBondContact O-CB 3.4Å; Y30-T34 PolarHBondContact O-N 3.21Å; Y30-T34 PolarHBondContact O-OG1 2.83Å; Y30-F71 HydrophobicContact CD1-CZ 4.39Å; Y30-K75 HydrophobicContact CD2-CB 4.08Å; Y30-K75 HydrophobicContact CE1-CB 4.47Å; Y30-K75 HydrophobicContact CE1-CG 4.33Å; Y30-K75 HydrophobicContact CE2-CB 3.7Å; Y30-K75 HydrophobicContact CE2-CG 4.41Å; Y30-M77 HydrophobicContact CD2-CE 4.21Å; Y30-M77 HydrophobicContact CD2-CG 3.82Å; Y30-M77 HydrophobicContact CD2-SD 4.04Å; Y30-M77 HydrophobicContact CE2-CG 4.39Å; Y30-M77 HydrophobicContact CG-CE 4.46Å; Y30-M77 HydrophobicContact CG-SD 4.31Å; Y30-F80 HydrophobicContact CD2-CE2 4.41Å; Y30-F80 AromaticContact CE2-CE2 3.93Å; Y30-F80 HydrophobicContact CE2-CE2 3.93Å; Y30-F80 HydrophobicContact CE2-CZ 4.09Å |
| 31 | H | 92 | Very high | 88.1 | Confident | 111 Ų | 111 | 63.8 Ų | 63.8 | 51% | 0.514 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.6 | -31.2 | 176.3 | -169.3 | 60.7 | 0 | 0 | 0 | 112.7 | K27 Y28 L29 K35 | K27-H31 PolarHBondContact O-N 2.97Å; Y28-H31 WeakPolarHBondContact O-CB 3.33Å; Y28-H31 PolarHBondContact O-N 2.92Å; L29-H31 VanDerWaalsContact C-N 3.31Å; L29-H31 PolarHBondContact O-N 2.91Å; H31-K35 WeakPolarHBondContact O-CB 3.49Å; H31-K35 PolarHBondContact O-N 3.49Å |
| 32 | V | 90.9 | Very high | 88.4 | Confident | 13 Ų | 13 | 70 Ų | 70 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.4 | -47.4 | 172.6 | 176.5 | 0 | 0 | 0 | 0 | 111 | Y28 L29 Y30 K35 N36 L46 T50 | Y28-V32 HydrophobicContact CD1-CG2 4.31Å; Y28-V32 HydrophobicContact CE1-CG2 3.78Å; Y28-V32 HydrophobicContact CE2-CG2 4.31Å; Y28-V32 PolarHBondContact O-N 2.89Å; L29-V32 WeakPolarHBondContact O-CB 3.38Å; L29-V32 PolarHBondContact O-N 3.16Å; L29-V32 VanDerWaalsContact O-N 3.11Å; Y30-V32 VanDerWaalsContact C-N 3.33Å; Y30-V32 PolarHBondContact O-N 3.23Å; V32-K35 PolarHBondContact O-N 2.84Å; V32-N36 WeakPolarHBondContact O-CB 3.45Å; V32-N36 PolarHBondContact O-N 2.83Å; V32-N36 PolarHBondContact O-ND2 2.82Å; V32-L46 HydrophobicContact CG1-CD1 4.26Å; V32-L46 HydrophobicContact CG1-CD2 4.1Å; V32-L46 HydrophobicContact CG1-CG 4.08Å; V32-T50 HydrophobicContact CB-CG2 4.32Å; V32-T50 HydrophobicContact CG1-CG2 4.23Å |
| 33 | L | 91 | Very high | 88.6 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61 | -44.7 | 175 | -69.1 | -177.6 | 0 | 0 | 0 | 112 | L29 Y30 K35 N36 T37 L47 T50 I51 I54 M77 F80 I84 | L29-L33 PolarHBondContact O-N 2.83Å; Y30-L33 PolarHBondContact O-N 2.9Å; L33-K35 PolarHBondContact O-N 2.78Å; L33-N36 CarbonylContact O-C 3.53Å; L33-N36 PolarHBondContact O-N 3Å; L33-T37 PolarHBondContact O-N 2.71Å; L33-L47 HydrophobicContact CD2-CD2 3.83Å; L33-T50 HydrophobicContact CD2-CG2 3.73Å; L33-T50 HydrophobicContact CG-CG2 3.78Å; L33-I51 HydrophobicContact CD2-CG1 4.47Å; L33-I54 HydrophobicContact CD1-CD1 3.46Å; L33-I54 VanDerWaalsContact CD1-CD1 3.46Å; L33-I54 HydrophobicContact CG-CD1 4.15Å; L33-M77 HydrophobicContact CD1-CE 4.39Å; L33-F80 HydrophobicContact CB-CD1 3.83Å; L33-F80 HydrophobicContact CB-CE1 4.18Å; L33-F80 HydrophobicContact CB-CG 4.22Å; L33-F80 HydrophobicContact CD1-CB 3.94Å; L33-F80 HydrophobicContact CD1-CG 4.17Å; L33-I84 HydrophobicContact CD2-CD1 4.16Å |
| 34 | T | 90.3 | Very high | 88.7 | Confident | 57 Ų | 57 | 71.7 Ų | 71.7 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.9 | -27.7 | -179.9 | -57 | 0 | 0 | 0 | 0 | 112.4 | Y30 | Y30-T34 WeakPolarHBondContact O-CB 3.4Å; Y30-T34 PolarHBondContact O-N 3.21Å; Y30-T34 PolarHBondContact O-OG1 2.83Å |
| 35 | K | 90.1 | Very high | 88.8 | Confident | 144 Ų | 144 | 71 Ų | 71 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -85.7 | -16.1 | 174.4 | -82.1 | 175.1 | 160.6 | 168.3 | 0 | 114.6 | H31 V32 L33 | H31-K35 WeakPolarHBondContact O-CB 3.49Å; H31-K35 PolarHBondContact O-N 3.49Å; V32-K35 PolarHBondContact O-N 2.84Å; L33-K35 PolarHBondContact O-N 2.78Å |
| 36 | N | 86.3 | Confident | 88.9 | Confident | 37 Ų | 37 | 72.7 Ų | 72.7 | 20% | 0.198 | 36% | 0.355 | C | S | . | . | trans | -126.8 | 48.2 | -173.1 | -69 | -87.5 | 0 | 0 | 0 | 110.8 | V32 L33 T38 N43 L47 | V32-N36 WeakPolarHBondContact O-CB 3.45Å; V32-N36 PolarHBondContact O-N 2.83Å; V32-N36 PolarHBondContact O-ND2 2.82Å; L33-N36 CarbonylContact O-C 3.53Å; L33-N36 PolarHBondContact O-N 3Å; N36-T38 VanDerWaalsContact C-N 3.25Å; N36-T38 PolarHBondContact O-N 2.77Å; N36-N43 PolarHBondContact OD1-ND2 2.92Å; N36-N43 VanDerWaalsContact OD1-ND2 3.08Å; N36-L47 HydrophobicContact CB-CD1 4.44Å; N36-L47 HydrophobicContact CB-CD2 3.68Å; N36-L47 HydrophobicContact CB-CG 4.22Å | ||
| 37 | T | 83.5 | Confident | 88.9 | Confident | 77 Ų | 77 | 72.7 Ų | 72.7 | 47% | 0.472 | 36% | 0.355 | S | S | . | . | trans | -65.8 | -27.4 | -178.3 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | L33 F80 Q87 | L33-T37 PolarHBondContact O-N 2.71Å; T37-F80 HydrophobicContact CG2-CE1 4.25Å; T37-Q87 PolarHBondContact O-NE2 3.41Å | ||
| 38 | T | 85.5 | Confident | 88.8 | Confident | 88 Ų | 88 | 69 Ų | 69 | 54% | 0.54 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -99.5 | 133.8 | 174.1 | 49.2 | 0 | 0 | 0 | 0 | 112.1 | N36 N43 Q87 | N36-T38 VanDerWaalsContact C-N 3.25Å; N36-T38 PolarHBondContact O-N 2.77Å; T38-N43 PolarHBondContact O-ND2 3.29Å; T38-Q87 VanDerWaalsContact CA-OE1 3.27Å |
| 39 | V | 86 | Confident | 88.8 | Confident | 27 Ų | 27 | 67 Ų | 67 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | trans | -82.7 | 132.1 | 177 | -170.4 | 0 | 0 | 0 | 0 | 109.9 | R44 L47 I84 Q87 V93 | V39-R44 HydrophobicContact CG1-CB 4.31Å; V39-L47 HydrophobicContact CB-CD1 4.48Å; V39-L47 HydrophobicContact CG1-CD1 4.49Å; V39-L47 HydrophobicContact CG2-CD1 3.99Å; V39-I84 HydrophobicContact CG2-CB 4.34Å; V39-I84 HydrophobicContact CG2-CG1 4.31Å; V39-I84 HydrophobicContact CG2-CG2 3.77Å; V39-Q87 HydrophobicContact CG2-CB 4.46Å; V39-V93 HydrophobicContact CG1-CG2 4.34Å | ||
| 40 | T | 86.3 | Confident | 88.8 | Confident | 63 Ų | 63 | 67 Ų | 67 | 39% | 0.387 | 34% | 0.335 | S | S | . | . | trans | -137.3 | 162.7 | 177.6 | 66.2 | 0 | 0 | 0 | 0 | 109.5 | Q42 N43 R44 | T40-Q42 PolarHBondContact O-N 2.86Å; T40-Q42 VanDerWaalsContact O-N 3.08Å; T40-N43 PolarHBondContact N-OD1 3.42Å; T40-N43 PolarHBondContact O-N 3.06Å; T40-N43 PolarHBondContact O-OD1 2.87Å; T40-N43 VanDerWaalsContact OG1-CG 3.23Å; T40-N43 PolarHBondContact OG1-N 2.88Å; T40-N43 PolarHBondContact OG1-OD1 3.4Å; T40-R44 PolarHBondContact O-N 2.83Å | ||
| 41 | E | 81.3 | Confident | 88.7 | Confident | 151 Ų | 151 | 64 Ų | 64 | 71% | 0.706 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21 | 176.8 | -71.9 | -155.8 | -173.7 | 0 | 0 | 114.7 | R44 | E41-R44 WeakPolarHBondContact O-CG 3.33Å; E41-R44 PolarHBondContact O-NE 3.43Å; E41-R44 IonicContact OE2-NH2 3.34Å; E41-R44 PolarHBondContact OE2-NH2 3.13Å; E41-R44 VanDerWaalsContact OE2-NH2 3.11Å |
| 42 | Q | 84.3 | Confident | 88.7 | Confident | 191 Ų | 191 | 63 Ų | 63 | 89% | 0.893 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -32.2 | -178.7 | -63.3 | 179.7 | -1.5 | 0 | 0 | 112.7 | T40 | T40-Q42 PolarHBondContact O-N 2.86Å; T40-Q42 VanDerWaalsContact O-N 3.08Å |
| 43 | N | 88.9 | Confident | 88.8 | Confident | 17 Ų | 17 | 63 Ų | 63 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -9.7 | -177.8 | 73.7 | -3.8 | 0 | 0 | 0 | 115 | N36 T38 T40 N45 L46 L47 | N36-N43 PolarHBondContact OD1-ND2 2.92Å; N36-N43 VanDerWaalsContact OD1-ND2 3.08Å; T38-N43 PolarHBondContact O-ND2 3.29Å; T40-N43 PolarHBondContact N-OD1 3.42Å; T40-N43 PolarHBondContact O-N 3.06Å; T40-N43 PolarHBondContact O-OD1 2.87Å; T40-N43 VanDerWaalsContact OG1-CG 3.23Å; T40-N43 PolarHBondContact OG1-N 2.88Å; T40-N43 PolarHBondContact OG1-OD1 3.4Å; N43-N45 VanDerWaalsContact C-N 3.31Å; N43-N45 PolarHBondContact O-N 3.28Å; N43-L46 WeakPolarHBondContact O-CB 3.28Å; N43-L46 PolarHBondContact O-N 3.45Å; N43-L47 PolarHBondContact O-N 3.08Å |
| 44 | R | 88.5 | Confident | 88.9 | Confident | 85 Ų | 85 | 62.9 Ų | 62.9 | 32% | 0.321 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -45.4 | -48.2 | 176.6 | 48.1 | 172.2 | 163.9 | -173.2 | -13.5 | 114.2 | V39 T40 E41 L47 V48 V93 | V39-R44 HydrophobicContact CG1-CB 4.31Å; T40-R44 PolarHBondContact O-N 2.83Å; E41-R44 WeakPolarHBondContact O-CG 3.33Å; E41-R44 PolarHBondContact O-NE 3.43Å; E41-R44 IonicContact OE2-NH2 3.34Å; E41-R44 PolarHBondContact OE2-NH2 3.13Å; E41-R44 VanDerWaalsContact OE2-NH2 3.11Å; R44-L47 PolarHBondContact O-N 2.82Å; R44-V48 WeakPolarHBondContact O-CG2 3.49Å; R44-V48 PolarHBondContact O-N 2.72Å; R44-V93 HydrophobicContact CB-CG2 3.8Å |
| 45 | N | 90.2 | Very high | 89 | Confident | 95 Ų | 95 | 60.4 Ų | 60.4 | 51% | 0.508 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.7 | -37.7 | -177.7 | -61.4 | 3.1 | 0 | 0 | 0 | 111.7 | N43 E49 | N43-N45 VanDerWaalsContact C-N 3.31Å; N43-N45 PolarHBondContact O-N 3.28Å; N45-E49 WeakPolarHBondContact O-CB 3.49Å; N45-E49 PolarHBondContact O-N 3.02Å |
| 46 | L | 91.4 | Very high | 89.1 | Confident | 85 Ų | 85 | 56.7 Ų | 56.7 | 45% | 0.445 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 174.5 | 175.5 | 63.8 | 0 | 0 | 0 | 111 | V32 N43 T50 | V32-L46 HydrophobicContact CG1-CD1 4.26Å; V32-L46 HydrophobicContact CG1-CD2 4.1Å; V32-L46 HydrophobicContact CG1-CG 4.08Å; N43-L46 WeakPolarHBondContact O-CB 3.28Å; N43-L46 PolarHBondContact O-N 3.45Å; L46-T50 WeakPolarHBondContact O-CB 3.45Å; L46-T50 PolarHBondContact O-N 2.7Å; L46-T50 PolarHBondContact O-OG1 2.92Å |
| 47 | L | 90.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66 | -47.2 | 178 | -75.6 | 175.8 | 0 | 0 | 0 | 111.9 | L33 N36 V39 N43 R44 T50 I51 I84 | L33-L47 HydrophobicContact CD2-CD2 3.83Å; N36-L47 HydrophobicContact CB-CD1 4.44Å; N36-L47 HydrophobicContact CB-CD2 3.68Å; N36-L47 HydrophobicContact CB-CG 4.22Å; V39-L47 HydrophobicContact CB-CD1 4.48Å; V39-L47 HydrophobicContact CG1-CD1 4.49Å; V39-L47 HydrophobicContact CG2-CD1 3.99Å; N43-L47 PolarHBondContact O-N 3.08Å; R44-L47 PolarHBondContact O-N 2.82Å; L47-T50 PolarHBondContact O-N 3.01Å; L47-I51 WeakPolarHBondContact O-CB 3.36Å; L47-I51 WeakPolarHBondContact O-CD1 3.48Å; L47-I51 WeakPolarHBondContact O-CG1 3.38Å; L47-I51 PolarHBondContact O-N 2.89Å; L47-I84 HydrophobicContact CD1-CD1 4.42Å; L47-I84 HydrophobicContact CD2-CD1 4.05Å |
| 48 | V | 90.6 | Very high | 89.9 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.8 | -50.5 | 174.6 | 164.9 | 0 | 0 | 0 | 0 | 111.1 | R44 T50 I51 R52 Y92 V93 Q96 | R44-V48 WeakPolarHBondContact O-CG2 3.49Å; R44-V48 PolarHBondContact O-N 2.72Å; V48-T50 VanDerWaalsContact C-N 3.32Å; V48-T50 PolarHBondContact O-N 3.36Å; V48-I51 PolarHBondContact O-N 2.83Å; V48-R52 WeakPolarHBondContact O-CB 3.47Å; V48-R52 PolarHBondContact O-N 3.01Å; V48-Y92 HydrophobicContact CB-CE1 4.37Å; V48-Y92 HydrophobicContact CG2-CD1 4.43Å; V48-Y92 HydrophobicContact CG2-CE1 3.92Å; V48-V93 HydrophobicContact CG2-CG1 4.4Å; V48-V93 HydrophobicContact CG2-CG2 4.3Å; V48-Q96 HydrophobicContact CB-CB 4.5Å; V48-Q96 HydrophobicContact CG1-CB 3.7Å; V48-Q96 HydrophobicContact CG1-CG 3.88Å; V48-Q96 HydrophobicContact CG2-CB 3.96Å; V48-Q96 HydrophobicContact CG2-CG 4.45Å |
| 49 | E | 91.9 | Very high | 90.2 | Very high | 90 Ų | 90 | 48.6 Ų | 48.6 | 42% | 0.421 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.1 | -32.8 | -179.9 | -177.3 | 59.1 | -167.9 | 0 | 0 | 112.6 | N45 R52 S53 | N45-E49 WeakPolarHBondContact O-CB 3.49Å; N45-E49 PolarHBondContact O-N 3.02Å; E49-R52 IonicContact OE1-CZ 2.73Å; E49-R52 IonicContact OE1-NE 3.32Å; E49-R52 PolarHBondContact OE1-NE 2.91Å; E49-R52 IonicContact OE1-NH2 2.76Å; E49-R52 PolarHBondContact OE1-NH2 3.22Å; E49-R52 IonicContact OE2-CZ 2.72Å; E49-R52 IonicContact OE2-NE 2.7Å; E49-R52 PolarHBondContact OE2-NE 3.09Å; E49-R52 IonicContact OE2-NH2 3.68Å; E49-S53 VanDerWaalsContact O-CB 3.27Å; E49-S53 WeakPolarHBondContact O-CB 3.38Å; E49-S53 PolarHBondContact O-N 3.48Å; E49-S53 PolarHBondContact O-OG 2.92Å |
| 50 | T | 92.5 | Very high | 90.4 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.8 | -45.2 | 172.9 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | L29 V32 L33 L46 L47 V48 S53 I54 | L29-T50 HydrophobicContact CB-CG2 4.06Å; L29-T50 HydrophobicContact CD2-CG2 4.03Å; V32-T50 HydrophobicContact CB-CG2 4.32Å; V32-T50 HydrophobicContact CG1-CG2 4.23Å; L33-T50 HydrophobicContact CD2-CG2 3.73Å; L33-T50 HydrophobicContact CG-CG2 3.78Å; L46-T50 WeakPolarHBondContact O-CB 3.45Å; L46-T50 PolarHBondContact O-N 2.7Å; L46-T50 PolarHBondContact O-OG1 2.92Å; L47-T50 PolarHBondContact O-N 3.01Å; V48-T50 VanDerWaalsContact C-N 3.32Å; V48-T50 PolarHBondContact O-N 3.36Å; T50-S53 PolarHBondContact O-N 3.12Å; T50-I54 HydrophobicContact CG2-CD1 3.98Å; T50-I54 WeakPolarHBondContact O-CD1 3.43Å; T50-I54 VanDerWaalsContact O-CG1 3.23Å; T50-I54 WeakPolarHBondContact O-CG1 3.2Å; T50-I54 PolarHBondContact O-N 3.06Å |
| 51 | I | 91.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.4 | -48 | 176.6 | -75.8 | 158.3 | 0 | 0 | 0 | 110.8 | L33 L47 V48 S53 I54 T55 F81 I84 L97 T100 | L33-I51 HydrophobicContact CD2-CG1 4.47Å; L47-I51 WeakPolarHBondContact O-CB 3.36Å; L47-I51 WeakPolarHBondContact O-CD1 3.48Å; L47-I51 WeakPolarHBondContact O-CG1 3.38Å; L47-I51 PolarHBondContact O-N 2.89Å; V48-I51 PolarHBondContact O-N 2.83Å; I51-S53 VanDerWaalsContact C-N 3.33Å; I51-S53 PolarHBondContact O-N 2.94Å; I51-I54 PolarHBondContact O-N 3.4Å; I51-I54 VanDerWaalsContact O-N 3.16Å; I51-T55 PolarHBondContact O-N 3.04Å; I51-F81 HydrophobicContact CG1-CE1 4.48Å; I51-F81 HydrophobicContact CG1-CZ 4.48Å; I51-F81 HydrophobicContact CG2-CD2 4.01Å; I51-F81 HydrophobicContact CG2-CE2 3.65Å; I51-F81 HydrophobicContact CG2-CZ 4.09Å; I51-I84 HydrophobicContact CD1-CD1 3.83Å; I51-I84 HydrophobicContact CD1-CG2 4.34Å; I51-L97 HydrophobicContact CD1-CD2 3.92Å; I51-L97 HydrophobicContact CD1-CG 4.3Å; I51-L97 HydrophobicContact CG2-CD2 4.11Å; I51-T100 HydrophobicContact CG2-CG2 3.77Å |
| 52 | R | 92.2 | Very high | 91 | Very high | 89 Ų | 89 | 42 Ų | 42 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.1 | -47.2 | 176.1 | -164.9 | -160 | 65.5 | 63.6 | 7.4 | 111.4 | V48 E49 T55 E56 | V48-R52 WeakPolarHBondContact O-CB 3.47Å; V48-R52 PolarHBondContact O-N 3.01Å; E49-R52 IonicContact OE1-CZ 2.73Å; E49-R52 IonicContact OE1-NE 3.32Å; E49-R52 PolarHBondContact OE1-NE 2.91Å; E49-R52 IonicContact OE1-NH2 2.76Å; E49-R52 PolarHBondContact OE1-NH2 3.22Å; E49-R52 IonicContact OE2-CZ 2.72Å; E49-R52 IonicContact OE2-NE 2.7Å; E49-R52 PolarHBondContact OE2-NE 3.09Å; E49-R52 IonicContact OE2-NH2 3.68Å; R52-T55 PolarHBondContact O-N 3.01Å; R52-E56 IonicContact CZ-OE2 3.68Å; R52-E56 IonicContact NH1-OE2 2.08Å; R52-E56 PolarHBondContact NH1-OE2 3.45Å; R52-E56 IonicContact NH2-OE2 3.47Å; R52-E56 PolarHBondContact NH2-OE2 3.08Å; R52-E56 WeakPolarHBondContact O-CB 3.31Å; R52-E56 PolarHBondContact O-N 2.8Å |
| 53 | S | 93.1 | Very high | 91.1 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.9 | -38.6 | 177.1 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | E49 T50 I51 E56 I57 | E49-S53 VanDerWaalsContact O-CB 3.27Å; E49-S53 WeakPolarHBondContact O-CB 3.38Å; E49-S53 PolarHBondContact O-N 3.48Å; E49-S53 PolarHBondContact O-OG 2.92Å; T50-S53 PolarHBondContact O-N 3.12Å; I51-S53 VanDerWaalsContact C-N 3.33Å; I51-S53 PolarHBondContact O-N 2.94Å; S53-E56 PolarHBondContact O-N 2.96Å; S53-I57 WeakPolarHBondContact O-CB 3.46Å; S53-I57 WeakPolarHBondContact O-CD1 3.38Å; S53-I57 WeakPolarHBondContact O-CG1 3.43Å; S53-I57 PolarHBondContact O-N 2.97Å |
| 54 | I | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.7 | -45.2 | 175 | -70.3 | 162 | 0 | 0 | 0 | 110.7 | L26 L29 L33 T50 I51 E56 I57 L58 F72 M77 F81 | L26-I54 HydrophobicContact CD1-CB 4.42Å; L26-I54 HydrophobicContact CD1-CG1 3.92Å; L26-I54 HydrophobicContact CD1-CG2 4.01Å; L29-I54 HydrophobicContact CB-CD1 4.08Å; L29-I54 HydrophobicContact CB-CG1 3.86Å; L29-I54 HydrophobicContact CD1-CG1 3.93Å; L33-I54 HydrophobicContact CD1-CD1 3.46Å; L33-I54 VanDerWaalsContact CD1-CD1 3.46Å; L33-I54 HydrophobicContact CG-CD1 4.15Å; T50-I54 HydrophobicContact CG2-CD1 3.98Å; T50-I54 WeakPolarHBondContact O-CD1 3.43Å; T50-I54 VanDerWaalsContact O-CG1 3.23Å; T50-I54 WeakPolarHBondContact O-CG1 3.2Å; T50-I54 PolarHBondContact O-N 3.06Å; I51-I54 PolarHBondContact O-N 3.4Å; I51-I54 VanDerWaalsContact O-N 3.16Å; I54-E56 PolarHBondContact O-N 2.96Å; I54-I57 PolarHBondContact O-N 2.83Å; I54-L58 HydrophobicContact CG2-CD1 4.09Å; I54-L58 HydrophobicContact CG2-CG 4.38Å; I54-L58 WeakPolarHBondContact O-CG 3.39Å; I54-L58 PolarHBondContact O-N 3.05Å; I54-F72 HydrophobicContact CG2-CD2 4.1Å; I54-F72 HydrophobicContact CG2-CE2 3.79Å; I54-M77 HydrophobicContact CD1-CE 3.74Å; I54-M77 HydrophobicContact CG1-CE 4.23Å; I54-M77 HydrophobicContact CG2-CE 4.49Å; I54-F81 HydrophobicContact CB-CZ 4.22Å; I54-F81 HydrophobicContact CD1-CE1 4.48Å; I54-F81 HydrophobicContact CG2-CE1 4.23Å; I54-F81 HydrophobicContact CG2-CZ 3.85Å |
| 55 | T | 92.1 | Very high | 91 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 175.7 | -79.9 | 0 | 0 | 0 | 0 | 112.2 | I51 R52 I57 L58 I59 T100 L104 | I51-T55 PolarHBondContact O-N 3.04Å; R52-T55 PolarHBondContact O-N 3.01Å; T55-I57 VanDerWaalsContact C-N 3.29Å; T55-I57 PolarHBondContact O-N 3.36Å; T55-L58 PolarHBondContact O-N 2.93Å; T55-L58 VanDerWaalsContact O-N 3.15Å; T55-I59 HydrophobicContact CG2-CD1 3.66Å; T55-I59 HydrophobicContact CG2-CG1 4.31Å; T55-I59 WeakPolarHBondContact O-CG1 3.38Å; T55-I59 PolarHBondContact O-N 3.12Å; T55-T100 VanDerWaalsContact CB-CG2 3.49Å; T55-T100 HydrophobicContact CG2-CG2 3.89Å; T55-T100 WeakPolarHBondContact OG1-CG2 3.33Å; T55-L104 HydrophobicContact CG2-CB 3.85Å; T55-L104 HydrophobicContact CG2-CD1 4.11Å |
| 56 | E | 92.3 | Very high | 90.8 | Very high | 66 Ų | 66 | 40 Ų | 40 | 31% | 0.308 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.8 | -36.8 | 175.9 | -170.3 | -178.6 | 169.1 | 0 | 0 | 112.1 | H21 R52 S53 I54 W60 | H21-E56 IonicContact CE1-OE1 2.76Å; H21-E56 PolarHBondContact CE1-OE1 2.96Å; R52-E56 IonicContact CZ-OE2 3.68Å; R52-E56 IonicContact NH1-OE2 2.08Å; R52-E56 PolarHBondContact NH1-OE2 3.45Å; R52-E56 IonicContact NH2-OE2 3.47Å; R52-E56 PolarHBondContact NH2-OE2 3.08Å; R52-E56 WeakPolarHBondContact O-CB 3.31Å; R52-E56 PolarHBondContact O-N 2.8Å; S53-E56 PolarHBondContact O-N 2.96Å; I54-E56 PolarHBondContact O-N 2.96Å; E56-W60 PolarHBondContact O-N 3.23Å |
| 57 | I | 92.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.6 | -38.1 | 173 | -66 | 162 | 0 | 0 | 0 | 111.6 | I20 H25 L26 L29 S53 I54 T55 G61 V68 | I20-I57 WeakPolarHBondContact O-CG1 3.43Å; H25-I57 HydrophobicContact CB-CD1 4.4Å; L26-I57 HydrophobicContact CB-CG2 4.33Å; L29-I57 HydrophobicContact CD1-CD1 3.49Å; L29-I57 VanDerWaalsContact CD1-CD1 3.49Å; S53-I57 WeakPolarHBondContact O-CB 3.46Å; S53-I57 WeakPolarHBondContact O-CD1 3.38Å; S53-I57 WeakPolarHBondContact O-CG1 3.43Å; S53-I57 PolarHBondContact O-N 2.97Å; I54-I57 PolarHBondContact O-N 2.83Å; T55-I57 VanDerWaalsContact C-N 3.29Å; T55-I57 PolarHBondContact O-N 3.36Å; I57-G61 PolarHBondContact O-N 3.1Å; I57-V68 HydrophobicContact CG2-CG1 3.62Å |
| 58 | L | 92.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.5 | -46.8 | 177.4 | -74.6 | 171.3 | 0 | 0 | 0 | 112.2 | I54 T55 W60 G61 D62 V68 F69 F72 L104 | I54-L58 HydrophobicContact CG2-CD1 4.09Å; I54-L58 HydrophobicContact CG2-CG 4.38Å; I54-L58 WeakPolarHBondContact O-CG 3.39Å; I54-L58 PolarHBondContact O-N 3.05Å; T55-L58 PolarHBondContact O-N 2.93Å; T55-L58 VanDerWaalsContact O-N 3.15Å; L58-W60 VanDerWaalsContact C-N 3.28Å; L58-W60 PolarHBondContact O-N 3.34Å; L58-G61 PolarHBondContact O-N 3.5Å; L58-G61 VanDerWaalsContact O-N 3.17Å; L58-D62 PolarHBondContact O-N 3.18Å; L58-V68 HydrophobicContact CD2-CG1 4.36Å; L58-F69 HydrophobicContact CB-CE2 4.44Å; L58-F69 HydrophobicContact CB-CZ 4.28Å; L58-F69 HydrophobicContact CD2-CD1 4.24Å; L58-F69 HydrophobicContact CD2-CD2 4.3Å; L58-F69 HydrophobicContact CD2-CE1 4.03Å; L58-F69 HydrophobicContact CD2-CE2 4.09Å; L58-F69 HydrophobicContact CD2-CG 4.38Å; L58-F69 HydrophobicContact CD2-CZ 3.95Å; L58-F69 WeakPolarHBondContact O-CE2 3.47Å; L58-F72 HydrophobicContact CD1-CD2 3.97Å; L58-F72 HydrophobicContact CD1-CE1 4.39Å; L58-F72 HydrophobicContact CD1-CE2 3.68Å; L58-F72 HydrophobicContact CD1-CG 4.47Å; L58-F72 HydrophobicContact CD1-CZ 3.91Å; L58-F72 HydrophobicContact CD2-CB 4.03Å; L58-F72 HydrophobicContact CD2-CD1 4.25Å; L58-F72 HydrophobicContact CD2-CD2 3.87Å; L58-F72 HydrophobicContact CD2-CE2 4.43Å; L58-F72 HydrophobicContact CD2-CG 3.8Å; L58-F72 HydrophobicContact CG-CD2 4.28Å; L58-F72 HydrophobicContact CG-CE2 4.47Å; L58-L104 HydrophobicContact CB-CD1 3.78Å; L58-L104 HydrophobicContact CD1-CD1 3.95Å; L58-L104 HydrophobicContact CD1-CD2 4.23Å |
| 59 | I | 91.6 | Very high | 90.5 | Very high | 31 Ų | 31 | 37.9 Ų | 37.9 | 16% | 0.159 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 178.7 | -65.6 | 165.3 | 0 | 0 | 0 | 110.4 | T55 I103 L104 N107 | T55-I59 HydrophobicContact CG2-CD1 3.66Å; T55-I59 HydrophobicContact CG2-CG1 4.31Å; T55-I59 WeakPolarHBondContact O-CG1 3.38Å; T55-I59 PolarHBondContact O-N 3.12Å; I59-I103 HydrophobicContact CD1-CG2 3.9Å; I59-L104 HydrophobicContact CG1-CD1 4.11Å; I59-N107 HydrophobicContact CD1-CB 4.01Å; I59-N107 HydrophobicContact CG1-CB 4.12Å; I59-N107 HydrophobicContact CG2-CB 3.81Å |
| 60 | W | 91.3 | Very high | 90.3 | Very high | 89 Ų | 89 | 37.9 Ų | 37.9 | 34% | 0.337 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.2 | -44.7 | 173.5 | -175.5 | 86.6 | 0 | 0 | 0 | 112.2 | H21 E56 L58 D62 Q63 N64 D65 | H21-W60 HydrophobicContact CB-CB 3.93Å; H21-W60 HydrophobicContact CB-CD2 3.34Å; H21-W60 HydrophobicContact CB-CE3 3.52Å; H21-W60 HydrophobicContact CB-CG 3.51Å; H21-W60 HydrophobicContact CB-CZ3 4.24Å; H21-W60 AromaticContact CG-CD1 3.94Å; H21-W60 AromaticContact CG-CG 3.65Å; E56-W60 PolarHBondContact O-N 3.23Å; L58-W60 VanDerWaalsContact C-N 3.28Å; L58-W60 PolarHBondContact O-N 3.34Å; W60-D62 VanDerWaalsContact C-N 3.33Å; W60-D62 PolarHBondContact O-N 2.61Å; W60-Q63 PolarHBondContact O-N 2.83Å; W60-N64 HydrophobicContact CD2-CB 3.89Å; W60-N64 HydrophobicContact CE3-CB 4.05Å; W60-N64 HydrophobicContact CH2-CB 3.68Å; W60-N64 HydrophobicContact CZ2-CB 3.5Å; W60-N64 VanDerWaalsContact CZ2-CB 3.5Å; W60-N64 HydrophobicContact CZ3-CB 3.96Å; W60-N64 WeakPolarHBondContact O-CB 3.23Å; W60-N64 PolarHBondContact O-N 3.48Å; W60-N64 VanDerWaalsContact O-N 3.09Å; W60-N64 PolarHBondContact O-ND2 2.87Å; W60-D65 HydrophobicContact CH2-CB 4.3Å; W60-D65 HydrophobicContact CZ3-CB 3.75Å |
| 61 | G | 89.4 | Confident | 90.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -36.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I57 L58 Q63 N64 D65 | I57-G61 PolarHBondContact O-N 3.1Å; L58-G61 PolarHBondContact O-N 3.5Å; L58-G61 VanDerWaalsContact O-N 3.17Å; G61-Q63 PolarHBondContact O-N 2.93Å; G61-N64 PolarHBondContact O-N 2.76Å; G61-D65 CarbonylContact O-C 3.57Å; G61-D65 PolarHBondContact O-N 2.94Å; G61-D65 VanDerWaalsContact O-O 3.1Å |
| 62 | D | 90.3 | Very high | 90.2 | Very high | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -49.8 | -44.7 | 175.6 | -171 | 57.6 | 0 | 0 | 0 | 111.6 | L58 W60 F69 S109 H110 S113 | L58-D62 PolarHBondContact O-N 3.18Å; W60-D62 VanDerWaalsContact C-N 3.33Å; W60-D62 PolarHBondContact O-N 2.61Å; D62-F69 HydrophobicContact CB-CE2 3.85Å; D62-F69 HydrophobicContact CB-CZ 4.47Å; D62-S109 WeakPolarHBondContact OD2-CA 3.24Å; D62-S109 PolarHBondContact OD2-N 2.86Å; D62-S109 PolarHBondContact OD2-OG 2.83Å; D62-H110 PolarHBondContact O-CD2 3.06Å; D62-H110 IonicContact OD2-CD2 3.03Å; D62-H110 PolarHBondContact OD2-N 2.9Å; D62-H110 VanDerWaalsContact OD2-N 3.11Å; D62-S113 WeakPolarHBondContact OD1-CB 3.46Å; D62-S113 PolarHBondContact OD1-OG 2.78Å |
| 63 | Q | 87.4 | Confident | 90 | Very high | 113 Ų | 113 | 36.5 Ų | 36.5 | 53% | 0.528 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -96.9 | -15.5 | -172.8 | -61.4 | 171.1 | 13 | 0 | 0 | 113.7 | W60 G61 | W60-Q63 PolarHBondContact O-N 2.83Å; G61-Q63 PolarHBondContact O-N 2.93Å |
| 64 | N | 87.6 | Confident | 89.8 | Confident | 95 Ų | 95 | 41.9 Ų | 41.9 | 51% | 0.508 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -131.3 | -28.1 | -167.1 | -62.6 | -96.1 | 0 | 0 | 0 | 115.7 | W60 G61 | W60-N64 HydrophobicContact CD2-CB 3.89Å; W60-N64 HydrophobicContact CE3-CB 4.05Å; W60-N64 HydrophobicContact CH2-CB 3.68Å; W60-N64 HydrophobicContact CZ2-CB 3.5Å; W60-N64 VanDerWaalsContact CZ2-CB 3.5Å; W60-N64 HydrophobicContact CZ3-CB 3.96Å; W60-N64 WeakPolarHBondContact O-CB 3.23Å; W60-N64 PolarHBondContact O-N 3.48Å; W60-N64 VanDerWaalsContact O-N 3.09Å; W60-N64 PolarHBondContact O-ND2 2.87Å; G61-N64 PolarHBondContact O-N 2.76Å |
| 65 | D | 87.4 | Confident | 89.7 | Confident | 52 Ų | 52 | 44.7 Ų | 44.7 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | trans | -157.7 | 97.8 | -172.9 | -178.6 | 2 | 0 | 0 | 0 | 111.7 | W60 G61 S67 V68 | W60-D65 HydrophobicContact CH2-CB 4.3Å; W60-D65 HydrophobicContact CZ3-CB 3.75Å; G61-D65 CarbonylContact O-C 3.57Å; G61-D65 PolarHBondContact O-N 2.94Å; G61-D65 VanDerWaalsContact O-O 3.1Å; D65-S67 VanDerWaalsContact CG-OG 3.3Å; D65-S67 PolarHBondContact O-N 2.86Å; D65-S67 VanDerWaalsContact OD1-CB 3.27Å; D65-S67 WeakPolarHBondContact OD1-CB 3.44Å; D65-S67 PolarHBondContact OD1-N 2.77Å; D65-S67 PolarHBondContact OD1-OG 2.87Å; D65-S67 PolarHBondContact OD2-OG 2.97Å; D65-V68 HydrophobicContact CB-CG2 4Å; D65-V68 VanDerWaalsContact O-CB 3.31Å; D65-V68 WeakPolarHBondContact O-CB 3.23Å; D65-V68 WeakPolarHBondContact O-CG2 3.26Å; D65-V68 PolarHBondContact O-N 3.4Å | ||
| 66 | S | 85.1 | Confident | 89.5 | Confident | 85 Ų | 85 | 48 Ų | 48 | 59% | 0.594 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.1 | -23.7 | 179.8 | 68 | 0 | 0 | 0 | 0 | 113.6 | V68 F69 D70 | S66-V68 PolarHBondContact O-N 2.97Å; S66-V68 VanDerWaalsContact O-N 3.15Å; S66-F69 PolarHBondContact O-N 2.94Å; S66-D70 PolarHBondContact O-N 2.81Å |
| 67 | S | 88.4 | Confident | 89.5 | Confident | 38 Ų | 38 | 44.9 Ų | 44.9 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.7 | -19.9 | -178.8 | 78.2 | 0 | 0 | 0 | 0 | 112.8 | D65 F71 | D65-S67 VanDerWaalsContact CG-OG 3.3Å; D65-S67 PolarHBondContact O-N 2.86Å; D65-S67 VanDerWaalsContact OD1-CB 3.27Å; D65-S67 WeakPolarHBondContact OD1-CB 3.44Å; D65-S67 PolarHBondContact OD1-N 2.77Å; D65-S67 PolarHBondContact OD1-OG 2.87Å; D65-S67 PolarHBondContact OD2-OG 2.97Å; S67-F71 WeakPolarHBondContact O-CB 3.45Å; S67-F71 PolarHBondContact O-N 3.15Å; S67-F71 VanDerWaalsContact O-N 3.11Å |
| 68 | V | 89.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -47.4 | 169 | 178 | 0 | 0 | 0 | 0 | 110.9 | L26 I57 L58 D65 S66 F72 | L26-V68 HydrophobicContact CD2-CG1 3.85Å; I57-V68 HydrophobicContact CG2-CG1 3.62Å; L58-V68 HydrophobicContact CD2-CG1 4.36Å; D65-V68 HydrophobicContact CB-CG2 4Å; D65-V68 VanDerWaalsContact O-CB 3.31Å; D65-V68 WeakPolarHBondContact O-CB 3.23Å; D65-V68 WeakPolarHBondContact O-CG2 3.26Å; D65-V68 PolarHBondContact O-N 3.4Å; S66-V68 PolarHBondContact O-N 2.97Å; S66-V68 VanDerWaalsContact O-N 3.15Å; V68-F72 WeakPolarHBondContact O-CB 3.48Å; V68-F72 PolarHBondContact O-N 2.91Å |
| 69 | F | 88.1 | Confident | 89.2 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70 | -43.5 | 176.7 | -92 | -88.7 | 0 | 0 | 0 | 111.7 | L58 D62 S66 F71 F72 L73 I108 L117 | L58-F69 HydrophobicContact CB-CE2 4.44Å; L58-F69 HydrophobicContact CB-CZ 4.28Å; L58-F69 HydrophobicContact CD2-CD1 4.24Å; L58-F69 HydrophobicContact CD2-CD2 4.3Å; L58-F69 HydrophobicContact CD2-CE1 4.03Å; L58-F69 HydrophobicContact CD2-CE2 4.09Å; L58-F69 HydrophobicContact CD2-CG 4.38Å; L58-F69 HydrophobicContact CD2-CZ 3.95Å; L58-F69 WeakPolarHBondContact O-CE2 3.47Å; D62-F69 HydrophobicContact CB-CE2 3.85Å; D62-F69 HydrophobicContact CB-CZ 4.47Å; S66-F69 PolarHBondContact O-N 2.94Å; F69-F71 VanDerWaalsContact C-N 3.3Å; F69-F71 PolarHBondContact O-N 3.29Å; F69-F72 PolarHBondContact O-N 3.43Å; F69-F72 VanDerWaalsContact O-N 3.15Å; F69-L73 WeakPolarHBondContact O-CB 3.39Å; F69-L73 VanDerWaalsContact O-CG 3.25Å; F69-L73 WeakPolarHBondContact O-CG 3.36Å; F69-L73 PolarHBondContact O-N 3.46Å; F69-I108 HydrophobicContact CZ-CD1 4.06Å; F69-L117 HydrophobicContact CE1-CD1 4.4Å; F69-L117 HydrophobicContact CE1-CD2 4.33Å; F69-L117 HydrophobicContact CE1-CG 4.25Å |
| 70 | D | 87.6 | Confident | 89.1 | Confident | 90 Ų | 90 | 46.8 Ų | 46.8 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -52.8 | -49.1 | 177 | -65.7 | -40.1 | 0 | 0 | 0 | 111 | S66 L73 E74 | S66-D70 PolarHBondContact O-N 2.81Å; D70-L73 PolarHBondContact O-N 3.47Å; D70-E74 VanDerWaalsContact O-CB 3.3Å; D70-E74 WeakPolarHBondContact O-CB 3.47Å; D70-E74 PolarHBondContact O-N 3.23Å |
| 71 | F | 91.8 | Very high | 89 | Confident | 28 Ų | 28 | 42.6 Ų | 42.6 | 12% | 0.123 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68 | -40.8 | 177.6 | 179.7 | -94.9 | 0 | 0 | 0 | 113.4 | L23 L26 K27 Y30 S67 F69 L73 E74 K75 M77 | L23-F71 HydrophobicContact CD1-CB 3.48Å; L23-F71 VanDerWaalsContact CD1-CB 3.48Å; L23-F71 HydrophobicContact CD1-CD1 4.03Å; L23-F71 HydrophobicContact CD1-CD2 4.36Å; L23-F71 HydrophobicContact CD1-CG 3.7Å; L26-F71 HydrophobicContact CD2-CD1 3.85Å; L26-F71 HydrophobicContact CG-CD1 3.95Å; L26-F71 HydrophobicContact CG-CE1 4.19Å; K27-F71 HydrophobicContact CB-CZ 4.23Å; K27-F71 HydrophobicContact CG-CD2 4.43Å; K27-F71 HydrophobicContact CG-CE1 3.94Å; K27-F71 HydrophobicContact CG-CE2 3.78Å; K27-F71 HydrophobicContact CG-CZ 3.51Å; Y30-F71 HydrophobicContact CD1-CZ 4.39Å; S67-F71 WeakPolarHBondContact O-CB 3.45Å; S67-F71 PolarHBondContact O-N 3.15Å; S67-F71 VanDerWaalsContact O-N 3.11Å; F69-F71 VanDerWaalsContact C-N 3.3Å; F69-F71 PolarHBondContact O-N 3.29Å; F71-L73 VanDerWaalsContact C-N 3.25Å; F71-L73 PolarHBondContact O-N 3.47Å; F71-E74 PolarHBondContact O-N 3.46Å; F71-K75 HydrophobicContact CD1-CG 4.47Å; F71-K75 HydrophobicContact CD2-CG 4.15Å; F71-K75 HydrophobicContact CE1-CG 4.05Å; F71-K75 HydrophobicContact CE2-CD 4.24Å; F71-K75 VanDerWaalsContact CE2-CE 3.44Å; F71-K75 HydrophobicContact CE2-CG 3.7Å; F71-K75 HydrophobicContact CZ-CG 3.63Å; F71-K75 WeakPolarHBondContact O-CG 3.16Å; F71-K75 PolarHBondContact O-N 3.14Å; F71-M77 HydrophobicContact CD1-SD 4.24Å; F71-M77 HydrophobicContact CE1-SD 3.98Å |
| 72 | F | 91.2 | Very high | 88.9 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.5 | -40.1 | 177.5 | 179.1 | -91.6 | 0 | 0 | 0 | 111.7 | L26 I54 L58 V68 F69 N76 M77 F78 F81 L117 | L26-F72 HydrophobicContact CD2-CB 4.38Å; I54-F72 HydrophobicContact CG2-CD2 4.1Å; I54-F72 HydrophobicContact CG2-CE2 3.79Å; L58-F72 HydrophobicContact CD1-CD2 3.97Å; L58-F72 HydrophobicContact CD1-CE1 4.39Å; L58-F72 HydrophobicContact CD1-CE2 3.68Å; L58-F72 HydrophobicContact CD1-CG 4.47Å; L58-F72 HydrophobicContact CD1-CZ 3.91Å; L58-F72 HydrophobicContact CD2-CB 4.03Å; L58-F72 HydrophobicContact CD2-CD1 4.25Å; L58-F72 HydrophobicContact CD2-CD2 3.87Å; L58-F72 HydrophobicContact CD2-CE2 4.43Å; L58-F72 HydrophobicContact CD2-CG 3.8Å; L58-F72 HydrophobicContact CG-CD2 4.28Å; L58-F72 HydrophobicContact CG-CE2 4.47Å; V68-F72 WeakPolarHBondContact O-CB 3.48Å; V68-F72 PolarHBondContact O-N 2.91Å; F69-F72 PolarHBondContact O-N 3.43Å; F69-F72 VanDerWaalsContact O-N 3.15Å; F72-N76 PolarHBondContact O-N 3.23Å; F72-M77 HydrophobicContact CD2-CB 3.42Å; F72-M77 VanDerWaalsContact CD2-CB 3.42Å; F72-M77 HydrophobicContact CD2-CE 4.49Å; F72-M77 HydrophobicContact CD2-CG 4.14Å; F72-M77 HydrophobicContact CD2-SD 4.04Å; F72-M77 HydrophobicContact CE2-CB 3.41Å; F72-M77 VanDerWaalsContact CE2-CB 3.41Å; F72-M77 HydrophobicContact CG-CB 4.03Å; F72-M77 HydrophobicContact CZ-CB 4.05Å; F72-M77 PolarHBondContact O-N 2.8Å; F72-F78 HydrophobicContact CE1-CB 3.83Å; F72-F78 HydrophobicContact CE1-CD2 4.03Å; F72-F78 HydrophobicContact CE1-CG 4.45Å; F72-F78 HydrophobicContact CZ-CB 3.75Å; F72-F78 AromaticContact CZ-CD2 3.88Å; F72-F78 HydrophobicContact CZ-CD2 3.88Å; F72-F78 HydrophobicContact CZ-CG 4.29Å; F72-F81 HydrophobicContact CE2-CE1 4.41Å; F72-L117 HydrophobicContact CD1-CD2 4.47Å; F72-L117 HydrophobicContact CE1-CD2 3.82Å |
| 73 | L | 86.6 | Confident | 88.9 | Confident | 37 Ų | 37 | 45.5 Ų | 45.5 | 19% | 0.194 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -75 | -45.8 | 177 | -63.7 | 167.1 | 0 | 0 | 0 | 111.6 | F69 D70 F71 K75 N76 Y116 | F69-L73 WeakPolarHBondContact O-CB 3.39Å; F69-L73 VanDerWaalsContact O-CG 3.25Å; F69-L73 WeakPolarHBondContact O-CG 3.36Å; F69-L73 PolarHBondContact O-N 3.46Å; D70-L73 PolarHBondContact O-N 3.47Å; F71-L73 VanDerWaalsContact C-N 3.25Å; F71-L73 PolarHBondContact O-N 3.47Å; L73-K75 PolarHBondContact O-N 2.84Å; L73-K75 VanDerWaalsContact O-N 3.17Å; L73-N76 PolarHBondContact O-N 2.77Å; L73-Y116 HydrophobicContact CD1-CD1 4.27Å; L73-Y116 HydrophobicContact CD1-CD2 3.59Å; L73-Y116 HydrophobicContact CD1-CE2 4.27Å; L73-Y116 HydrophobicContact CD1-CG 3.59Å |
| 74 | E | 89.8 | Confident | 88.9 | Confident | 125 Ų | 125 | 40.3 Ų | 40.3 | 58% | 0.584 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -56.2 | -34.4 | 177.9 | -160.1 | -129.5 | 144.4 | 0 | 0 | 112.2 | D70 F71 | D70-E74 VanDerWaalsContact O-CB 3.3Å; D70-E74 WeakPolarHBondContact O-CB 3.47Å; D70-E74 PolarHBondContact O-N 3.23Å; F71-E74 PolarHBondContact O-N 3.46Å |
| 75 | K | 90.9 | Very high | 88.9 | Confident | 60 Ų | 60 | 35.9 Ų | 35.9 | 26% | 0.261 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 7.5 | 176.8 | -51.8 | -49.1 | 174.6 | -165.2 | 0 | 114.4 | Y30 F71 L73 M77 | Y30-K75 HydrophobicContact CD2-CB 4.08Å; Y30-K75 HydrophobicContact CE1-CB 4.47Å; Y30-K75 HydrophobicContact CE1-CG 4.33Å; Y30-K75 HydrophobicContact CE2-CB 3.7Å; Y30-K75 HydrophobicContact CE2-CG 4.41Å; F71-K75 HydrophobicContact CD1-CG 4.47Å; F71-K75 HydrophobicContact CD2-CG 4.15Å; F71-K75 HydrophobicContact CE1-CG 4.05Å; F71-K75 HydrophobicContact CE2-CD 4.24Å; F71-K75 VanDerWaalsContact CE2-CE 3.44Å; F71-K75 HydrophobicContact CE2-CG 3.7Å; F71-K75 HydrophobicContact CZ-CG 3.63Å; F71-K75 WeakPolarHBondContact O-CG 3.16Å; F71-K75 PolarHBondContact O-N 3.14Å; L73-K75 PolarHBondContact O-N 2.84Å; L73-K75 VanDerWaalsContact O-N 3.17Å; K75-M77 HydrophobicContact CB-CG 3.86Å; K75-M77 PolarHBondContact O-N 2.88Å; K75-M77 VanDerWaalsContact O-N 3.17Å |
| 76 | N | 88 | Confident | 88.8 | Confident | 74 Ų | 74 | 40.2 Ų | 40.2 | 40% | 0.396 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 38.6 | -179 | -73 | -83.9 | 0 | 0 | 0 | 113.5 | F72 L73 F78 V79 | F72-N76 PolarHBondContact O-N 3.23Å; L73-N76 PolarHBondContact O-N 2.77Å; N76-F78 PolarHBondContact O-N 2.82Å; N76-V79 WeakPolarHBondContact O-CB 3.45Å; N76-V79 VanDerWaalsContact O-CG1 3.29Å; N76-V79 WeakPolarHBondContact O-CG1 3.5Å; N76-V79 PolarHBondContact O-N 3.35Å |
| 77 | M | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25.9 | -165.7 | -68.9 | -170.9 | 59.2 | 0 | 0 | 113.9 | L26 Y30 L33 I54 F71 F72 K75 V79 F80 | L26-M77 HydrophobicContact CD1-CE 3.61Å; L26-M77 HydrophobicContact CD1-SD 3.95Å; L26-M77 HydrophobicContact CG-CE 4.36Å; L26-M77 HydrophobicContact CG-SD 4.14Å; Y30-M77 HydrophobicContact CD2-CE 4.21Å; Y30-M77 HydrophobicContact CD2-CG 3.82Å; Y30-M77 HydrophobicContact CD2-SD 4.04Å; Y30-M77 HydrophobicContact CE2-CG 4.39Å; Y30-M77 HydrophobicContact CG-CE 4.46Å; Y30-M77 HydrophobicContact CG-SD 4.31Å; L33-M77 HydrophobicContact CD1-CE 4.39Å; I54-M77 HydrophobicContact CD1-CE 3.74Å; I54-M77 HydrophobicContact CG1-CE 4.23Å; I54-M77 HydrophobicContact CG2-CE 4.49Å; F71-M77 HydrophobicContact CD1-SD 4.24Å; F71-M77 HydrophobicContact CE1-SD 3.98Å; F72-M77 HydrophobicContact CD2-CB 3.42Å; F72-M77 VanDerWaalsContact CD2-CB 3.42Å; F72-M77 HydrophobicContact CD2-CE 4.49Å; F72-M77 HydrophobicContact CD2-CG 4.14Å; F72-M77 HydrophobicContact CD2-SD 4.04Å; F72-M77 HydrophobicContact CE2-CB 3.41Å; F72-M77 VanDerWaalsContact CE2-CB 3.41Å; F72-M77 HydrophobicContact CG-CB 4.03Å; F72-M77 HydrophobicContact CZ-CB 4.05Å; F72-M77 PolarHBondContact O-N 2.8Å; K75-M77 HydrophobicContact CB-CG 3.86Å; K75-M77 PolarHBondContact O-N 2.88Å; K75-M77 VanDerWaalsContact O-N 3.17Å; M77-V79 PolarHBondContact O-N 3.48Å; M77-F80 WeakPolarHBondContact O-CB 3.16Å; M77-F80 WeakPolarHBondContact O-CD2 3.43Å; M77-F80 PolarHBondContact O-N 3.32Å |
| 78 | F | 89.7 | Confident | 88.2 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -27.5 | 174.7 | -154.7 | -80.9 | 0 | 0 | 0 | 113.2 | F72 N76 F80 F81 L82 L101 L104 F105 L117 Y122 V123 I126 | F72-F78 HydrophobicContact CE1-CB 3.83Å; F72-F78 HydrophobicContact CE1-CD2 4.03Å; F72-F78 HydrophobicContact CE1-CG 4.45Å; F72-F78 HydrophobicContact CZ-CB 3.75Å; F72-F78 AromaticContact CZ-CD2 3.88Å; F72-F78 HydrophobicContact CZ-CD2 3.88Å; F72-F78 HydrophobicContact CZ-CG 4.29Å; N76-F78 PolarHBondContact O-N 2.82Å; F78-F80 PolarHBondContact O-N 3.44Å; F78-F81 WeakPolarHBondContact O-CB 3.41Å; F78-F81 PolarHBondContact O-N 3.3Å; F78-F81 VanDerWaalsContact O-N 3.11Å; F78-L82 PolarHBondContact O-N 2.63Å; F78-L101 HydrophobicContact CE2-CD2 4.06Å; F78-L101 HydrophobicContact CZ-CD2 3.76Å; F78-L104 HydrophobicContact CE2-CD2 4.41Å; F78-F105 HydrophobicContact CE2-CE2 4.35Å; F78-F105 HydrophobicContact CE2-CZ 4.48Å; F78-F105 HydrophobicContact CZ-CE2 4.25Å; F78-F105 HydrophobicContact CZ-CZ 4.48Å; F78-L117 HydrophobicContact CD2-CD2 3.89Å; F78-L117 HydrophobicContact CE2-CD2 4.17Å; F78-Y122 HydrophobicContact CB-CD2 3.84Å; F78-Y122 HydrophobicContact CB-CE2 4.17Å; F78-Y122 AromaticContact CD1-CD2 3.59Å; F78-Y122 HydrophobicContact CD1-CD2 3.59Å; F78-Y122 AromaticContact CD1-CG 3.82Å; F78-Y122 HydrophobicContact CD1-CG 3.82Å; F78-Y122 HydrophobicContact CE1-CD2 4.5Å; F78-Y122 HydrophobicContact CE1-CG 4.43Å; F78-Y122 HydrophobicContact CG-CD2 4.04Å; F78-V123 HydrophobicContact CE1-CG2 4.49Å; F78-V123 HydrophobicContact CZ-CG2 4.14Å; F78-I126 HydrophobicContact CE1-CD1 3.69Å; F78-I126 HydrophobicContact CZ-CD1 4.16Å |
| 79 | V | 89.9 | Confident | 87.4 | Confident | 37 Ų | 37 | 48.6 Ų | 48.6 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.5 | -27.3 | 179.3 | 85.4 | 0 | 0 | 0 | 0 | 112.3 | N76 M77 F81 L82 N83 Y122 | N76-V79 WeakPolarHBondContact O-CB 3.45Å; N76-V79 VanDerWaalsContact O-CG1 3.29Å; N76-V79 WeakPolarHBondContact O-CG1 3.5Å; N76-V79 PolarHBondContact O-N 3.35Å; M77-V79 PolarHBondContact O-N 3.48Å; V79-F81 VanDerWaalsContact C-N 3.33Å; V79-F81 PolarHBondContact O-N 2.82Å; V79-L82 PolarHBondContact O-N 2.85Å; V79-N83 WeakPolarHBondContact O-CB 3.46Å; V79-N83 PolarHBondContact O-N 2.76Å; V79-N83 PolarHBondContact O-ND2 3.43Å; V79-Y122 HydrophobicContact CB-CE1 4.19Å; V79-Y122 HydrophobicContact CB-CE2 4.43Å; V79-Y122 HydrophobicContact CG2-CE1 3.79Å |
| 80 | F | 89.4 | Confident | 86.9 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 13% | 0.132 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.7 | -35.5 | 176 | -68.9 | -96.8 | 0 | 0 | 0 | 111.6 | Y30 L33 T37 M77 F78 N83 I84 | Y30-F80 HydrophobicContact CD2-CE2 4.41Å; Y30-F80 AromaticContact CE2-CE2 3.93Å; Y30-F80 HydrophobicContact CE2-CE2 3.93Å; Y30-F80 HydrophobicContact CE2-CZ 4.09Å; L33-F80 HydrophobicContact CB-CD1 3.83Å; L33-F80 HydrophobicContact CB-CE1 4.18Å; L33-F80 HydrophobicContact CB-CG 4.22Å; L33-F80 HydrophobicContact CD1-CB 3.94Å; L33-F80 HydrophobicContact CD1-CG 4.17Å; T37-F80 HydrophobicContact CG2-CE1 4.25Å; M77-F80 WeakPolarHBondContact O-CB 3.16Å; M77-F80 WeakPolarHBondContact O-CD2 3.43Å; M77-F80 PolarHBondContact O-N 3.32Å; F78-F80 PolarHBondContact O-N 3.44Å; F80-N83 PolarHBondContact O-N 3.23Å; F80-I84 WeakPolarHBondContact O-CB 3.42Å; F80-I84 WeakPolarHBondContact O-CD1 3.3Å; F80-I84 VanDerWaalsContact O-CG1 3.22Å; F80-I84 WeakPolarHBondContact O-CG1 3.29Å; F80-I84 PolarHBondContact O-N 2.9Å |
| 81 | F | 90.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -47.7 | 178.8 | -67.8 | 48.9 | 0 | 0 | 0 | 109.3 | I51 I54 F72 F78 V79 N83 I84 L85 L97 L101 | I51-F81 HydrophobicContact CG1-CE1 4.48Å; I51-F81 HydrophobicContact CG1-CZ 4.48Å; I51-F81 HydrophobicContact CG2-CD2 4.01Å; I51-F81 HydrophobicContact CG2-CE2 3.65Å; I51-F81 HydrophobicContact CG2-CZ 4.09Å; I54-F81 HydrophobicContact CB-CZ 4.22Å; I54-F81 HydrophobicContact CD1-CE1 4.48Å; I54-F81 HydrophobicContact CG2-CE1 4.23Å; I54-F81 HydrophobicContact CG2-CZ 3.85Å; F72-F81 HydrophobicContact CE2-CE1 4.41Å; F78-F81 WeakPolarHBondContact O-CB 3.41Å; F78-F81 PolarHBondContact O-N 3.3Å; F78-F81 VanDerWaalsContact O-N 3.11Å; V79-F81 VanDerWaalsContact C-N 3.33Å; V79-F81 PolarHBondContact O-N 2.82Å; F81-N83 PolarHBondContact O-N 3.34Å; F81-I84 PolarHBondContact O-N 3.34Å; F81-L85 WeakPolarHBondContact O-CB 3.48Å; F81-L85 PolarHBondContact O-N 3.36Å; F81-L97 HydrophobicContact CB-CD2 4.02Å; F81-L97 HydrophobicContact CD2-CD2 4.09Å; F81-L97 HydrophobicContact CG-CD2 4.32Å; F81-L101 HydrophobicContact CD2-CD2 4.08Å |
| 82 | L | 87.2 | Confident | 86.8 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 174.3 | 179.5 | 60.4 | 0 | 0 | 0 | 112.7 | F78 V79 L85 R86 Y122 I126 | F78-L82 PolarHBondContact O-N 2.63Å; V79-L82 PolarHBondContact O-N 2.85Å; L82-L85 PolarHBondContact O-N 2.99Å; L82-R86 HydrophobicContact CD1-CG 4.19Å; L82-R86 WeakPolarHBondContact O-CB 3.22Å; L82-R86 VanDerWaalsContact O-CG 3.26Å; L82-R86 WeakPolarHBondContact O-CG 3.23Å; L82-R86 PolarHBondContact O-N 2.8Å; L82-Y122 HydrophobicContact CD2-CD1 3.88Å; L82-I126 HydrophobicContact CD1-CG1 3.92Å |
| 83 | N | 88.8 | Confident | 86.6 | Confident | 71 Ų | 71 | 56 Ų | 56 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -71.6 | -32.3 | 178.8 | -73.5 | -20.7 | 0 | 0 | 0 | 113.1 | V79 F80 F81 Q87 | V79-N83 WeakPolarHBondContact O-CB 3.46Å; V79-N83 PolarHBondContact O-N 2.76Å; V79-N83 PolarHBondContact O-ND2 3.43Å; F80-N83 PolarHBondContact O-N 3.23Å; F81-N83 PolarHBondContact O-N 3.34Å; N83-Q87 WeakPolarHBondContact O-CG 3.44Å; N83-Q87 PolarHBondContact O-NE2 2.89Å |
| 84 | I | 88.6 | Confident | 86.8 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -74 | -36.4 | 174.2 | -69.7 | 166.7 | 0 | 0 | 0 | 110.2 | L33 V39 L47 I51 F80 F81 S89 V93 L97 | L33-I84 HydrophobicContact CD2-CD1 4.16Å; V39-I84 HydrophobicContact CG2-CB 4.34Å; V39-I84 HydrophobicContact CG2-CG1 4.31Å; V39-I84 HydrophobicContact CG2-CG2 3.77Å; L47-I84 HydrophobicContact CD1-CD1 4.42Å; L47-I84 HydrophobicContact CD2-CD1 4.05Å; I51-I84 HydrophobicContact CD1-CD1 3.83Å; I51-I84 HydrophobicContact CD1-CG2 4.34Å; F80-I84 WeakPolarHBondContact O-CB 3.42Å; F80-I84 WeakPolarHBondContact O-CD1 3.3Å; F80-I84 VanDerWaalsContact O-CG1 3.22Å; F80-I84 WeakPolarHBondContact O-CG1 3.29Å; F80-I84 PolarHBondContact O-N 2.9Å; F81-I84 PolarHBondContact O-N 3.34Å; I84-S89 PolarHBondContact O-OG 3.32Å; I84-S89 VanDerWaalsContact O-OG 3.13Å; I84-V93 HydrophobicContact CG2-CG1 3.65Å; I84-L97 HydrophobicContact CB-CD1 4.22Å; I84-L97 HydrophobicContact CG2-CD1 3.72Å |
| 85 | L | 87.4 | Confident | 86.9 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.6 | -40.3 | 173.8 | -168.6 | 67.4 | 0 | 0 | 0 | 112.8 | F81 L82 Q87 C94 L97 I126 H129 F131 | F81-L85 WeakPolarHBondContact O-CB 3.48Å; F81-L85 PolarHBondContact O-N 3.36Å; L82-L85 PolarHBondContact O-N 2.99Å; L85-Q87 PolarHBondContact O-N 3.35Å; L85-C94 HydrophobicContact CD1-CB 4.33Å; L85-L97 HydrophobicContact CB-CD1 4Å; L85-L97 HydrophobicContact CD1-CB 4.43Å; L85-L97 HydrophobicContact CD1-CD1 4.09Å; L85-I126 HydrophobicContact CD2-CB 4.44Å; L85-I126 HydrophobicContact CD2-CG1 4.18Å; L85-I126 HydrophobicContact CD2-CG2 3.91Å; L85-H129 HydrophobicContact CD2-CB 4.45Å; L85-F131 HydrophobicContact CD1-CE1 3.98Å; L85-F131 HydrophobicContact CD2-CE1 4.25Å; L85-F131 HydrophobicContact CD2-CZ 4.01Å |
| 86 | R | 85.8 | Confident | 86.9 | Confident | 143 Ų | 143 | 48.4 Ų | 48.4 | 54% | 0.54 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -9.6 | -179.8 | -77.9 | 175.4 | 173.9 | -176 | -1.1 | 114.6 | L82 | L82-R86 HydrophobicContact CD1-CG 4.19Å; L82-R86 WeakPolarHBondContact O-CB 3.22Å; L82-R86 VanDerWaalsContact O-CG 3.26Å; L82-R86 WeakPolarHBondContact O-CG 3.23Å; L82-R86 PolarHBondContact O-N 2.8Å |
| 87 | Q | 85.6 | Confident | 87.1 | Confident | 57 Ų | 57 | 45 Ų | 45 | 27% | 0.266 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -85.8 | 160.8 | 174.7 | -73.6 | 171.4 | 69.4 | 0 | 0 | 110.9 | T37 T38 V39 N83 L85 S89 | T37-Q87 PolarHBondContact O-NE2 3.41Å; T38-Q87 VanDerWaalsContact CA-OE1 3.27Å; V39-Q87 HydrophobicContact CG2-CB 4.46Å; N83-Q87 WeakPolarHBondContact O-CG 3.44Å; N83-Q87 PolarHBondContact O-NE2 2.89Å; L85-Q87 PolarHBondContact O-N 3.35Å; Q87-S89 PolarHBondContact O-N 2.87Å; Q87-S89 PolarHBondContact O-OG 2.92Å |
| 88 | K | 75.3 | Confident | 87.1 | Confident | 225 Ų | 225 | 45 Ų | 45 | 98% | 0.978 | 21% | 0.211 | S | C | * | . | trans | -75.3 | 61.8 | 168.8 | -65.8 | -169.4 | 176 | -170.5 | 0 | 110.4 | ||||
| 89 | S | 71.4 | Confident | 87.3 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 11% | 0.112 | 22% | 0.222 | C | C | . | . | trans | -81.8 | -13.5 | -171.8 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | I84 Q87 V93 | I84-S89 PolarHBondContact O-OG 3.32Å; I84-S89 VanDerWaalsContact O-OG 3.13Å; Q87-S89 PolarHBondContact O-N 2.87Å; Q87-S89 PolarHBondContact O-OG 2.92Å; S89-V93 WeakPolarHBondContact O-CG2 3.32Å | ||
| 90 | G | 78.7 | Confident | 87.5 | Confident | 41 Ų | 41 | 46 Ų | 46 | 42% | 0.423 | 21% | 0.213 | S | C | . | . | trans | 85.8 | 156.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y92 V93 C94 | G90-Y92 VanDerWaalsContact C-N 3.3Å; G90-Y92 PolarHBondContact O-N 3.3Å; G90-Y92 VanDerWaalsContact O-N 3.08Å; G90-V93 PolarHBondContact O-N 2.94Å; G90-C94 PolarHBondContact O-N 3.04Å | ||
| 91 | R | 87.6 | Confident | 87.6 | Confident | 132 Ų | 132 | 44.7 Ų | 44.7 | 50% | 0.498 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -35.7 | -57.3 | -174.8 | 178.3 | -170.7 | 178.1 | 132.5 | -7.1 | 113.2 | V93 C94 V95 D135 E137 I138 | R91-V93 VanDerWaalsContact C-N 3.32Å; R91-V93 PolarHBondContact O-N 3.21Å; R91-C94 PolarHBondContact O-N 3.42Å; R91-C94 VanDerWaalsContact O-N 3.16Å; R91-V95 HydrophobicContact CG-CG2 4Å; R91-V95 WeakPolarHBondContact O-CB 3.32Å; R91-V95 WeakPolarHBondContact O-CG2 3.25Å; R91-V95 PolarHBondContact O-N 2.69Å; R91-D135 WeakPolarHBondContact CD-OD2 3.41Å; R91-D135 WeakPolarHBondContact CG-OD2 3.49Å; R91-D135 IonicContact CZ-OD1 3.16Å; R91-D135 IonicContact CZ-OD2 3.1Å; R91-D135 IonicContact NE-OD1 3.14Å; R91-D135 IonicContact NE-OD2 3.09Å; R91-D135 PolarHBondContact NE-OD2 2.82Å; R91-D135 IonicContact NH1-OD1 2.7Å; R91-D135 PolarHBondContact NH1-OD1 2.78Å; R91-D135 IonicContact NH1-OD2 2.84Å; R91-D135 PolarHBondContact NH1-OD2 3.19Å; R91-D135 IonicContact NH2-OD1 3.92Å; R91-D135 PolarHBondContact NH2-OD1 3.13Å; R91-E137 IonicContact CZ-OE2 3.24Å; R91-E137 IonicContact NE-OE2 2.75Å; R91-E137 PolarHBondContact NE-OE2 2.67Å; R91-E137 IonicContact NH2-OE2 2.84Å; R91-E137 PolarHBondContact NH2-OE2 2.86Å; R91-I138 HydrophobicContact CG-CD1 4.38Å |
| 92 | Y | 88.4 | Confident | 87.8 | Confident | 109 Ų | 109 | 45.4 Ų | 45.4 | 43% | 0.427 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -52.5 | -44.2 | -177.2 | 174.9 | -112.3 | 0 | 0 | 0 | 113.7 | V48 G90 Q96 | V48-Y92 HydrophobicContact CB-CE1 4.37Å; V48-Y92 HydrophobicContact CG2-CD1 4.43Å; V48-Y92 HydrophobicContact CG2-CE1 3.92Å; G90-Y92 VanDerWaalsContact C-N 3.3Å; G90-Y92 PolarHBondContact O-N 3.3Å; G90-Y92 VanDerWaalsContact O-N 3.08Å; Y92-Q96 HydrophobicContact CD2-CG 4.01Å; Y92-Q96 HydrophobicContact CE2-CG 3.69Å; Y92-Q96 VanDerWaalsContact O-CB 3.31Å; Y92-Q96 WeakPolarHBondContact O-CB 3.49Å; Y92-Q96 WeakPolarHBondContact O-CG 3.31Å; Y92-Q96 PolarHBondContact O-N 3.11Å |
| 93 | V | 88.3 | Confident | 88.1 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.6 | -38.8 | -178.2 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | V39 R44 V48 I84 S89 G90 R91 L97 | V39-V93 HydrophobicContact CG1-CG2 4.34Å; R44-V93 HydrophobicContact CB-CG2 3.8Å; V48-V93 HydrophobicContact CG2-CG1 4.4Å; V48-V93 HydrophobicContact CG2-CG2 4.3Å; I84-V93 HydrophobicContact CG2-CG1 3.65Å; S89-V93 WeakPolarHBondContact O-CG2 3.32Å; G90-V93 PolarHBondContact O-N 2.94Å; R91-V93 VanDerWaalsContact C-N 3.32Å; R91-V93 PolarHBondContact O-N 3.21Å; V93-L97 HydrophobicContact CG1-CD1 4.19Å; V93-L97 VanDerWaalsContact O-CB 3.3Å; V93-L97 WeakPolarHBondContact O-CB 3.35Å; V93-L97 PolarHBondContact O-N 3.41Å |
| 94 | C | 90.1 | Very high | 88.4 | Confident | 17 Ų | 17 | 45 Ų | 45 | 12% | 0.115 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.4 | -46.7 | 176.3 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | L85 G90 R91 L97 L98 | L85-C94 HydrophobicContact CD1-CB 4.33Å; G90-C94 PolarHBondContact O-N 3.04Å; R91-C94 PolarHBondContact O-N 3.42Å; R91-C94 VanDerWaalsContact O-N 3.16Å; C94-L97 PolarHBondContact O-N 2.9Å; C94-L98 PolarHBondContact O-N 3.26Å |
| 95 | V | 91.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.6 | -52.1 | 175.6 | 163.9 | 0 | 0 | 0 | 0 | 110.7 | R91 L97 L98 Q99 E137 I138 Y141 | R91-V95 HydrophobicContact CG-CG2 4Å; R91-V95 WeakPolarHBondContact O-CB 3.32Å; R91-V95 WeakPolarHBondContact O-CG2 3.25Å; R91-V95 PolarHBondContact O-N 2.69Å; V95-L97 VanDerWaalsContact C-N 3.32Å; V95-L97 PolarHBondContact O-N 2.92Å; V95-L98 PolarHBondContact O-N 2.79Å; V95-Q99 WeakPolarHBondContact O-CB 3.46Å; V95-Q99 PolarHBondContact O-N 3.35Å; V95-E137 HydrophobicContact CG1-CG 4.18Å; V95-E137 HydrophobicContact CG2-CB 4.48Å; V95-E137 HydrophobicContact CG2-CG 3.87Å; V95-I138 HydrophobicContact CG2-CG1 3.82Å; V95-Y141 HydrophobicContact CG1-CD2 3.75Å; V95-Y141 HydrophobicContact CG1-CE2 3.55Å |
| 96 | Q | 91.3 | Very high | 89 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.2 | -32.1 | -178.4 | -69 | -66.6 | -73.3 | 0 | 0 | 112.6 | V48 Y92 T100 | V48-Q96 HydrophobicContact CB-CB 4.5Å; V48-Q96 HydrophobicContact CG1-CB 3.7Å; V48-Q96 HydrophobicContact CG1-CG 3.88Å; V48-Q96 HydrophobicContact CG2-CB 3.96Å; V48-Q96 HydrophobicContact CG2-CG 4.45Å; Y92-Q96 HydrophobicContact CD2-CG 4.01Å; Y92-Q96 HydrophobicContact CE2-CG 3.69Å; Y92-Q96 VanDerWaalsContact O-CB 3.31Å; Y92-Q96 WeakPolarHBondContact O-CB 3.49Å; Y92-Q96 WeakPolarHBondContact O-CG 3.31Å; Y92-Q96 PolarHBondContact O-N 3.11Å; Q96-T100 WeakPolarHBondContact O-CB 3.43Å; Q96-T100 PolarHBondContact O-N 2.92Å; Q96-T100 PolarHBondContact O-OG1 3.49Å |
| 97 | L | 92.1 | Very high | 89.3 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.3 | -50.6 | 170.7 | -94.4 | 165.7 | 0 | 0 | 0 | 112.1 | I51 F81 I84 L85 V93 C94 V95 T100 L101 | I51-L97 HydrophobicContact CD1-CD2 3.92Å; I51-L97 HydrophobicContact CD1-CG 4.3Å; I51-L97 HydrophobicContact CG2-CD2 4.11Å; F81-L97 HydrophobicContact CB-CD2 4.02Å; F81-L97 HydrophobicContact CD2-CD2 4.09Å; F81-L97 HydrophobicContact CG-CD2 4.32Å; I84-L97 HydrophobicContact CB-CD1 4.22Å; I84-L97 HydrophobicContact CG2-CD1 3.72Å; L85-L97 HydrophobicContact CB-CD1 4Å; L85-L97 HydrophobicContact CD1-CB 4.43Å; L85-L97 HydrophobicContact CD1-CD1 4.09Å; V93-L97 HydrophobicContact CG1-CD1 4.19Å; V93-L97 VanDerWaalsContact O-CB 3.3Å; V93-L97 WeakPolarHBondContact O-CB 3.35Å; V93-L97 PolarHBondContact O-N 3.41Å; C94-L97 PolarHBondContact O-N 2.9Å; V95-L97 VanDerWaalsContact C-N 3.32Å; V95-L97 PolarHBondContact O-N 2.92Å; L97-T100 PolarHBondContact O-N 2.72Å; L97-L101 WeakPolarHBondContact O-CB 3.38Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.25Å; L97-L101 PolarHBondContact O-N 2.67Å |
| 98 | L | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.4 | -47.1 | 178.5 | -76.4 | 172 | 0 | 0 | 0 | 111.4 | C94 V95 T100 L101 N102 F131 I138 Y142 F145 | C94-L98 PolarHBondContact O-N 3.26Å; V95-L98 PolarHBondContact O-N 2.79Å; L98-T100 PolarHBondContact O-N 2.7Å; L98-L101 PolarHBondContact O-N 2.93Å; L98-N102 WeakPolarHBondContact O-CB 3.47Å; L98-N102 PolarHBondContact O-N 2.8Å; L98-F131 HydrophobicContact CD1-CD1 4.1Å; L98-F131 HydrophobicContact CD1-CE1 3.67Å; L98-F131 HydrophobicContact CD1-CZ 4.31Å; L98-F131 HydrophobicContact CD2-CE1 3.9Å; L98-F131 HydrophobicContact CD2-CZ 3.78Å; L98-F131 HydrophobicContact CG-CE1 3.95Å; L98-F131 HydrophobicContact CG-CZ 4.35Å; L98-I138 HydrophobicContact CD1-CG2 4.13Å; L98-Y142 HydrophobicContact CD2-CD2 4.48Å; L98-F145 HydrophobicContact CD2-CD1 4.43Å |
| 99 | Q | 93.4 | Very high | 90.2 | Very high | 57 Ų | 57 | 36.8 Ų | 36.8 | 27% | 0.266 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.5 | -45.9 | 176 | -173.8 | 176.6 | 29.1 | 0 | 0 | 111.7 | V95 L101 N102 I103 Y141 | V95-Q99 WeakPolarHBondContact O-CB 3.46Å; V95-Q99 PolarHBondContact O-N 3.35Å; Q99-L101 PolarHBondContact O-N 3.42Å; Q99-N102 WeakPolarHBondContact O-CB 3.43Å; Q99-N102 PolarHBondContact O-N 2.77Å; Q99-I103 HydrophobicContact CG-CD1 4.02Å; Q99-I103 VanDerWaalsContact O-CG1 3.31Å; Q99-I103 WeakPolarHBondContact O-CG1 3.37Å; Q99-I103 PolarHBondContact O-N 3.03Å; Q99-Y141 HydrophobicContact CB-CD1 3.92Å; Q99-Y141 HydrophobicContact CB-CE1 3.84Å; Q99-Y141 HydrophobicContact CG-CD1 4.25Å; Q99-Y141 HydrophobicContact CG-CE1 3.75Å |
| 100 | T | 93.5 | Very high | 91.1 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.6 | -35.2 | 179.9 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | I51 T55 Q96 L97 L98 L104 | I51-T100 HydrophobicContact CG2-CG2 3.77Å; T55-T100 VanDerWaalsContact CB-CG2 3.49Å; T55-T100 HydrophobicContact CG2-CG2 3.89Å; T55-T100 WeakPolarHBondContact OG1-CG2 3.33Å; Q96-T100 WeakPolarHBondContact O-CB 3.43Å; Q96-T100 PolarHBondContact O-N 2.92Å; Q96-T100 PolarHBondContact O-OG1 3.49Å; L97-T100 PolarHBondContact O-N 2.72Å; L98-T100 PolarHBondContact O-N 2.7Å; T100-L104 WeakPolarHBondContact O-CB 3.36Å; T100-L104 PolarHBondContact O-N 3.36Å; T100-L104 VanDerWaalsContact O-N 3.12Å |
| 101 | L | 92.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.6 | -38.7 | 173.9 | -74 | 165.4 | 0 | 0 | 0 | 111.9 | F78 F81 L97 L98 Q99 L104 F105 I126 F145 | F78-L101 HydrophobicContact CE2-CD2 4.06Å; F78-L101 HydrophobicContact CZ-CD2 3.76Å; F81-L101 HydrophobicContact CD2-CD2 4.08Å; L97-L101 WeakPolarHBondContact O-CB 3.38Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.25Å; L97-L101 PolarHBondContact O-N 2.67Å; L98-L101 PolarHBondContact O-N 2.93Å; Q99-L101 PolarHBondContact O-N 3.42Å; L101-L104 WeakPolarHBondContact O-CB 3.32Å; L101-L104 PolarHBondContact O-N 3.41Å; L101-F105 WeakPolarHBondContact O-CD2 3.46Å; L101-F105 PolarHBondContact O-N 2.91Å; L101-I126 HydrophobicContact CD1-CD1 3.87Å; L101-I126 HydrophobicContact CD1-CG2 4.36Å; L101-F145 HydrophobicContact CB-CD2 4.14Å; L101-F145 HydrophobicContact CB-CE2 3.82Å |
| 102 | N | 93.8 | Very high | 91.6 | Very high | 16 Ų | 16 | 41 Ų | 41 | 9% | 0.086 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.9 | -52.4 | 176.3 | -163.3 | 32.1 | 0 | 0 | 0 | 110.8 | L98 Q99 L104 F105 E106 S144 F145 T148 | L98-N102 WeakPolarHBondContact O-CB 3.47Å; L98-N102 PolarHBondContact O-N 2.8Å; Q99-N102 WeakPolarHBondContact O-CB 3.43Å; Q99-N102 PolarHBondContact O-N 2.77Å; N102-L104 VanDerWaalsContact C-N 3.29Å; N102-L104 PolarHBondContact O-N 3.05Å; N102-F105 PolarHBondContact O-N 3.06Å; N102-E106 VanDerWaalsContact O-CB 3.3Å; N102-E106 WeakPolarHBondContact O-CB 3.5Å; N102-E106 PolarHBondContact O-N 3.36Å; N102-S144 PolarHBondContact ND2-OG 2.9Å; N102-S144 PolarHBondContact OD1-O 3.33Å; N102-F145 WeakPolarHBondContact OD1-CA 3.46Å; N102-T148 WeakPolarHBondContact OD1-CB 3.3Å; N102-T148 PolarHBondContact OD1-OG1 3.3Å |
| 103 | I | 93.8 | Very high | 91.7 | Very high | 67 Ų | 67 | 36.4 Ų | 36.4 | 34% | 0.344 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.7 | -39.9 | 177.1 | -65.7 | 165.4 | 0 | 0 | 0 | 111.3 | I59 Q99 N107 | I59-I103 HydrophobicContact CD1-CG2 3.9Å; Q99-I103 HydrophobicContact CG-CD1 4.02Å; Q99-I103 VanDerWaalsContact O-CG1 3.31Å; Q99-I103 WeakPolarHBondContact O-CG1 3.37Å; Q99-I103 PolarHBondContact O-N 3.03Å; I103-N107 WeakPolarHBondContact O-CB 3.3Å; I103-N107 PolarHBondContact O-N 3.19Å; I103-N107 VanDerWaalsContact O-N 3.13Å; I103-N107 PolarHBondContact O-ND2 3.31Å |
| 104 | L | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.2 | -52.6 | 176.5 | -179 | 65.2 | 0 | 0 | 0 | 112.1 | T55 L58 I59 F78 T100 L101 N102 I108 L117 | T55-L104 HydrophobicContact CG2-CB 3.85Å; T55-L104 HydrophobicContact CG2-CD1 4.11Å; L58-L104 HydrophobicContact CB-CD1 3.78Å; L58-L104 HydrophobicContact CD1-CD1 3.95Å; L58-L104 HydrophobicContact CD1-CD2 4.23Å; I59-L104 HydrophobicContact CG1-CD1 4.11Å; F78-L104 HydrophobicContact CE2-CD2 4.41Å; T100-L104 WeakPolarHBondContact O-CB 3.36Å; T100-L104 PolarHBondContact O-N 3.36Å; T100-L104 VanDerWaalsContact O-N 3.12Å; L101-L104 WeakPolarHBondContact O-CB 3.32Å; L101-L104 PolarHBondContact O-N 3.41Å; N102-L104 VanDerWaalsContact C-N 3.29Å; N102-L104 PolarHBondContact O-N 3.05Å; L104-I108 HydrophobicContact CD1-CD1 3.75Å; L104-I108 HydrophobicContact CD1-CG1 4.34Å; L104-I108 HydrophobicContact CG-CD1 3.93Å; L104-I108 VanDerWaalsContact O-CG1 3.29Å; L104-I108 WeakPolarHBondContact O-CG1 3.39Å; L104-I108 PolarHBondContact O-N 3.12Å; L104-L117 HydrophobicContact CD2-CD1 4.1Å; L104-L117 HydrophobicContact CG-CD1 4.34Å |
| 105 | F | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.9 | -31.8 | -177.6 | -80.9 | -79.5 | 0 | 0 | 0 | 113 | F78 L101 N102 L114 L117 L118 V123 F145 T148 L149 K152 | F78-F105 HydrophobicContact CE2-CE2 4.35Å; F78-F105 HydrophobicContact CE2-CZ 4.48Å; F78-F105 HydrophobicContact CZ-CE2 4.25Å; F78-F105 HydrophobicContact CZ-CZ 4.48Å; L101-F105 WeakPolarHBondContact O-CD2 3.46Å; L101-F105 PolarHBondContact O-N 2.91Å; N102-F105 PolarHBondContact O-N 3.06Å; F105-L114 HydrophobicContact CD1-CD1 3.94Å; F105-L114 HydrophobicContact CE1-CD1 4.1Å; F105-L117 HydrophobicContact CE1-CB 3.96Å; F105-L117 HydrophobicContact CE1-CD1 4.1Å; F105-L117 HydrophobicContact CZ-CB 3.86Å; F105-L117 HydrophobicContact CZ-CD1 4.03Å; F105-L118 HydrophobicContact CE1-CD2 4.04Å; F105-V123 HydrophobicContact CE1-CG2 4.4Å; F105-V123 HydrophobicContact CE2-CG2 4.08Å; F105-V123 HydrophobicContact CZ-CG2 3.54Å; F105-F145 AromaticContact CD2-CE2 3.9Å; F105-F145 HydrophobicContact CD2-CE2 3.9Å; F105-F145 HydrophobicContact CE2-CE2 4.3Å; F105-T148 HydrophobicContact CB-CG2 4.14Å; F105-L149 HydrophobicContact CB-CD2 4.16Å; F105-L149 HydrophobicContact CD1-CD2 3.75Å; F105-L149 HydrophobicContact CD2-CD2 4.1Å; F105-L149 HydrophobicContact CE1-CD2 4.17Å; F105-L149 HydrophobicContact CE2-CD2 4.49Å; F105-L149 HydrophobicContact CG-CD2 3.72Å; F105-K152 WeakPolarHBondContact O-CE 3.48Å; F105-K152 PolarHBondContact O-NZ 3.47Å |
| 106 | E | 94.4 | Very high | 91.6 | Very high | 109 Ų | 109 | 43.6 Ų | 43.6 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.4 | -50.2 | 173.3 | -176.9 | 174.8 | -149.7 | 0 | 0 | 111.3 | N102 T148 K152 | N102-E106 VanDerWaalsContact O-CB 3.3Å; N102-E106 WeakPolarHBondContact O-CB 3.5Å; N102-E106 PolarHBondContact O-N 3.36Å; E106-T148 HydrophobicContact CB-CG2 3.86Å; E106-K152 PolarHBondContact O-NZ 3.02Å |
| 107 | N | 93.3 | Very high | 91.6 | Very high | 72 Ų | 72 | 41.6 Ų | 41.6 | 39% | 0.385 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -89.2 | -11.1 | -169.7 | -69.7 | -92.2 | 0 | 0 | 0 | 115.1 | I59 I103 S109 | I59-N107 HydrophobicContact CD1-CB 4.01Å; I59-N107 HydrophobicContact CG1-CB 4.12Å; I59-N107 HydrophobicContact CG2-CB 3.81Å; I103-N107 WeakPolarHBondContact O-CB 3.3Å; I103-N107 PolarHBondContact O-N 3.19Å; I103-N107 VanDerWaalsContact O-N 3.13Å; I103-N107 PolarHBondContact O-ND2 3.31Å; N107-S109 PolarHBondContact O-N 3.49Å |
| 108 | I | 91.4 | Very high | 91.5 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | trans | -67.3 | 131 | 172.2 | -78.5 | 168.9 | 0 | 0 | 0 | 110.6 | F69 L104 L114 L117 K152 | F69-I108 HydrophobicContact CZ-CD1 4.06Å; L104-I108 HydrophobicContact CD1-CD1 3.75Å; L104-I108 HydrophobicContact CD1-CG1 4.34Å; L104-I108 HydrophobicContact CG-CD1 3.93Å; L104-I108 VanDerWaalsContact O-CG1 3.29Å; L104-I108 WeakPolarHBondContact O-CG1 3.39Å; L104-I108 PolarHBondContact O-N 3.12Å; I108-L114 HydrophobicContact CG2-CB 4.11Å; I108-L117 HydrophobicContact CD1-CD1 3.29Å; I108-K152 PolarHBondContact O-NZ 2.85Å | ||
| 109 | S | 86.8 | Confident | 91.2 | Very high | 72 Ų | 72 | 44.8 Ų | 44.8 | 50% | 0.503 | 23% | 0.231 | S | C | . | . | trans | -116.5 | -35.4 | -169.8 | 64 | 0 | 0 | 0 | 0 | 112.9 | D62 N107 | D62-S109 WeakPolarHBondContact OD2-CA 3.24Å; D62-S109 PolarHBondContact OD2-N 2.86Å; D62-S109 PolarHBondContact OD2-OG 2.83Å; N107-S109 PolarHBondContact O-N 3.49Å | ||
| 110 | H | 90.2 | Very high | 90.6 | Very high | 97 Ų | 97 | 45.5 Ų | 45.5 | 45% | 0.449 | 24% | 0.237 | S | C | . | . | trans | -84.6 | 128.5 | 179.9 | -70.7 | -90.4 | 0 | 0 | 0 | 112.3 | D62 T112 S113 L114 | D62-H110 PolarHBondContact O-CD2 3.06Å; D62-H110 IonicContact OD2-CD2 3.03Å; D62-H110 PolarHBondContact OD2-N 2.9Å; D62-H110 VanDerWaalsContact OD2-N 3.11Å; H110-T112 VanDerWaalsContact C-N 3.28Å; H110-T112 PolarHBondContact O-N 3.33Å; H110-S113 WeakPolarHBondContact O-CB 3.24Å; H110-S113 PolarHBondContact O-N 3Å; H110-L114 PolarHBondContact O-N 2.9Å; H110-L114 VanDerWaalsContact O-N 3.12Å | ||
| 111 | E | 88.8 | Confident | 90.3 | Very high | 98 Ų | 98 | 49.5 Ų | 49.5 | 46% | 0.458 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.5 | -39.3 | -176.6 | -150.2 | -169.1 | 158.4 | 0 | 0 | 112.1 | L114 Y115 | E111-L114 WeakPolarHBondContact O-CB 3.44Å; E111-L114 PolarHBondContact O-N 3.11Å; E111-Y115 HydrophobicContact CB-CE2 4.31Å; E111-Y115 HydrophobicContact CG-CD2 4.2Å; E111-Y115 HydrophobicContact CG-CE2 3.51Å; E111-Y115 WeakPolarHBondContact O-CD2 3.42Å; E111-Y115 PolarHBondContact O-N 3.08Å; E111-Y115 VanDerWaalsContact OE1-CE2 3.25Å; E111-Y115 WeakPolarHBondContact OE1-CE2 3.43Å; E111-Y115 VanDerWaalsContact OE1-CZ 3.25Å; E111-Y115 PolarHBondContact OE1-OH 3.45Å |
| 112 | T | 88.7 | Confident | 90.1 | Very high | 82 Ų | 82 | 51.5 Ų | 51.5 | 50% | 0.503 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 178.5 | -37.8 | 0 | 0 | 0 | 0 | 112.1 | H110 Y115 Y116 | H110-T112 VanDerWaalsContact C-N 3.28Å; H110-T112 PolarHBondContact O-N 3.33Å; T112-Y115 PolarHBondContact O-N 3.28Å; T112-Y116 HydrophobicContact CG2-CD2 4.26Å; T112-Y116 HydrophobicContact CG2-CE2 3.61Å; T112-Y116 VanDerWaalsContact O-CD2 3.25Å; T112-Y116 WeakPolarHBondContact O-CD2 3.49Å; T112-Y116 PolarHBondContact O-N 3.09Å |
| 113 | S | 89.6 | Confident | 90.1 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 176.1 | -48.4 | 0 | 0 | 0 | 0 | 111.5 | D62 H110 Y116 L117 | D62-S113 WeakPolarHBondContact OD1-CB 3.46Å; D62-S113 PolarHBondContact OD1-OG 2.78Å; H110-S113 WeakPolarHBondContact O-CB 3.24Å; H110-S113 PolarHBondContact O-N 3Å; S113-Y116 PolarHBondContact O-N 2.97Å; S113-L117 PolarHBondContact O-N 2.91Å; S113-L117 VanDerWaalsContact O-N 3.16Å |
| 114 | L | 91.3 | Very high | 90 | Very high | 15 Ų | 15 | 48.6 Ų | 48.6 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.8 | -48.7 | 174.4 | 179 | 63.5 | 0 | 0 | 0 | 110.9 | F105 I108 H110 E111 Y116 L117 L118 K152 T157 | F105-L114 HydrophobicContact CD1-CD1 3.94Å; F105-L114 HydrophobicContact CE1-CD1 4.1Å; I108-L114 HydrophobicContact CG2-CB 4.11Å; H110-L114 PolarHBondContact O-N 2.9Å; H110-L114 VanDerWaalsContact O-N 3.12Å; E111-L114 WeakPolarHBondContact O-CB 3.44Å; E111-L114 PolarHBondContact O-N 3.11Å; L114-Y116 VanDerWaalsContact C-N 3.35Å; L114-Y116 PolarHBondContact O-N 2.95Å; L114-L117 PolarHBondContact O-N 2.9Å; L114-L118 HydrophobicContact CD1-CD1 4.03Å; L114-L118 HydrophobicContact CD1-CG 4.24Å; L114-L118 HydrophobicContact CG-CD1 4.04Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 3.4Å; L114-L118 VanDerWaalsContact O-N 3.07Å; L114-K152 HydrophobicContact CD1-CB 4.46Å; L114-K152 HydrophobicContact CD2-CB 4.17Å; L114-T157 HydrophobicContact CD2-CG2 4.01Å |
| 115 | Y | 90.1 | Very high | 90 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 18% | 0.18 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.4 | -42.5 | 177 | -72.5 | -47.7 | 0 | 0 | 0 | 112.6 | E111 T112 L117 L118 S119 H156 T157 F160 | E111-Y115 HydrophobicContact CB-CE2 4.31Å; E111-Y115 HydrophobicContact CG-CD2 4.2Å; E111-Y115 HydrophobicContact CG-CE2 3.51Å; E111-Y115 WeakPolarHBondContact O-CD2 3.42Å; E111-Y115 PolarHBondContact O-N 3.08Å; E111-Y115 VanDerWaalsContact OE1-CE2 3.25Å; E111-Y115 WeakPolarHBondContact OE1-CE2 3.43Å; E111-Y115 VanDerWaalsContact OE1-CZ 3.25Å; E111-Y115 PolarHBondContact OE1-OH 3.45Å; T112-Y115 PolarHBondContact O-N 3.28Å; Y115-L117 PolarHBondContact O-N 3.4Å; Y115-L118 PolarHBondContact O-N 2.97Å; Y115-S119 VanDerWaalsContact O-CB 3.26Å; Y115-S119 WeakPolarHBondContact O-CB 3.31Å; Y115-S119 PolarHBondContact O-N 3.34Å; Y115-S119 PolarHBondContact O-OG 3.02Å; Y115-H156 HydrophobicContact CE1-CB 4.17Å; Y115-H156 WeakPolarHBondContact OH-CB 3.36Å; Y115-T157 HydrophobicContact CD1-CG2 4.16Å; Y115-T157 HydrophobicContact CE1-CG2 3.55Å; Y115-F160 HydrophobicContact CD1-CD2 4.36Å; Y115-F160 AromaticContact CD1-CE2 3.43Å; Y115-F160 HydrophobicContact CD1-CE2 3.43Å; Y115-F160 VanDerWaalsContact CD1-CE2 3.43Å; Y115-F160 AromaticContact CD1-CZ 3.87Å; Y115-F160 HydrophobicContact CD1-CZ 3.87Å; Y115-F160 AromaticContact CE1-CE2 3.83Å; Y115-F160 HydrophobicContact CE1-CE2 3.83Å |
| 116 | Y | 87.6 | Confident | 89.9 | Confident | 110 Ų | 110 | 50.2 Ų | 50.2 | 43% | 0.431 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66 | -36.8 | 179.4 | -68.5 | -42.9 | 0 | 0 | 0 | 113.6 | L73 T112 S113 L114 N120 | L73-Y116 HydrophobicContact CD1-CD1 4.27Å; L73-Y116 HydrophobicContact CD1-CD2 3.59Å; L73-Y116 HydrophobicContact CD1-CE2 4.27Å; L73-Y116 HydrophobicContact CD1-CG 3.59Å; T112-Y116 HydrophobicContact CG2-CD2 4.26Å; T112-Y116 HydrophobicContact CG2-CE2 3.61Å; T112-Y116 VanDerWaalsContact O-CD2 3.25Å; T112-Y116 WeakPolarHBondContact O-CD2 3.49Å; T112-Y116 PolarHBondContact O-N 3.09Å; S113-Y116 PolarHBondContact O-N 2.97Å; L114-Y116 VanDerWaalsContact C-N 3.35Å; L114-Y116 PolarHBondContact O-N 2.95Å; Y116-N120 PolarHBondContact O-ND2 2.97Å |
| 117 | L | 89.6 | Confident | 89.9 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.4 | -37.8 | 175.5 | -67.4 | -174.3 | 0 | 0 | 0 | 112.6 | F69 F72 F78 L104 F105 I108 S113 L114 Y115 | F69-L117 HydrophobicContact CE1-CD1 4.4Å; F69-L117 HydrophobicContact CE1-CD2 4.33Å; F69-L117 HydrophobicContact CE1-CG 4.25Å; F72-L117 HydrophobicContact CD1-CD2 4.47Å; F72-L117 HydrophobicContact CE1-CD2 3.82Å; F78-L117 HydrophobicContact CD2-CD2 3.89Å; F78-L117 HydrophobicContact CE2-CD2 4.17Å; L104-L117 HydrophobicContact CD2-CD1 4.1Å; L104-L117 HydrophobicContact CG-CD1 4.34Å; F105-L117 HydrophobicContact CE1-CB 3.96Å; F105-L117 HydrophobicContact CE1-CD1 4.1Å; F105-L117 HydrophobicContact CZ-CB 3.86Å; F105-L117 HydrophobicContact CZ-CD1 4.03Å; I108-L117 HydrophobicContact CD1-CD1 3.29Å; S113-L117 PolarHBondContact O-N 2.91Å; S113-L117 VanDerWaalsContact O-N 3.16Å; L114-L117 PolarHBondContact O-N 2.9Å; Y115-L117 PolarHBondContact O-N 3.4Å |
| 118 | L | 90.9 | Very high | 90 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.7 | -38.1 | 177.9 | -64.4 | 179.2 | 0 | 0 | 0 | 112.5 | F105 L114 Y115 N120 N121 V123 T157 F160 F161 | F105-L118 HydrophobicContact CE1-CD2 4.04Å; L114-L118 HydrophobicContact CD1-CD1 4.03Å; L114-L118 HydrophobicContact CD1-CG 4.24Å; L114-L118 HydrophobicContact CG-CD1 4.04Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 3.4Å; L114-L118 VanDerWaalsContact O-N 3.07Å; Y115-L118 PolarHBondContact O-N 2.97Å; L118-N120 VanDerWaalsContact C-N 3.27Å; L118-N120 PolarHBondContact O-N 3.34Å; L118-N120 VanDerWaalsContact O-N 3.13Å; L118-N121 PolarHBondContact O-N 2.96Å; L118-V123 HydrophobicContact CD2-CB 4.39Å; L118-V123 HydrophobicContact CD2-CG1 4.35Å; L118-V123 HydrophobicContact CD2-CG2 4.15Å; L118-T157 HydrophobicContact CD1-CG2 4.28Å; L118-F160 HydrophobicContact CB-CB 3.79Å; L118-F160 HydrophobicContact CB-CD1 4.02Å; L118-F160 HydrophobicContact CB-CD2 4.08Å; L118-F160 HydrophobicContact CB-CG 3.67Å; L118-F160 HydrophobicContact CD1-CB 4.43Å; L118-F160 HydrophobicContact CD1-CD2 4.18Å; L118-F160 HydrophobicContact CD1-CG 4.45Å; L118-F161 HydrophobicContact CD1-CE2 4.14Å; L118-F161 HydrophobicContact CD1-CZ 4.37Å; L118-F161 HydrophobicContact CD2-CE1 4.18Å; L118-F161 HydrophobicContact CD2-CE2 4.08Å; L118-F161 HydrophobicContact CD2-CZ 3.5Å |
| 119 | S | 86.4 | Confident | 90 | Very high | 63 Ų | 63 | 46.6 Ų | 46.6 | 44% | 0.441 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -55 | -34.6 | -172.6 | -69.6 | 0 | 0 | 0 | 0 | 115.2 | Y115 N121 F160 | Y115-S119 VanDerWaalsContact O-CB 3.26Å; Y115-S119 WeakPolarHBondContact O-CB 3.31Å; Y115-S119 PolarHBondContact O-N 3.34Å; Y115-S119 PolarHBondContact O-OG 3.02Å; S119-N121 PolarHBondContact O-N 3.04Å; S119-F160 VanDerWaalsContact OG-CE1 3.3Å; S119-F160 WeakPolarHBondContact OG-CE1 3.46Å |
| 120 | N | 80.5 | Confident | 90.1 | Very high | 72 Ų | 72 | 52.3 Ų | 52.3 | 39% | 0.385 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 7.5 | -173.8 | -72.1 | -69.9 | 0 | 0 | 0 | 114.3 | Y116 L118 Y122 | Y116-N120 PolarHBondContact O-ND2 2.97Å; L118-N120 VanDerWaalsContact C-N 3.27Å; L118-N120 PolarHBondContact O-N 3.34Å; L118-N120 VanDerWaalsContact O-N 3.13Å; N120-Y122 HydrophobicContact CB-CD2 3.59Å; N120-Y122 HydrophobicContact CB-CE2 3.59Å; N120-Y122 HydrophobicContact CB-CG 4.3Å; N120-Y122 PolarHBondContact O-N 3.12Å |
| 121 | N | 87.1 | Confident | 90.2 | Very high | 90 Ų | 90 | 48.5 Ų | 48.5 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 59.1 | 6.4 | 176.6 | -161.8 | 36.8 | 0 | 0 | 0 | 115.2 | L118 S119 V123 N124 S125 | L118-N121 PolarHBondContact O-N 2.96Å; S119-N121 PolarHBondContact O-N 3.04Å; N121-V123 VanDerWaalsContact C-N 3.31Å; N121-V123 PolarHBondContact O-N 3.12Å; N121-N124 WeakPolarHBondContact OD1-CB 3.4Å; N121-N124 PolarHBondContact OD1-ND2 2.77Å; N121-S125 PolarHBondContact O-N 3.21Å; N121-S125 VanDerWaalsContact O-N 3.14Å; N121-S125 PolarHBondContact O-OG 3.27Å |
| 122 | Y | 89.8 | Confident | 90.2 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.1 | -34.1 | 176 | -61.3 | -45 | 0 | 0 | 0 | 111.8 | F78 V79 L82 N120 S125 I126 | F78-Y122 HydrophobicContact CB-CD2 3.84Å; F78-Y122 HydrophobicContact CB-CE2 4.17Å; F78-Y122 AromaticContact CD1-CD2 3.59Å; F78-Y122 HydrophobicContact CD1-CD2 3.59Å; F78-Y122 AromaticContact CD1-CG 3.82Å; F78-Y122 HydrophobicContact CD1-CG 3.82Å; F78-Y122 HydrophobicContact CE1-CD2 4.5Å; F78-Y122 HydrophobicContact CE1-CG 4.43Å; F78-Y122 HydrophobicContact CG-CD2 4.04Å; V79-Y122 HydrophobicContact CB-CE1 4.19Å; V79-Y122 HydrophobicContact CB-CE2 4.43Å; V79-Y122 HydrophobicContact CG2-CE1 3.79Å; L82-Y122 HydrophobicContact CD2-CD1 3.88Å; N120-Y122 HydrophobicContact CB-CD2 3.59Å; N120-Y122 HydrophobicContact CB-CE2 3.59Å; N120-Y122 HydrophobicContact CB-CG 4.3Å; N120-Y122 PolarHBondContact O-N 3.12Å; Y122-S125 CarbonylContact O-C 3.6Å; Y122-S125 WeakPolarHBondContact O-CA 3.17Å; Y122-S125 VanDerWaalsContact O-CB 3.3Å; Y122-S125 WeakPolarHBondContact O-CB 3.43Å; Y122-S125 PolarHBondContact O-N 2.89Å; Y122-S125 VanDerWaalsContact O-N 3.11Å; Y122-I126 WeakPolarHBondContact O-CG1 3.38Å; Y122-I126 PolarHBondContact O-N 2.9Å |
| 123 | V | 92.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.9 | -48.7 | 177.9 | -180 | 0 | 0 | 0 | 0 | 110.9 | F78 F105 L118 N121 S125 I126 I127 F145 L149 F161 | F78-V123 HydrophobicContact CE1-CG2 4.49Å; F78-V123 HydrophobicContact CZ-CG2 4.14Å; F105-V123 HydrophobicContact CE1-CG2 4.4Å; F105-V123 HydrophobicContact CE2-CG2 4.08Å; F105-V123 HydrophobicContact CZ-CG2 3.54Å; L118-V123 HydrophobicContact CD2-CB 4.39Å; L118-V123 HydrophobicContact CD2-CG1 4.35Å; L118-V123 HydrophobicContact CD2-CG2 4.15Å; N121-V123 VanDerWaalsContact C-N 3.31Å; N121-V123 PolarHBondContact O-N 3.12Å; V123-S125 PolarHBondContact O-N 3.28Å; V123-I126 WeakPolarHBondContact O-CA 3.37Å; V123-I126 WeakPolarHBondContact O-CB 3.08Å; V123-I126 PolarHBondContact O-N 2.69Å; V123-I127 HydrophobicContact CG1-CD1 4.12Å; V123-I127 WeakPolarHBondContact O-CG1 3.42Å; V123-I127 PolarHBondContact O-N 2.76Å; V123-F145 HydrophobicContact CG1-CZ 4.26Å; V123-L149 HydrophobicContact CG1-CD1 3.59Å; V123-L149 HydrophobicContact CG1-CD2 4.1Å; V123-F161 HydrophobicContact CG1-CE1 3.97Å |
| 124 | N | 93.4 | Very high | 90.3 | Very high | 21 Ų | 21 | 52.4 Ų | 52.4 | 11% | 0.112 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61 | -33.2 | 172.3 | -63.2 | -35.8 | 0 | 0 | 0 | 112.4 | N121 I126 I127 V128 F160 F161 A170 | N121-N124 WeakPolarHBondContact OD1-CB 3.4Å; N121-N124 PolarHBondContact OD1-ND2 2.77Å; N124-I126 PolarHBondContact O-N 3.23Å; N124-I127 PolarHBondContact O-N 3.37Å; N124-V128 WeakPolarHBondContact O-CG2 3.47Å; N124-V128 PolarHBondContact O-N 3.44Å; N124-F160 PolarHBondContact ND2-O 3.25Å; N124-F161 WeakPolarHBondContact OD1-CD1 3.47Å; N124-A170 HydrophobicContact CB-CB 4.06Å |
| 125 | S | 92.8 | Very high | 90.3 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.8 | -15.4 | 174.8 | -58.8 | 0 | 0 | 0 | 0 | 114.2 | N121 Y122 V123 | N121-S125 PolarHBondContact O-N 3.21Å; N121-S125 VanDerWaalsContact O-N 3.14Å; N121-S125 PolarHBondContact O-OG 3.27Å; Y122-S125 CarbonylContact O-C 3.6Å; Y122-S125 WeakPolarHBondContact O-CA 3.17Å; Y122-S125 VanDerWaalsContact O-CB 3.3Å; Y122-S125 WeakPolarHBondContact O-CB 3.43Å; Y122-S125 PolarHBondContact O-N 2.89Å; Y122-S125 VanDerWaalsContact O-N 3.11Å; V123-S125 PolarHBondContact O-N 3.28Å |
| 126 | I | 93 | Very high | 90.3 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -92.9 | -41.6 | 171.1 | -65.7 | 164.5 | 0 | 0 | 0 | 109.9 | F78 L82 L85 L101 Y122 V123 N124 V128 H129 F131 F145 | F78-I126 HydrophobicContact CE1-CD1 3.69Å; F78-I126 HydrophobicContact CZ-CD1 4.16Å; L82-I126 HydrophobicContact CD1-CG1 3.92Å; L85-I126 HydrophobicContact CD2-CB 4.44Å; L85-I126 HydrophobicContact CD2-CG1 4.18Å; L85-I126 HydrophobicContact CD2-CG2 3.91Å; L101-I126 HydrophobicContact CD1-CD1 3.87Å; L101-I126 HydrophobicContact CD1-CG2 4.36Å; Y122-I126 WeakPolarHBondContact O-CG1 3.38Å; Y122-I126 PolarHBondContact O-N 2.9Å; V123-I126 WeakPolarHBondContact O-CA 3.37Å; V123-I126 WeakPolarHBondContact O-CB 3.08Å; V123-I126 PolarHBondContact O-N 2.69Å; N124-I126 PolarHBondContact O-N 3.23Å; I126-V128 PolarHBondContact O-N 2.96Å; I126-H129 WeakPolarHBondContact O-CB 3.45Å; I126-H129 PolarHBondContact O-N 3.3Å; I126-H129 VanDerWaalsContact O-N 3.14Å; I126-F131 HydrophobicContact CG2-CZ 4.43Å; I126-F131 WeakPolarHBondContact O-CE2 2.97Å; I126-F145 HydrophobicContact CG2-CE1 3.81Å; I126-F145 HydrophobicContact CG2-CZ 4.26Å |
| 127 | I | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57 | -49.8 | 175.2 | -66.2 | 168.1 | 0 | 0 | 0 | 110.6 | V123 N124 H129 Y142 F145 L146 L149 F161 A170 L171 E174 | V123-I127 HydrophobicContact CG1-CD1 4.12Å; V123-I127 WeakPolarHBondContact O-CG1 3.42Å; V123-I127 PolarHBondContact O-N 2.76Å; N124-I127 PolarHBondContact O-N 3.37Å; I127-H129 PolarHBondContact O-N 2.7Å; I127-H129 VanDerWaalsContact O-N 3.17Å; I127-Y142 PolarHBondContact O-OH 3.26Å; I127-F145 HydrophobicContact CG1-CE1 4.33Å; I127-L146 HydrophobicContact CB-CD2 4.38Å; I127-L146 HydrophobicContact CD1-CD2 4.48Å; I127-L146 HydrophobicContact CG1-CD2 3.82Å; I127-L146 HydrophobicContact CG2-CD2 4.01Å; I127-L149 HydrophobicContact CD1-CD1 3.89Å; I127-L149 HydrophobicContact CG1-CD1 4.23Å; I127-F161 HydrophobicContact CD1-CD1 4.02Å; I127-F161 HydrophobicContact CD1-CE1 3.96Å; I127-A170 HydrophobicContact CG2-CB 4.2Å; I127-L171 HydrophobicContact CD1-CB 4.08Å; I127-L171 HydrophobicContact CD1-CD1 4.24Å; I127-E174 HydrophobicContact CG2-CB 3.93Å; I127-E174 HydrophobicContact CG2-CG 3.87Å |
| 128 | V | 93.6 | Very high | 90.6 | Very high | 67 Ų | 67 | 57 Ų | 57 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 20.2 | -179.2 | -165.3 | 0 | 0 | 0 | 0 | 111.9 | N124 I126 A170 E174 | N124-V128 WeakPolarHBondContact O-CG2 3.47Å; N124-V128 PolarHBondContact O-N 3.44Å; I126-V128 PolarHBondContact O-N 2.96Å; V128-A170 HydrophobicContact CG2-CB 3.78Å; V128-E174 HydrophobicContact CG2-CG 4.19Å |
| 129 | H | 91.7 | Very high | 90.8 | Very high | 44 Ų | 44 | 57.2 Ų | 57.2 | 20% | 0.204 | 30% | 0.299 | C | S | . | . | trans | -77.6 | 140.9 | 173.1 | -178 | 76.1 | 0 | 0 | 0 | 110.7 | L85 I126 I127 F131 | L85-H129 HydrophobicContact CD2-CB 4.45Å; I126-H129 WeakPolarHBondContact O-CB 3.45Å; I126-H129 PolarHBondContact O-N 3.3Å; I126-H129 VanDerWaalsContact O-N 3.14Å; I127-H129 PolarHBondContact O-N 2.7Å; I127-H129 VanDerWaalsContact O-N 3.17Å; H129-F131 HydrophobicContact CB-CD2 4.29Å; H129-F131 HydrophobicContact CB-CE2 3.73Å; H129-F131 HydrophobicContact CB-CZ 4.08Å; H129-F131 AromaticContact CD2-CD1 3.86Å; H129-F131 AromaticContact CD2-CD2 3.93Å; H129-F131 AromaticContact CD2-CE1 3.8Å; H129-F131 AromaticContact CD2-CE2 3.85Å; H129-F131 AromaticContact CD2-CG 3.92Å; H129-F131 AromaticContact CD2-CZ 3.78Å; H129-F131 WeakPolarHBondContact O-CD2 3.4Å; H129-F131 PolarHBondContact O-N 2.87Å; H129-F131 VanDerWaalsContact O-N 3.11Å | ||
| 130 | K | 90.2 | Very high | 91.1 | Very high | 191 Ų | 191 | 56.4 Ų | 56.4 | 83% | 0.83 | 30% | 0.296 | S | S | * | . | trans | -85.7 | 82.5 | 178.7 | -66.2 | -160.7 | 172.8 | -157.5 | 0 | 110.8 | ||||
| 131 | F | 90.8 | Very high | 91.8 | Very high | 18 Ų | 18 | 56 Ų | 56 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | trans | -65.7 | 156.9 | 169.8 | -61.7 | -87.4 | 0 | 0 | 0 | 111.7 | L85 L98 I126 H129 F133 I138 Y142 | L85-F131 HydrophobicContact CD1-CE1 3.98Å; L85-F131 HydrophobicContact CD2-CE1 4.25Å; L85-F131 HydrophobicContact CD2-CZ 4.01Å; L98-F131 HydrophobicContact CD1-CD1 4.1Å; L98-F131 HydrophobicContact CD1-CE1 3.67Å; L98-F131 HydrophobicContact CD1-CZ 4.31Å; L98-F131 HydrophobicContact CD2-CE1 3.9Å; L98-F131 HydrophobicContact CD2-CZ 3.78Å; L98-F131 HydrophobicContact CG-CE1 3.95Å; L98-F131 HydrophobicContact CG-CZ 4.35Å; I126-F131 HydrophobicContact CG2-CZ 4.43Å; I126-F131 WeakPolarHBondContact O-CE2 2.97Å; H129-F131 HydrophobicContact CB-CD2 4.29Å; H129-F131 HydrophobicContact CB-CE2 3.73Å; H129-F131 HydrophobicContact CB-CZ 4.08Å; H129-F131 AromaticContact CD2-CD1 3.86Å; H129-F131 AromaticContact CD2-CD2 3.93Å; H129-F131 AromaticContact CD2-CE1 3.8Å; H129-F131 AromaticContact CD2-CE2 3.85Å; H129-F131 AromaticContact CD2-CG 3.92Å; H129-F131 AromaticContact CD2-CZ 3.78Å; H129-F131 WeakPolarHBondContact O-CD2 3.4Å; H129-F131 PolarHBondContact O-N 2.87Å; H129-F131 VanDerWaalsContact O-N 3.11Å; F131-F133 HydrophobicContact CB-CD1 4.23Å; F131-F133 HydrophobicContact CB-CE1 3.81Å; F131-F133 HydrophobicContact CB-CE2 4.18Å; F131-F133 HydrophobicContact CB-CZ 3.78Å; F131-F133 HydrophobicContact CD2-CE1 4.41Å; F131-F133 AromaticContact CD2-CZ 3.97Å; F131-F133 HydrophobicContact CD2-CZ 3.97Å; F131-F133 HydrophobicContact CG-CE1 4.37Å; F131-F133 HydrophobicContact CG-CZ 4.27Å; F131-F133 PolarHBondContact O-N 3.09Å; F131-I138 HydrophobicContact CB-CG2 3.93Å; F131-I138 HydrophobicContact CD1-CG2 3.74Å; F131-I138 HydrophobicContact CG-CG2 4.16Å; F131-Y142 AromaticContact CD2-CD2 3.71Å; F131-Y142 HydrophobicContact CD2-CD2 3.71Å; F131-Y142 AromaticContact CD2-CE2 3.87Å; F131-Y142 HydrophobicContact CD2-CE2 3.87Å; F131-Y142 HydrophobicContact CD2-CG 4.36Å; F131-Y142 AromaticContact CE2-CD2 3.38Å; F131-Y142 HydrophobicContact CE2-CD2 3.38Å; F131-Y142 AromaticContact CE2-CE2 3.5Å; F131-Y142 HydrophobicContact CE2-CE2 3.5Å; F131-Y142 VanDerWaalsContact CE2-CE2 3.5Å; F131-Y142 HydrophobicContact CE2-CG 4.4Å; F131-Y142 AromaticContact CZ-CD2 3.98Å; F131-Y142 HydrophobicContact CZ-CD2 3.98Å; F131-Y142 HydrophobicContact CZ-CE2 4.41Å | ||
| 132 | D | 89.2 | Confident | 92.3 | Very high | 101 Ų | 101 | 51.8 Ų | 51.8 | 54% | 0.54 | 27% | 0.267 | S | S | . | . | trans | -86.4 | 92.8 | 168.2 | -170.1 | -5.4 | 0 | 0 | 0 | 109.3 | S134 D135 | D132-S134 PolarHBondContact O-N 3.49Å; D132-S134 WeakPolarHBondContact OD1-CB 3.46Å; D132-S134 PolarHBondContact OD1-N 3.42Å; D132-S134 VanDerWaalsContact OD1-N 3.14Å; D132-S134 PolarHBondContact OD1-OG 3.21Å; D132-D135 PolarHBondContact O-N 3.3Å | ||
| 133 | F | 91.4 | Very high | 92.6 | Very high | 65 Ų | 65 | 49.9 Ų | 49.9 | 29% | 0.285 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 4.4 | 179.3 | -66.8 | -56.4 | 0 | 0 | 0 | 113.9 | F131 D135 M139 Y142 F178 | F131-F133 HydrophobicContact CB-CD1 4.23Å; F131-F133 HydrophobicContact CB-CE1 3.81Å; F131-F133 HydrophobicContact CB-CE2 4.18Å; F131-F133 HydrophobicContact CB-CZ 3.78Å; F131-F133 HydrophobicContact CD2-CE1 4.41Å; F131-F133 AromaticContact CD2-CZ 3.97Å; F131-F133 HydrophobicContact CD2-CZ 3.97Å; F131-F133 HydrophobicContact CG-CE1 4.37Å; F131-F133 HydrophobicContact CG-CZ 4.27Å; F131-F133 PolarHBondContact O-N 3.09Å; F133-D135 PolarHBondContact O-N 3.29Å; F133-M139 HydrophobicContact CB-CE 3.68Å; F133-M139 HydrophobicContact CD1-CB 4.33Å; F133-M139 HydrophobicContact CD1-CE 3.62Å; F133-M139 HydrophobicContact CD1-SD 3.67Å; F133-M139 HydrophobicContact CE1-CE 4.46Å; F133-M139 HydrophobicContact CE1-SD 4.02Å; F133-M139 HydrophobicContact CG-CE 3.78Å; F133-M139 HydrophobicContact CG-SD 4.4Å; F133-Y142 AromaticContact CE1-CD1 3.51Å; F133-Y142 HydrophobicContact CE1-CD1 3.51Å; F133-Y142 HydrophobicContact CE1-CE1 4.04Å; F133-Y142 AromaticContact CE1-CG 3.85Å; F133-Y142 HydrophobicContact CE1-CG 3.85Å; F133-Y142 AromaticContact CZ-CD1 3.62Å; F133-Y142 HydrophobicContact CZ-CD1 3.62Å; F133-Y142 AromaticContact CZ-CE1 3.64Å; F133-Y142 HydrophobicContact CZ-CE1 3.64Å; F133-Y142 HydrophobicContact CZ-CG 4.08Å; F133-F178 HydrophobicContact CD2-CE1 4.34Å; F133-F178 HydrophobicContact CD2-CZ 4.16Å; F133-F178 HydrophobicContact CE1-CZ 4.39Å; F133-F178 HydrophobicContact CE2-CE1 4.41Å; F133-F178 AromaticContact CE2-CZ 3.79Å; F133-F178 HydrophobicContact CE2-CZ 3.79Å; F133-F178 AromaticContact CZ-CZ 3.92Å; F133-F178 HydrophobicContact CZ-CZ 3.92Å |
| 134 | S | 89.9 | Confident | 92.8 | Very high | 108 Ų | 108 | 52 Ų | 52 | 76% | 0.755 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -13.3 | 164.2 | -35.4 | 0 | 0 | 0 | 0 | 112 | D132 | D132-S134 PolarHBondContact O-N 3.49Å; D132-S134 WeakPolarHBondContact OD1-CB 3.46Å; D132-S134 PolarHBondContact OD1-N 3.42Å; D132-S134 VanDerWaalsContact OD1-N 3.14Å; D132-S134 PolarHBondContact OD1-OG 3.21Å |
| 135 | D | 90.4 | Very high | 93 | Very high | 25 Ų | 25 | 51 Ų | 51 | 13% | 0.134 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -103.9 | 105.9 | 177.9 | -163.4 | -38 | 0 | 0 | 0 | 110.6 | R91 D132 F133 E137 I138 M139 | R91-D135 WeakPolarHBondContact CD-OD2 3.41Å; R91-D135 WeakPolarHBondContact CG-OD2 3.49Å; R91-D135 IonicContact CZ-OD1 3.16Å; R91-D135 IonicContact CZ-OD2 3.1Å; R91-D135 IonicContact NE-OD1 3.14Å; R91-D135 IonicContact NE-OD2 3.09Å; R91-D135 PolarHBondContact NE-OD2 2.82Å; R91-D135 IonicContact NH1-OD1 2.7Å; R91-D135 PolarHBondContact NH1-OD1 2.78Å; R91-D135 IonicContact NH1-OD2 2.84Å; R91-D135 PolarHBondContact NH1-OD2 3.19Å; R91-D135 IonicContact NH2-OD1 3.92Å; R91-D135 PolarHBondContact NH2-OD1 3.13Å; D132-D135 PolarHBondContact O-N 3.3Å; F133-D135 PolarHBondContact O-N 3.29Å; D135-E137 PolarHBondContact O-N 2.94Å; D135-E137 WeakPolarHBondContact OD1-CB 3.39Å; D135-E137 PolarHBondContact OD1-N 3.26Å; D135-I138 HydrophobicContact CB-CB 4.17Å; D135-I138 HydrophobicContact CB-CD1 3.87Å; D135-I138 HydrophobicContact CB-CG1 3.91Å; D135-I138 PolarHBondContact O-N 3.44Å; D135-M139 PolarHBondContact O-N 2.89Å |
| 136 | E | 90.3 | Very high | 93.2 | Very high | 169 Ų | 169 | 49.4 Ų | 49.4 | 79% | 0.79 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -56.7 | -31.2 | -178.8 | -63.1 | 176.1 | 160.5 | 0 | 0 | 112.8 | M139 A140 | E136-M139 PolarHBondContact O-N 3.34Å; E136-A140 WeakPolarHBondContact O-CB 3.44Å; E136-A140 PolarHBondContact O-N 3.39Å |
| 137 | E | 91.7 | Very high | 93.4 | Very high | 68 Ų | 68 | 52.8 Ų | 52.8 | 32% | 0.318 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 176.8 | -173.8 | 178.4 | -157.4 | 0 | 0 | 110.9 | R91 V95 D135 A140 Y141 | R91-E137 IonicContact CZ-OE2 3.24Å; R91-E137 IonicContact NE-OE2 2.75Å; R91-E137 PolarHBondContact NE-OE2 2.67Å; R91-E137 IonicContact NH2-OE2 2.84Å; R91-E137 PolarHBondContact NH2-OE2 2.86Å; V95-E137 HydrophobicContact CG1-CG 4.18Å; V95-E137 HydrophobicContact CG2-CB 4.48Å; V95-E137 HydrophobicContact CG2-CG 3.87Å; D135-E137 PolarHBondContact O-N 2.94Å; D135-E137 WeakPolarHBondContact OD1-CB 3.39Å; D135-E137 PolarHBondContact OD1-N 3.26Å; E137-A140 PolarHBondContact O-N 3.2Å; E137-Y141 HydrophobicContact CG-CD2 3.83Å; E137-Y141 HydrophobicContact CG-CE2 3.59Å; E137-Y141 WeakPolarHBondContact O-CD2 3.28Å; E137-Y141 PolarHBondContact O-N 2.84Å; E137-Y141 VanDerWaalsContact O-N 3.15Å |
| 138 | I | 92.9 | Very high | 93.5 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 5% | 0.051 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 176.4 | -59.5 | -179.1 | 0 | 0 | 0 | 110.1 | R91 V95 L98 F131 D135 Y142 | R91-I138 HydrophobicContact CG-CD1 4.38Å; V95-I138 HydrophobicContact CG2-CG1 3.82Å; L98-I138 HydrophobicContact CD1-CG2 4.13Å; F131-I138 HydrophobicContact CB-CG2 3.93Å; F131-I138 HydrophobicContact CD1-CG2 3.74Å; F131-I138 HydrophobicContact CG-CG2 4.16Å; D135-I138 HydrophobicContact CB-CB 4.17Å; D135-I138 HydrophobicContact CB-CD1 3.87Å; D135-I138 HydrophobicContact CB-CG1 3.91Å; D135-I138 PolarHBondContact O-N 3.44Å; I138-Y142 WeakPolarHBondContact O-CB 3.15Å; I138-Y142 PolarHBondContact O-N 3.19Å |
| 139 | M | 93.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 4% | 0.044 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.3 | -53.1 | 173 | -177.9 | 67 | 82.6 | 0 | 0 | 111.6 | F133 D135 E136 Y141 Y142 I143 F178 V186 | F133-M139 HydrophobicContact CB-CE 3.68Å; F133-M139 HydrophobicContact CD1-CB 4.33Å; F133-M139 HydrophobicContact CD1-CE 3.62Å; F133-M139 HydrophobicContact CD1-SD 3.67Å; F133-M139 HydrophobicContact CE1-CE 4.46Å; F133-M139 HydrophobicContact CE1-SD 4.02Å; F133-M139 HydrophobicContact CG-CE 3.78Å; F133-M139 HydrophobicContact CG-SD 4.4Å; D135-M139 PolarHBondContact O-N 2.89Å; E136-M139 PolarHBondContact O-N 3.34Å; M139-Y141 PolarHBondContact O-N 3.33Å; M139-Y142 PolarHBondContact O-N 2.77Å; M139-I143 HydrophobicContact CG-CG1 4.19Å; M139-I143 WeakPolarHBondContact O-CB 3.36Å; M139-I143 WeakPolarHBondContact O-CG1 3.48Å; M139-I143 PolarHBondContact O-N 3.29Å; M139-I143 HydrophobicContact SD-CD1 4.22Å; M139-I143 HydrophobicContact SD-CG1 3.76Å; M139-F178 HydrophobicContact CE-CD1 3.75Å; M139-F178 HydrophobicContact CE-CE1 3.56Å; M139-F178 HydrophobicContact SD-CD1 3.91Å; M139-F178 HydrophobicContact SD-CE1 3.87Å; M139-F178 HydrophobicContact SD-CZ 4.46Å; M139-V186 HydrophobicContact CG-CG2 4.42Å |
| 140 | A | 93.7 | Very high | 93.9 | Very high | 47 Ų | 47 | 48.3 Ų | 48.3 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.2 | -47 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E136 E137 S144 | E136-A140 WeakPolarHBondContact O-CB 3.44Å; E136-A140 PolarHBondContact O-N 3.39Å; E137-A140 PolarHBondContact O-N 3.2Å; A140-S144 VanDerWaalsContact O-CB 3.23Å; A140-S144 WeakPolarHBondContact O-CB 3.43Å; A140-S144 PolarHBondContact O-N 3.41Å |
| 141 | Y | 95.2 | Very high | 94.2 | Very high | 63 Ų | 63 | 44.3 Ų | 44.3 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.9 | -33.6 | 176.9 | -73.4 | -66.7 | 0 | 0 | 0 | 113.1 | V95 Q99 E137 M139 F145 | V95-Y141 HydrophobicContact CG1-CD2 3.75Å; V95-Y141 HydrophobicContact CG1-CE2 3.55Å; Q99-Y141 HydrophobicContact CB-CD1 3.92Å; Q99-Y141 HydrophobicContact CB-CE1 3.84Å; Q99-Y141 HydrophobicContact CG-CD1 4.25Å; Q99-Y141 HydrophobicContact CG-CE1 3.75Å; E137-Y141 HydrophobicContact CG-CD2 3.83Å; E137-Y141 HydrophobicContact CG-CE2 3.59Å; E137-Y141 WeakPolarHBondContact O-CD2 3.28Å; E137-Y141 PolarHBondContact O-N 2.84Å; E137-Y141 VanDerWaalsContact O-N 3.15Å; M139-Y141 PolarHBondContact O-N 3.33Å; Y141-F145 WeakPolarHBondContact O-CB 3.4Å; Y141-F145 PolarHBondContact O-N 3.46Å |
| 142 | Y | 96.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.2 | -48.8 | 175.8 | 174.1 | -102.4 | 0 | 0 | 0 | 111.9 | L98 I127 F131 F133 I138 M139 S144 F145 L146 F178 | L98-Y142 HydrophobicContact CD2-CD2 4.48Å; I127-Y142 PolarHBondContact O-OH 3.26Å; F131-Y142 AromaticContact CD2-CD2 3.71Å; F131-Y142 HydrophobicContact CD2-CD2 3.71Å; F131-Y142 AromaticContact CD2-CE2 3.87Å; F131-Y142 HydrophobicContact CD2-CE2 3.87Å; F131-Y142 HydrophobicContact CD2-CG 4.36Å; F131-Y142 AromaticContact CE2-CD2 3.38Å; F131-Y142 HydrophobicContact CE2-CD2 3.38Å; F131-Y142 AromaticContact CE2-CE2 3.5Å; F131-Y142 HydrophobicContact CE2-CE2 3.5Å; F131-Y142 VanDerWaalsContact CE2-CE2 3.5Å; F131-Y142 HydrophobicContact CE2-CG 4.4Å; F131-Y142 AromaticContact CZ-CD2 3.98Å; F131-Y142 HydrophobicContact CZ-CD2 3.98Å; F131-Y142 HydrophobicContact CZ-CE2 4.41Å; F133-Y142 AromaticContact CE1-CD1 3.51Å; F133-Y142 HydrophobicContact CE1-CD1 3.51Å; F133-Y142 HydrophobicContact CE1-CE1 4.04Å; F133-Y142 AromaticContact CE1-CG 3.85Å; F133-Y142 HydrophobicContact CE1-CG 3.85Å; F133-Y142 AromaticContact CZ-CD1 3.62Å; F133-Y142 HydrophobicContact CZ-CD1 3.62Å; F133-Y142 AromaticContact CZ-CE1 3.64Å; F133-Y142 HydrophobicContact CZ-CE1 3.64Å; F133-Y142 HydrophobicContact CZ-CG 4.08Å; I138-Y142 WeakPolarHBondContact O-CB 3.15Å; I138-Y142 PolarHBondContact O-N 3.19Å; M139-Y142 PolarHBondContact O-N 2.77Å; Y142-S144 VanDerWaalsContact C-N 3.33Å; Y142-S144 PolarHBondContact O-N 3.03Å; Y142-F145 WeakPolarHBondContact O-CB 3.38Å; Y142-F145 PolarHBondContact O-N 3.06Å; Y142-L146 HydrophobicContact CD1-CD1 4.4Å; Y142-L146 HydrophobicContact CE1-CD1 3.66Å; Y142-L146 HydrophobicContact CE1-CG 4.1Å; Y142-L146 HydrophobicContact CE2-CD2 4.09Å; Y142-L146 HydrophobicContact CE2-CG 4.37Å; Y142-L146 WeakPolarHBondContact O-CG 3.5Å; Y142-L146 PolarHBondContact O-N 3.43Å; Y142-F178 AromaticContact CE1-CE2 3.91Å; Y142-F178 HydrophobicContact CE1-CE2 3.91Å; Y142-F178 HydrophobicContact CE1-CZ 4.35Å |
| 143 | I | 96.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.7 | -38.6 | 177.8 | -65.9 | -66 | 0 | 0 | 0 | 111.1 | M139 L146 K147 F178 V186 A189 | M139-I143 HydrophobicContact CG-CG1 4.19Å; M139-I143 WeakPolarHBondContact O-CB 3.36Å; M139-I143 WeakPolarHBondContact O-CG1 3.48Å; M139-I143 PolarHBondContact O-N 3.29Å; M139-I143 HydrophobicContact SD-CD1 4.22Å; M139-I143 HydrophobicContact SD-CG1 3.76Å; I143-L146 PolarHBondContact O-N 3.14Å; I143-K147 WeakPolarHBondContact O-CB 3.33Å; I143-K147 PolarHBondContact O-N 2.85Å; I143-F178 HydrophobicContact CD1-CB 4.13Å; I143-F178 HydrophobicContact CD1-CD2 3.67Å; I143-F178 HydrophobicContact CD1-CE2 4.28Å; I143-F178 HydrophobicContact CD1-CG 3.89Å; I143-V186 HydrophobicContact CD1-CG1 4.11Å; I143-V186 HydrophobicContact CG1-CG1 4.01Å; I143-V186 HydrophobicContact CG1-CG2 4.32Å; I143-V186 HydrophobicContact CG2-CG1 4.28Å; I143-V186 HydrophobicContact CG2-CG2 4.38Å; I143-A189 HydrophobicContact CG2-CB 3.38Å |
| 144 | S | 96.4 | Very high | 94.5 | Very high | 46 Ų | 46 | 41.7 Ų | 41.7 | 32% | 0.322 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.1 | -46 | 172.1 | -169.3 | 0 | 0 | 0 | 0 | 111.6 | N102 A140 Y142 L146 K147 T148 | N102-S144 PolarHBondContact ND2-OG 2.9Å; N102-S144 PolarHBondContact OD1-O 3.33Å; A140-S144 VanDerWaalsContact O-CB 3.23Å; A140-S144 WeakPolarHBondContact O-CB 3.43Å; A140-S144 PolarHBondContact O-N 3.41Å; Y142-S144 VanDerWaalsContact C-N 3.33Å; Y142-S144 PolarHBondContact O-N 3.03Å; S144-L146 PolarHBondContact O-N 2.72Å; S144-K147 WeakPolarHBondContact O-CB 3.22Å; S144-K147 PolarHBondContact O-N 2.74Å; S144-K147 VanDerWaalsContact O-N 3.16Å; S144-T148 PolarHBondContact O-N 3.22Å; S144-T148 PolarHBondContact O-OG1 3.12Å; S144-T148 VanDerWaalsContact O-OG1 3.11Å |
| 145 | F | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 175.2 | 174.4 | -113.1 | 0 | 0 | 0 | 112.8 | L98 L101 N102 F105 V123 I126 I127 Y141 Y142 K147 T148 L149 | L98-F145 HydrophobicContact CD2-CD1 4.43Å; L101-F145 HydrophobicContact CB-CD2 4.14Å; L101-F145 HydrophobicContact CB-CE2 3.82Å; N102-F145 WeakPolarHBondContact OD1-CA 3.46Å; F105-F145 AromaticContact CD2-CE2 3.9Å; F105-F145 HydrophobicContact CD2-CE2 3.9Å; F105-F145 HydrophobicContact CE2-CE2 4.3Å; V123-F145 HydrophobicContact CG1-CZ 4.26Å; I126-F145 HydrophobicContact CG2-CE1 3.81Å; I126-F145 HydrophobicContact CG2-CZ 4.26Å; I127-F145 HydrophobicContact CG1-CE1 4.33Å; Y141-F145 WeakPolarHBondContact O-CB 3.4Å; Y141-F145 PolarHBondContact O-N 3.46Å; Y142-F145 WeakPolarHBondContact O-CB 3.38Å; Y142-F145 PolarHBondContact O-N 3.06Å; F145-K147 VanDerWaalsContact C-N 3.34Å; F145-K147 PolarHBondContact O-N 2.94Å; F145-T148 PolarHBondContact O-N 2.76Å; F145-L149 HydrophobicContact CD1-CD1 4.22Å; F145-L149 HydrophobicContact CD2-CD1 4.47Å; F145-L149 HydrophobicContact CD2-CG 4.48Å; F145-L149 HydrophobicContact CE1-CD1 3.75Å; F145-L149 HydrophobicContact CE2-CD1 4.02Å; F145-L149 HydrophobicContact CE2-CD2 4.37Å; F145-L149 HydrophobicContact CE2-CG 4.2Å; F145-L149 HydrophobicContact CZ-CD1 3.66Å; F145-L149 HydrophobicContact CZ-CG 4.34Å; F145-L149 WeakPolarHBondContact O-CG 3.48Å; F145-L149 PolarHBondContact O-N 3.07Å |
| 146 | L | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62 | -41 | 174 | -60.6 | -165.7 | 0 | 0 | 0 | 112 | I127 Y142 I143 S144 L149 S150 L171 A175 I193 | I127-L146 HydrophobicContact CB-CD2 4.38Å; I127-L146 HydrophobicContact CD1-CD2 4.48Å; I127-L146 HydrophobicContact CG1-CD2 3.82Å; I127-L146 HydrophobicContact CG2-CD2 4.01Å; Y142-L146 HydrophobicContact CD1-CD1 4.4Å; Y142-L146 HydrophobicContact CE1-CD1 3.66Å; Y142-L146 HydrophobicContact CE1-CG 4.1Å; Y142-L146 HydrophobicContact CE2-CD2 4.09Å; Y142-L146 HydrophobicContact CE2-CG 4.37Å; Y142-L146 WeakPolarHBondContact O-CG 3.5Å; Y142-L146 PolarHBondContact O-N 3.43Å; I143-L146 PolarHBondContact O-N 3.14Å; S144-L146 PolarHBondContact O-N 2.72Å; L146-L149 PolarHBondContact O-N 3.37Å; L146-S150 PolarHBondContact O-N 3.01Å; L146-L171 HydrophobicContact CB-CD1 4.03Å; L146-L171 HydrophobicContact CD2-CD1 3.95Å; L146-L171 HydrophobicContact CG-CD1 4.47Å; L146-A175 HydrophobicContact CD1-CB 3.96Å; L146-I193 HydrophobicContact CB-CD1 3.71Å |
| 147 | K | 97.4 | Very high | 94.6 | Very high | 72 Ų | 72 | 36.4 Ų | 36.4 | 31% | 0.313 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.7 | -48.2 | 177.2 | -172.8 | -179.3 | -179.6 | 179.8 | 0 | 111 | I143 S144 F145 L149 S150 L151 A189 T192 I193 | I143-K147 WeakPolarHBondContact O-CB 3.33Å; I143-K147 PolarHBondContact O-N 2.85Å; S144-K147 WeakPolarHBondContact O-CB 3.22Å; S144-K147 PolarHBondContact O-N 2.74Å; S144-K147 VanDerWaalsContact O-N 3.16Å; F145-K147 VanDerWaalsContact C-N 3.34Å; F145-K147 PolarHBondContact O-N 2.94Å; K147-L149 PolarHBondContact O-N 3.36Å; K147-S150 WeakPolarHBondContact O-CB 3.3Å; K147-S150 PolarHBondContact O-N 3.03Å; K147-S150 PolarHBondContact O-OG 3.41Å; K147-L151 HydrophobicContact CG-CD1 4.46Å; K147-L151 WeakPolarHBondContact O-CG 3.48Å; K147-L151 PolarHBondContact O-N 3.3Å; K147-L151 VanDerWaalsContact O-N 3.08Å; K147-A189 HydrophobicContact CD-CB 4.17Å; K147-T192 HydrophobicContact CG-CG2 4.4Å; K147-I193 HydrophobicContact CB-CD1 4.42Å; K147-I193 HydrophobicContact CB-CG1 4.42Å |
| 148 | T | 97.1 | Very high | 94.6 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 8% | 0.08 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 177.4 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | N102 F105 E106 S144 F145 S150 L151 | N102-T148 WeakPolarHBondContact OD1-CB 3.3Å; N102-T148 PolarHBondContact OD1-OG1 3.3Å; F105-T148 HydrophobicContact CB-CG2 4.14Å; E106-T148 HydrophobicContact CB-CG2 3.86Å; S144-T148 PolarHBondContact O-N 3.22Å; S144-T148 PolarHBondContact O-OG1 3.12Å; S144-T148 VanDerWaalsContact O-OG1 3.11Å; F145-T148 PolarHBondContact O-N 2.76Å; T148-S150 VanDerWaalsContact C-N 3.34Å; T148-S150 PolarHBondContact O-N 2.73Å; T148-L151 PolarHBondContact O-N 2.72Å |
| 149 | L | 96.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.6 | -39.1 | 173.4 | -67.8 | 176 | 0 | 0 | 0 | 112.1 | F105 V123 I127 F145 L146 K147 L151 K152 F161 L171 | F105-L149 HydrophobicContact CB-CD2 4.16Å; F105-L149 HydrophobicContact CD1-CD2 3.75Å; F105-L149 HydrophobicContact CD2-CD2 4.1Å; F105-L149 HydrophobicContact CE1-CD2 4.17Å; F105-L149 HydrophobicContact CE2-CD2 4.49Å; F105-L149 HydrophobicContact CG-CD2 3.72Å; V123-L149 HydrophobicContact CG1-CD1 3.59Å; V123-L149 HydrophobicContact CG1-CD2 4.1Å; I127-L149 HydrophobicContact CD1-CD1 3.89Å; I127-L149 HydrophobicContact CG1-CD1 4.23Å; F145-L149 HydrophobicContact CD1-CD1 4.22Å; F145-L149 HydrophobicContact CD2-CD1 4.47Å; F145-L149 HydrophobicContact CD2-CG 4.48Å; F145-L149 HydrophobicContact CE1-CD1 3.75Å; F145-L149 HydrophobicContact CE2-CD1 4.02Å; F145-L149 HydrophobicContact CE2-CD2 4.37Å; F145-L149 HydrophobicContact CE2-CG 4.2Å; F145-L149 HydrophobicContact CZ-CD1 3.66Å; F145-L149 HydrophobicContact CZ-CG 4.34Å; F145-L149 WeakPolarHBondContact O-CG 3.48Å; F145-L149 PolarHBondContact O-N 3.07Å; L146-L149 PolarHBondContact O-N 3.37Å; K147-L149 PolarHBondContact O-N 3.36Å; L149-L151 VanDerWaalsContact C-N 3.26Å; L149-L151 PolarHBondContact O-N 3.41Å; L149-K152 PolarHBondContact O-N 2.87Å; L149-K152 VanDerWaalsContact O-N 3.1Å; L149-F161 HydrophobicContact CB-CZ 4.28Å; L149-F161 HydrophobicContact CD1-CE1 4.2Å; L149-F161 HydrophobicContact CD2-CZ 4.28Å; L149-L171 HydrophobicContact CB-CD1 4.15Å; L149-L171 HydrophobicContact CB-CD2 4.19Å |
| 150 | S | 97.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.5 | -31 | 176.8 | 83.4 | 0 | 0 | 0 | 0 | 113.3 | L146 K147 T148 K152 L153 N196 | L146-S150 PolarHBondContact O-N 3.01Å; K147-S150 WeakPolarHBondContact O-CB 3.3Å; K147-S150 PolarHBondContact O-N 3.03Å; K147-S150 PolarHBondContact O-OG 3.41Å; T148-S150 VanDerWaalsContact C-N 3.34Å; T148-S150 PolarHBondContact O-N 2.73Å; S150-K152 PolarHBondContact O-N 3.23Å; S150-L153 WeakPolarHBondContact O-CB 3.11Å; S150-L153 WeakPolarHBondContact O-CG 3.5Å; S150-L153 PolarHBondContact O-N 3.03Å; S150-N196 PolarHBondContact OG-ND2 2.96Å; S150-N196 VanDerWaalsContact OG-ND2 3.07Å |
| 151 | L | 95.6 | Very high | 94.5 | Very high | 107 Ų | 107 | 38.1 Ų | 38.1 | 56% | 0.56 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -9 | 176.8 | -66.9 | 168.5 | 0 | 0 | 0 | 113.3 | K147 T148 L149 | K147-L151 HydrophobicContact CG-CD1 4.46Å; K147-L151 WeakPolarHBondContact O-CG 3.48Å; K147-L151 PolarHBondContact O-N 3.3Å; K147-L151 VanDerWaalsContact O-N 3.08Å; T148-L151 PolarHBondContact O-N 2.72Å; L149-L151 VanDerWaalsContact C-N 3.26Å; L149-L151 PolarHBondContact O-N 3.41Å |
| 152 | K | 94 | Very high | 94.4 | Very high | 55 Ų | 55 | 35.6 Ų | 35.6 | 24% | 0.239 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 10.5 | 173.1 | -56.1 | -76.2 | 173.6 | 154.1 | 0 | 112 | F105 E106 I108 L114 L149 S150 T157 | F105-K152 WeakPolarHBondContact O-CE 3.48Å; F105-K152 PolarHBondContact O-NZ 3.47Å; E106-K152 PolarHBondContact O-NZ 3.02Å; I108-K152 PolarHBondContact O-NZ 2.85Å; L114-K152 HydrophobicContact CD1-CB 4.46Å; L114-K152 HydrophobicContact CD2-CB 4.17Å; L149-K152 PolarHBondContact O-N 2.87Å; L149-K152 VanDerWaalsContact O-N 3.1Å; S150-K152 PolarHBondContact O-N 3.23Å; K152-T157 PolarHBondContact O-OG1 3.05Å |
| 153 | L | 93.7 | Very high | 94 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 11% | 0.105 | 20% | 0.195 | C | C | . | . | trans | -76.1 | 129.9 | 173.8 | -68.7 | 173.4 | 0 | 0 | 0 | 111.5 | S150 T157 V158 F161 L171 V197 V200 | S150-L153 WeakPolarHBondContact O-CB 3.11Å; S150-L153 WeakPolarHBondContact O-CG 3.5Å; S150-L153 PolarHBondContact O-N 3.03Å; L153-T157 WeakPolarHBondContact CA-OG1 3.42Å; L153-V158 HydrophobicContact CD2-CB 4.18Å; L153-V158 HydrophobicContact CD2-CG2 4.36Å; L153-F161 HydrophobicContact CD2-CD2 3.55Å; L153-F161 HydrophobicContact CD2-CE2 3.76Å; L153-F161 HydrophobicContact CD2-CG 4.49Å; L153-L171 HydrophobicContact CD1-CD2 4.06Å; L153-L171 HydrophobicContact CD2-CD2 4.17Å; L153-L171 HydrophobicContact CG-CD2 4.32Å; L153-V197 HydrophobicContact CD1-CG2 3.76Å; L153-V200 HydrophobicContact CB-CG2 4.14Å | ||
| 154 | N | 91.3 | Very high | 93.5 | Very high | 55 Ų | 55 | 44.1 Ų | 44.1 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | trans | -142.9 | 176.4 | 165.9 | 70.9 | 33.1 | 0 | 0 | 0 | 108.6 | H156 T157 V158 V200 | N154-H156 PolarHBondContact O-N 3.37Å; N154-H156 WeakPolarHBondContact OD1-CA 3.48Å; N154-H156 WeakPolarHBondContact OD1-CB 3.49Å; N154-H156 PolarHBondContact OD1-N 3.36Å; N154-T157 PolarHBondContact N-OG1 2.94Å; N154-T157 PolarHBondContact O-N 3.18Å; N154-T157 PolarHBondContact OD1-N 3.24Å; N154-T157 PolarHBondContact OD1-OG1 3.42Å; N154-V158 WeakPolarHBondContact O-CB 3.37Å; N154-V158 WeakPolarHBondContact O-CG1 3.34Å; N154-V158 PolarHBondContact O-N 3.11Å; N154-V200 VanDerWaalsContact C-CG1 3.45Å; N154-V200 WeakPolarHBondContact O-CG1 3.39Å | ||
| 155 | N | 89.8 | Confident | 93 | Very high | 71 Ų | 71 | 50.4 Ų | 50.4 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -15 | -174.9 | -61.9 | 17.2 | 0 | 0 | 0 | 114.4 | H159 D203 | N155-H159 PolarHBondContact O-CD2 3.14Å; N155-D203 PolarHBondContact ND2-OD2 2.96Å |
| 156 | H | 90.3 | Very high | 92.4 | Very high | 120 Ų | 120 | 54.4 Ų | 54.4 | 56% | 0.556 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -46.9 | 174.6 | -55 | -43.8 | 0 | 0 | 0 | 111.8 | Y115 N154 V158 H159 | Y115-H156 HydrophobicContact CE1-CB 4.17Å; Y115-H156 WeakPolarHBondContact OH-CB 3.36Å; N154-H156 PolarHBondContact O-N 3.37Å; N154-H156 WeakPolarHBondContact OD1-CA 3.48Å; N154-H156 WeakPolarHBondContact OD1-CB 3.49Å; N154-H156 PolarHBondContact OD1-N 3.36Å; H156-V158 VanDerWaalsContact C-N 3.29Å; H156-V158 PolarHBondContact O-N 3.3Å; H156-H159 PolarHBondContact O-N 2.94Å |
| 157 | T | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -69.4 | -24.5 | -176.1 | 60.1 | 0 | 0 | 0 | 0 | 113.3 | L114 Y115 L118 K152 L153 N154 H159 F160 F161 | L114-T157 HydrophobicContact CD2-CG2 4.01Å; Y115-T157 HydrophobicContact CD1-CG2 4.16Å; Y115-T157 HydrophobicContact CE1-CG2 3.55Å; L118-T157 HydrophobicContact CD1-CG2 4.28Å; K152-T157 PolarHBondContact O-OG1 3.05Å; L153-T157 WeakPolarHBondContact CA-OG1 3.42Å; N154-T157 PolarHBondContact N-OG1 2.94Å; N154-T157 PolarHBondContact O-N 3.18Å; N154-T157 PolarHBondContact OD1-N 3.24Å; N154-T157 PolarHBondContact OD1-OG1 3.42Å; T157-H159 PolarHBondContact O-N 2.76Å; T157-F160 WeakPolarHBondContact O-CD2 3.14Å; T157-F160 PolarHBondContact O-N 2.85Å; T157-F160 VanDerWaalsContact O-N 3.15Å; T157-F161 WeakPolarHBondContact O-CD2 3.48Å |
| 158 | V | 91.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -59.4 | -30.6 | 175.9 | 66.1 | 0 | 0 | 0 | 0 | 113.1 | L153 N154 H156 F160 F161 Y162 F169 V200 M207 | L153-V158 HydrophobicContact CD2-CB 4.18Å; L153-V158 HydrophobicContact CD2-CG2 4.36Å; N154-V158 WeakPolarHBondContact O-CB 3.37Å; N154-V158 WeakPolarHBondContact O-CG1 3.34Å; N154-V158 PolarHBondContact O-N 3.11Å; H156-V158 VanDerWaalsContact C-N 3.29Å; H156-V158 PolarHBondContact O-N 3.3Å; V158-F160 PolarHBondContact O-N 3.16Å; V158-F161 PolarHBondContact O-N 3.39Å; V158-Y162 PolarHBondContact O-N 2.8Å; V158-F169 HydrophobicContact CG2-CE1 4.43Å; V158-F169 HydrophobicContact CG2-CZ 3.8Å; V158-V200 HydrophobicContact CB-CG1 3.78Å; V158-V200 HydrophobicContact CG1-CG1 3.81Å; V158-V200 HydrophobicContact CG2-CG1 4.2Å; V158-M207 HydrophobicContact CB-CE 4.4Å; V158-M207 HydrophobicContact CB-SD 4.36Å; V158-M207 HydrophobicContact CG1-CE 3.65Å; V158-M207 HydrophobicContact CG1-SD 3.81Å; V158-M207 HydrophobicContact CG2-CE 4.07Å; V158-M207 HydrophobicContact CG2-SD 3.61Å |
| 159 | H | 90.6 | Very high | 91.3 | Very high | 99 Ų | 99 | 55.2 Ų | 55.2 | 46% | 0.458 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -67.6 | -14.2 | 178.4 | -76.7 | -91.7 | 0 | 0 | 0 | 114.2 | N155 H156 T157 N204 | N155-H159 PolarHBondContact O-CD2 3.14Å; H156-H159 PolarHBondContact O-N 2.94Å; T157-H159 PolarHBondContact O-N 2.76Å; H159-N204 PolarHBondContact CE1-ND2 3.42Å; H159-N204 PolarHBondContact NE2-ND2 3.06Å; H159-N204 VanDerWaalsContact NE2-ND2 3.16Å |
| 160 | F | 93.1 | Very high | 91.1 | Very high | 63 Ų | 63 | 55.4 Ų | 55.4 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -80.7 | -19.2 | 170.7 | -62.4 | -81.6 | 0 | 0 | 0 | 112.7 | Y115 L118 S119 N124 T157 V158 | Y115-F160 HydrophobicContact CD1-CD2 4.36Å; Y115-F160 AromaticContact CD1-CE2 3.43Å; Y115-F160 HydrophobicContact CD1-CE2 3.43Å; Y115-F160 VanDerWaalsContact CD1-CE2 3.43Å; Y115-F160 AromaticContact CD1-CZ 3.87Å; Y115-F160 HydrophobicContact CD1-CZ 3.87Å; Y115-F160 AromaticContact CE1-CE2 3.83Å; Y115-F160 HydrophobicContact CE1-CE2 3.83Å; L118-F160 HydrophobicContact CB-CB 3.79Å; L118-F160 HydrophobicContact CB-CD1 4.02Å; L118-F160 HydrophobicContact CB-CD2 4.08Å; L118-F160 HydrophobicContact CB-CG 3.67Å; L118-F160 HydrophobicContact CD1-CB 4.43Å; L118-F160 HydrophobicContact CD1-CD2 4.18Å; L118-F160 HydrophobicContact CD1-CG 4.45Å; S119-F160 VanDerWaalsContact OG-CE1 3.3Å; S119-F160 WeakPolarHBondContact OG-CE1 3.46Å; N124-F160 PolarHBondContact ND2-O 3.25Å; T157-F160 WeakPolarHBondContact O-CD2 3.14Å; T157-F160 PolarHBondContact O-N 2.85Å; T157-F160 VanDerWaalsContact O-N 3.15Å; V158-F160 PolarHBondContact O-N 3.16Å |
| 161 | F | 94.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -27.9 | -179.8 | -59.9 | -78 | 0 | 0 | 0 | 113.2 | L118 V123 N124 I127 L149 L153 T157 V158 F169 A170 L171 | L118-F161 HydrophobicContact CD1-CE2 4.14Å; L118-F161 HydrophobicContact CD1-CZ 4.37Å; L118-F161 HydrophobicContact CD2-CE1 4.18Å; L118-F161 HydrophobicContact CD2-CE2 4.08Å; L118-F161 HydrophobicContact CD2-CZ 3.5Å; V123-F161 HydrophobicContact CG1-CE1 3.97Å; N124-F161 WeakPolarHBondContact OD1-CD1 3.47Å; I127-F161 HydrophobicContact CD1-CD1 4.02Å; I127-F161 HydrophobicContact CD1-CE1 3.96Å; L149-F161 HydrophobicContact CB-CZ 4.28Å; L149-F161 HydrophobicContact CD1-CE1 4.2Å; L149-F161 HydrophobicContact CD2-CZ 4.28Å; L153-F161 HydrophobicContact CD2-CD2 3.55Å; L153-F161 HydrophobicContact CD2-CE2 3.76Å; L153-F161 HydrophobicContact CD2-CG 4.49Å; T157-F161 WeakPolarHBondContact O-CD2 3.48Å; V158-F161 PolarHBondContact O-N 3.39Å; F161-F169 HydrophobicContact CB-CD2 3.97Å; F161-F169 HydrophobicContact CB-CE2 3.67Å; F161-F169 WeakPolarHBondContact O-CA 3.36Å; F161-A170 PolarHBondContact O-N 3.32Å; F161-L171 HydrophobicContact CB-CB 4.15Å; F161-L171 HydrophobicContact CD1-CB 3.76Å; F161-L171 HydrophobicContact CD1-CD2 4.02Å; F161-L171 HydrophobicContact CD1-CG 4.49Å; F161-L171 HydrophobicContact CD2-CD2 4.3Å; F161-L171 HydrophobicContact CE1-CB 4.44Å; F161-L171 HydrophobicContact CE1-CD2 4.13Å; F161-L171 HydrophobicContact CE2-CD2 4.4Å; F161-L171 HydrophobicContact CG-CB 4.1Å; F161-L171 HydrophobicContact CG-CD2 4.09Å; F161-L171 HydrophobicContact CZ-CD2 4.3Å |
| 162 | Y | 93.3 | Very high | 91.1 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.1 | 175.1 | 173.8 | -107.2 | 0 | 0 | 0 | 112.2 | V158 E164 D168 F169 A206 M207 Y210 | V158-Y162 PolarHBondContact O-N 2.8Å; Y162-E164 HydrophobicContact CE1-CB 3.76Å; Y162-E164 HydrophobicContact CE1-CG 4.31Å; Y162-D168 WeakPolarHBondContact CA-O 3.38Å; Y162-F169 HydrophobicContact CD2-CB 4.02Å; Y162-F169 HydrophobicContact CD2-CD1 4.09Å; Y162-F169 HydrophobicContact CD2-CG 4.21Å; Y162-F169 HydrophobicContact CG-CD1 4.45Å; Y162-A206 HydrophobicContact CE1-CB 4.17Å; Y162-A206 PolarHBondContact OH-O 2.7Å; Y162-M207 HydrophobicContact CD1-CE 3.61Å; Y162-M207 HydrophobicContact CD1-CG 3.38Å; Y162-M207 HydrophobicContact CD1-SD 4.28Å; Y162-M207 HydrophobicContact CD2-CG 4.35Å; Y162-M207 HydrophobicContact CE1-CE 4.48Å; Y162-M207 HydrophobicContact CE1-CG 3.71Å; Y162-M207 HydrophobicContact CG-CE 4.2Å; Y162-M207 HydrophobicContact CG-CG 3.72Å; Y162-Y210 HydrophobicContact CD2-CD1 4.23Å; Y162-Y210 HydrophobicContact CD2-CG 4.42Å; Y162-Y210 AromaticContact CE2-CD1 3.85Å; Y162-Y210 HydrophobicContact CE2-CD1 3.85Å; Y162-Y210 HydrophobicContact CE2-CD2 4.13Å; Y162-Y210 AromaticContact CE2-CG 3.6Å; Y162-Y210 HydrophobicContact CE2-CG 3.6Å |
| 163 | N | 88.4 | Confident | 91.1 | Very high | 76 Ų | 76 | 48 Ų | 48 | 41% | 0.406 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 109 | 171.5 | -177.2 | -35 | 0 | 0 | 0 | 110.3 | H165 T166 N167 D168 | N163-H165 PolarHBondContact OD1-N 3.39Å; N163-T166 VanDerWaalsContact CB-OG1 3.32Å; N163-T166 WeakPolarHBondContact CB-OG1 3.44Å; N163-T166 PolarHBondContact O-N 2.78Å; N163-T166 PolarHBondContact OD1-N 3Å; N163-T166 PolarHBondContact OD1-OG1 3.38Å; N163-N167 WeakPolarHBondContact O-CA 3.39Å; N163-N167 PolarHBondContact O-N 3.23Å; N163-D168 PolarHBondContact N-O 3.43Å; N163-D168 PolarHBondContact O-N 3.34Å; N163-D168 VanDerWaalsContact O-N 3.16Å |
| 164 | E | 86.8 | Confident | 91.2 | Very high | 110 Ų | 110 | 48.5 Ų | 48.5 | 51% | 0.514 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -44.9 | 179.8 | -172.6 | -178 | 158.6 | 0 | 0 | 112.6 | Y162 T166 N167 A206 | Y162-E164 HydrophobicContact CE1-CB 3.76Å; Y162-E164 HydrophobicContact CE1-CG 4.31Å; E164-T166 VanDerWaalsContact C-N 3.33Å; E164-T166 PolarHBondContact O-N 3.39Å; E164-N167 PolarHBondContact O-N 3.1Å; E164-N167 PolarHBondContact O-ND2 2.9Å; E164-A206 HydrophobicContact CG-CB 4.11Å |
| 165 | H | 85.2 | Confident | 91.5 | Very high | 177 Ų | 177 | 45.9 Ų | 45.9 | 82% | 0.819 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -34.9 | -177.1 | -57.8 | -29 | 0 | 0 | 0 | 112.9 | N163 | N163-H165 PolarHBondContact OD1-N 3.39Š|
| 166 | T | 84.9 | Confident | 91.8 | Very high | 84 Ų | 84 | 42.5 Ų | 42.5 | 52% | 0.515 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -11.4 | 176.5 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | N163 E164 D168 | N163-T166 VanDerWaalsContact CB-OG1 3.32Å; N163-T166 WeakPolarHBondContact CB-OG1 3.44Å; N163-T166 PolarHBondContact O-N 2.78Å; N163-T166 PolarHBondContact OD1-N 3Å; N163-T166 PolarHBondContact OD1-OG1 3.38Å; E164-T166 VanDerWaalsContact C-N 3.33Å; E164-T166 PolarHBondContact O-N 3.39Å; T166-D168 WeakPolarHBondContact OG1-CB 3.3Å |
| 167 | N | 85.4 | Confident | 92 | Very high | 65 Ų | 65 | 38.8 Ų | 38.8 | 35% | 0.348 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 59.7 | -168.4 | -84.3 | -119.7 | 0 | 0 | 0 | 110.4 | N163 E164 Y210 | N163-N167 WeakPolarHBondContact O-CA 3.39Å; N163-N167 PolarHBondContact O-N 3.23Å; E164-N167 PolarHBondContact O-N 3.1Å; E164-N167 PolarHBondContact O-ND2 2.9Å; N167-Y210 VanDerWaalsContact C-CE2 3.46Å; N167-Y210 HydrophobicContact CB-CD2 3.87Å; N167-Y210 HydrophobicContact CB-CE2 3.95Å; N167-Y210 WeakPolarHBondContact O-CE2 3.4Å |
| 168 | D | 89.2 | Confident | 92.1 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 20% | 0.203 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 128.2 | -177 | -157 | 13.8 | 0 | 0 | 0 | 110.4 | Y162 N163 T166 K380 | Y162-D168 WeakPolarHBondContact CA-O 3.38Å; N163-D168 PolarHBondContact N-O 3.43Å; N163-D168 PolarHBondContact O-N 3.34Å; N163-D168 VanDerWaalsContact O-N 3.16Å; T166-D168 WeakPolarHBondContact OG1-CB 3.3Å; D168-K380 WeakPolarHBondContact OD1-CE 3.46Å; D168-K380 IonicContact OD1-NZ 2.67Å; D168-K380 PolarHBondContact OD1-NZ 2.9Å; D168-K380 WeakPolarHBondContact OD2-CE 3.27Å; D168-K380 IonicContact OD2-NZ 3.27Å; D168-K380 PolarHBondContact OD2-NZ 3.39Å |
| 169 | F | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 78.2 | -178.7 | -161.9 | 161 | 0 | 0 | 0 | 110.1 | V158 F161 Y162 L171 Y172 T173 V197 Y210 | V158-F169 HydrophobicContact CG2-CE1 4.43Å; V158-F169 HydrophobicContact CG2-CZ 3.8Å; F161-F169 HydrophobicContact CB-CD2 3.97Å; F161-F169 HydrophobicContact CB-CE2 3.67Å; F161-F169 WeakPolarHBondContact O-CA 3.36Å; Y162-F169 HydrophobicContact CD2-CB 4.02Å; Y162-F169 HydrophobicContact CD2-CD1 4.09Å; Y162-F169 HydrophobicContact CD2-CG 4.21Å; Y162-F169 HydrophobicContact CG-CD1 4.45Å; F169-L171 HydrophobicContact CE2-CB 4.35Å; F169-L171 PolarHBondContact O-N 2.84Å; F169-Y172 HydrophobicContact CD1-CD1 4.08Å; F169-Y172 HydrophobicContact CD1-CG 4.38Å; F169-Y172 HydrophobicContact CG-CD1 4.38Å; F169-Y172 PolarHBondContact O-N 2.89Å; F169-Y172 VanDerWaalsContact O-N 3.13Å; F169-T173 PolarHBondContact O-N 3Å; F169-T173 PolarHBondContact O-OG1 3.43Å; F169-T173 VanDerWaalsContact O-OG1 3.06Å; F169-V197 HydrophobicContact CE1-CG1 3.62Å; F169-V197 HydrophobicContact CZ-CG1 3.77Å; F169-V197 HydrophobicContact CZ-CG2 4.06Å; F169-Y210 HydrophobicContact CB-CD1 4.26Å; F169-Y210 HydrophobicContact CB-CE1 3.57Å; F169-Y210 HydrophobicContact CD1-CD1 4.43Å; F169-Y210 HydrophobicContact CD1-CE1 4.41Å |
| 170 | A | 93.1 | Very high | 92.4 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -50.9 | -53.1 | -167 | 0 | 0 | 0 | 0 | 0 | 113.6 | N124 I127 V128 F161 Y172 E174 | N124-A170 HydrophobicContact CB-CB 4.06Å; I127-A170 HydrophobicContact CG2-CB 4.2Å; V128-A170 HydrophobicContact CG2-CB 3.78Å; F161-A170 PolarHBondContact O-N 3.32Å; A170-Y172 VanDerWaalsContact C-N 3.35Å; A170-Y172 PolarHBondContact O-N 3.24Å; A170-E174 WeakPolarHBondContact O-CB 3.43Å; A170-E174 WeakPolarHBondContact O-CG 3.37Å; A170-E174 PolarHBondContact O-N 3.03Å; A170-E174 VanDerWaalsContact O-N 3.1Å |
| 171 | L | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.6 | -45.9 | -178.9 | 178.3 | 57.7 | 0 | 0 | 0 | 112.6 | I127 L146 L149 L153 F161 F169 A175 | I127-L171 HydrophobicContact CD1-CB 4.08Å; I127-L171 HydrophobicContact CD1-CD1 4.24Å; L146-L171 HydrophobicContact CB-CD1 4.03Å; L146-L171 HydrophobicContact CD2-CD1 3.95Å; L146-L171 HydrophobicContact CG-CD1 4.47Å; L149-L171 HydrophobicContact CB-CD1 4.15Å; L149-L171 HydrophobicContact CB-CD2 4.19Å; L153-L171 HydrophobicContact CD1-CD2 4.06Å; L153-L171 HydrophobicContact CD2-CD2 4.17Å; L153-L171 HydrophobicContact CG-CD2 4.32Å; F161-L171 HydrophobicContact CB-CB 4.15Å; F161-L171 HydrophobicContact CD1-CB 3.76Å; F161-L171 HydrophobicContact CD1-CD2 4.02Å; F161-L171 HydrophobicContact CD1-CG 4.49Å; F161-L171 HydrophobicContact CD2-CD2 4.3Å; F161-L171 HydrophobicContact CE1-CB 4.44Å; F161-L171 HydrophobicContact CE1-CD2 4.13Å; F161-L171 HydrophobicContact CE2-CD2 4.4Å; F161-L171 HydrophobicContact CG-CB 4.1Å; F161-L171 HydrophobicContact CG-CD2 4.09Å; F161-L171 HydrophobicContact CZ-CD2 4.3Å; F169-L171 HydrophobicContact CE2-CB 4.35Å; F169-L171 PolarHBondContact O-N 2.84Å; L171-A175 WeakPolarHBondContact O-CB 3.49Å; L171-A175 PolarHBondContact O-N 2.7Å |
| 172 | Y | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.9 | -46.6 | -176.6 | 171.5 | -120 | 0 | 0 | 0 | 112.2 | F169 A170 E174 A175 I176 T194 V197 Y198 I211 T215 | F169-Y172 HydrophobicContact CD1-CD1 4.08Å; F169-Y172 HydrophobicContact CD1-CG 4.38Å; F169-Y172 HydrophobicContact CG-CD1 4.38Å; F169-Y172 PolarHBondContact O-N 2.89Å; F169-Y172 VanDerWaalsContact O-N 3.13Å; A170-Y172 VanDerWaalsContact C-N 3.35Å; A170-Y172 PolarHBondContact O-N 3.24Å; Y172-E174 PolarHBondContact O-N 3.09Å; Y172-A175 PolarHBondContact O-N 2.63Å; Y172-I176 HydrophobicContact CD2-CG2 3.82Å; Y172-I176 HydrophobicContact CE1-CD1 4.33Å; Y172-I176 HydrophobicContact CE2-CD1 4.43Å; Y172-I176 HydrophobicContact CE2-CG2 3.47Å; Y172-I176 VanDerWaalsContact CE2-CG2 3.47Å; Y172-I176 WeakPolarHBondContact O-CG1 3.47Å; Y172-I176 PolarHBondContact O-N 2.92Å; Y172-I176 VanDerWaalsContact O-N 3.08Å; Y172-T194 HydrophobicContact CE2-CG2 4.13Å; Y172-V197 HydrophobicContact CD2-CB 4.22Å; Y172-V197 HydrophobicContact CD2-CG1 3.85Å; Y172-V197 HydrophobicContact CD2-CG2 4.33Å; Y172-V197 HydrophobicContact CE2-CG1 4.39Å; Y172-V197 HydrophobicContact CG-CG1 3.94Å; Y172-Y198 HydrophobicContact CE2-CE1 4.01Å; Y172-Y198 AromaticContact CZ-CE1 4Å; Y172-Y198 PolarHBondContact OH-OH 2.95Å; Y172-I211 HydrophobicContact CD1-CG1 4.42Å; Y172-I211 HydrophobicContact CE1-CG1 3.91Å; Y172-I211 HydrophobicContact CE1-CG2 4.44Å; Y172-T215 HydrophobicContact CD1-CG2 4.48Å; Y172-T215 HydrophobicContact CE1-CG2 3.76Å; Y172-T215 WeakPolarHBondContact CE1-OG1 3.37Å; Y172-T215 PolarHBondContact OH-OG1 2.91Å |
| 173 | T | 94.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 47.6 Ų | 47.6 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.3 | -27.2 | -176.4 | 56.6 | 0 | 0 | 0 | 0 | 114.1 | F169 K177 Y210 T215 | F169-T173 PolarHBondContact O-N 3Å; F169-T173 PolarHBondContact O-OG1 3.43Å; F169-T173 VanDerWaalsContact O-OG1 3.06Å; T173-K177 WeakPolarHBondContact O-CE 3.46Å; T173-Y210 HydrophobicContact CG2-CE1 4.42Å; T173-Y210 VanDerWaalsContact CG2-OH 3.27Å; T173-Y210 WeakPolarHBondContact CG2-OH 3.25Å; T173-T215 HydrophobicContact CG2-CG2 4.37Å |
| 174 | E | 95.5 | Very high | 92.4 | Very high | 30 Ų | 30 | 46.1 Ų | 46.1 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -79.2 | -39.1 | 171.9 | -63.2 | -57.7 | 127.6 | 0 | 0 | 111.2 | I127 V128 A170 Y172 K177 F178 | I127-E174 HydrophobicContact CG2-CB 3.93Å; I127-E174 HydrophobicContact CG2-CG 3.87Å; V128-E174 HydrophobicContact CG2-CG 4.19Å; A170-E174 WeakPolarHBondContact O-CB 3.43Å; A170-E174 WeakPolarHBondContact O-CG 3.37Å; A170-E174 PolarHBondContact O-N 3.03Å; A170-E174 VanDerWaalsContact O-N 3.1Å; Y172-E174 PolarHBondContact O-N 3.09Å; E174-K177 PolarHBondContact O-N 2.9Å; E174-K177 WeakPolarHBondContact OE1-CE 3.49Å; E174-K177 IonicContact OE1-NZ 3.48Å; E174-K177 PolarHBondContact OE1-NZ 3.14Å; E174-K177 WeakPolarHBondContact OE2-CE 3.49Å; E174-K177 IonicContact OE2-NZ 3.45Å; E174-K177 PolarHBondContact OE2-NZ 3.05Å; E174-F178 WeakPolarHBondContact O-CD2 3.32Å; E174-F178 VanDerWaalsContact O-CE2 3.27Å; E174-F178 WeakPolarHBondContact O-CE2 3.49Å |
| 175 | A | 97 | Very high | 92.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -46.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L146 L171 Y172 K177 F178 V190 I193 | L146-A175 HydrophobicContact CD1-CB 3.96Å; L171-A175 WeakPolarHBondContact O-CB 3.49Å; L171-A175 PolarHBondContact O-N 2.7Å; Y172-A175 PolarHBondContact O-N 2.63Å; A175-K177 PolarHBondContact O-N 3.11Å; A175-F178 PolarHBondContact O-N 2.96Å; A175-F178 VanDerWaalsContact O-N 3.17Å; A175-V190 WeakPolarHBondContact O-CG2 3.43Å; A175-I193 HydrophobicContact CB-CB 4.32Å; A175-I193 HydrophobicContact CB-CD1 3.96Å; A175-I193 HydrophobicContact CB-CG2 3.73Å |
| 176 | I | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -66.4 | -11.5 | -174.7 | 62.6 | -178.9 | 0 | 0 | 0 | 114.6 | Y172 F178 F179 T194 Y219 L372 L376 | Y172-I176 HydrophobicContact CD2-CG2 3.82Å; Y172-I176 HydrophobicContact CE1-CD1 4.33Å; Y172-I176 HydrophobicContact CE2-CD1 4.43Å; Y172-I176 HydrophobicContact CE2-CG2 3.47Å; Y172-I176 VanDerWaalsContact CE2-CG2 3.47Å; Y172-I176 WeakPolarHBondContact O-CG1 3.47Å; Y172-I176 PolarHBondContact O-N 2.92Å; Y172-I176 VanDerWaalsContact O-N 3.08Å; I176-F178 PolarHBondContact O-N 3.35Å; I176-F179 WeakPolarHBondContact O-CB 3.47Å; I176-F179 VanDerWaalsContact O-CD1 3.28Å; I176-F179 WeakPolarHBondContact O-CD1 3.37Å; I176-F179 PolarHBondContact O-N 3.08Å; I176-T194 HydrophobicContact CG2-CG2 3.58Å; I176-Y219 HydrophobicContact CB-CD2 4.06Å; I176-Y219 HydrophobicContact CB-CE2 4.14Å; I176-Y219 HydrophobicContact CG2-CD2 4.36Å; I176-Y219 HydrophobicContact CG2-CE2 4.26Å; I176-L372 HydrophobicContact CB-CD2 4.5Å; I176-L372 HydrophobicContact CG1-CD2 4.43Å; I176-L372 WeakPolarHBondContact O-CD2 3.47Å; I176-L376 HydrophobicContact CD1-CD1 3.84Å; I176-L376 HydrophobicContact CD1-CD2 4.08Å; I176-L376 HydrophobicContact CG1-CD1 3.92Å |
| 177 | K | 94.9 | Very high | 93.7 | Very high | 41 Ų | 41 | 35.5 Ų | 35.5 | 18% | 0.178 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -62.7 | -35.1 | 173.7 | -58.4 | -178.5 | -175.8 | 173 | 0 | 111.7 | T173 E174 A175 F179 E373 | T173-K177 WeakPolarHBondContact O-CE 3.46Å; E174-K177 PolarHBondContact O-N 2.9Å; E174-K177 WeakPolarHBondContact OE1-CE 3.49Å; E174-K177 IonicContact OE1-NZ 3.48Å; E174-K177 PolarHBondContact OE1-NZ 3.14Å; E174-K177 WeakPolarHBondContact OE2-CE 3.49Å; E174-K177 IonicContact OE2-NZ 3.45Å; E174-K177 PolarHBondContact OE2-NZ 3.05Å; A175-K177 PolarHBondContact O-N 3.11Å; K177-F179 VanDerWaalsContact C-N 3.29Å; K177-F179 PolarHBondContact O-N 3.14Å; K177-E373 HydrophobicContact CB-CG 4.21Å; K177-E373 HydrophobicContact CD-CG 4.22Å; K177-E373 HydrophobicContact CG-CG 4.07Å |
| 178 | F | 95.3 | Very high | 94.1 | Very high | 23 Ų | 23 | 35.4 Ų | 35.4 | 10% | 0.101 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -88.6 | 14.8 | -175 | -51.1 | -77.6 | 0 | 0 | 0 | 113.7 | F133 M139 Y142 I143 E174 A175 I176 N180 H181 V186 V190 | F133-F178 HydrophobicContact CD2-CE1 4.34Å; F133-F178 HydrophobicContact CD2-CZ 4.16Å; F133-F178 HydrophobicContact CE1-CZ 4.39Å; F133-F178 HydrophobicContact CE2-CE1 4.41Å; F133-F178 AromaticContact CE2-CZ 3.79Å; F133-F178 HydrophobicContact CE2-CZ 3.79Å; F133-F178 AromaticContact CZ-CZ 3.92Å; F133-F178 HydrophobicContact CZ-CZ 3.92Å; M139-F178 HydrophobicContact CE-CD1 3.75Å; M139-F178 HydrophobicContact CE-CE1 3.56Å; M139-F178 HydrophobicContact SD-CD1 3.91Å; M139-F178 HydrophobicContact SD-CE1 3.87Å; M139-F178 HydrophobicContact SD-CZ 4.46Å; Y142-F178 AromaticContact CE1-CE2 3.91Å; Y142-F178 HydrophobicContact CE1-CE2 3.91Å; Y142-F178 HydrophobicContact CE1-CZ 4.35Å; I143-F178 HydrophobicContact CD1-CB 4.13Å; I143-F178 HydrophobicContact CD1-CD2 3.67Å; I143-F178 HydrophobicContact CD1-CE2 4.28Å; I143-F178 HydrophobicContact CD1-CG 3.89Å; E174-F178 WeakPolarHBondContact O-CD2 3.32Å; E174-F178 VanDerWaalsContact O-CE2 3.27Å; E174-F178 WeakPolarHBondContact O-CE2 3.49Å; A175-F178 PolarHBondContact O-N 2.96Å; A175-F178 VanDerWaalsContact O-N 3.17Å; I176-F178 PolarHBondContact O-N 3.35Å; F178-N180 PolarHBondContact O-N 2.99Å; F178-H181 HydrophobicContact CB-CB 4.46Å; F178-H181 WeakPolarHBondContact O-CB 3.45Å; F178-H181 PolarHBondContact O-N 3.13Å; F178-V186 HydrophobicContact CB-CG1 3.86Å; F178-V190 HydrophobicContact CB-CG2 3.85Å |
| 179 | F | 94.8 | Very high | 94.5 | Very high | 20 Ų | 20 | 34 Ų | 34 | 9% | 0.088 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -59.3 | -29.1 | 179.7 | 82.5 | -73.1 | 0 | 0 | 0 | 113.9 | I176 K177 V190 Y219 N222 L223 F226 L372 | I176-F179 WeakPolarHBondContact O-CB 3.47Å; I176-F179 VanDerWaalsContact O-CD1 3.28Å; I176-F179 WeakPolarHBondContact O-CD1 3.37Å; I176-F179 PolarHBondContact O-N 3.08Å; K177-F179 VanDerWaalsContact C-N 3.29Å; K177-F179 PolarHBondContact O-N 3.14Å; F179-V190 HydrophobicContact CB-CG1 4.31Å; F179-Y219 HydrophobicContact CB-CE2 3.72Å; F179-Y219 HydrophobicContact CD2-CE2 4.38Å; F179-Y219 HydrophobicContact CG-CE2 4.02Å; F179-N222 HydrophobicContact CE1-CB 4.4Å; F179-N222 HydrophobicContact CE2-CB 4.14Å; F179-N222 HydrophobicContact CZ-CB 3.7Å; F179-L223 HydrophobicContact CD2-CB 4.43Å; F179-L223 HydrophobicContact CD2-CD1 4.29Å; F179-F226 HydrophobicContact CE2-CB 4.35Å; F179-L372 HydrophobicContact CD1-CD2 3.64Å; F179-L372 HydrophobicContact CE1-CB 4.31Å; F179-L372 HydrophobicContact CE1-CD2 3.79Å; F179-L372 HydrophobicContact CG-CD2 4.45Å |
| 180 | N | 93.4 | Very high | 94.8 | Very high | 80 Ų | 80 | 34 Ų | 34 | 43% | 0.428 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -118.3 | 53.3 | 175.5 | -174.5 | 14.5 | 0 | 0 | 0 | 109.8 | F178 F226 | F178-N180 PolarHBondContact O-N 2.99Å; N180-F226 HydrophobicContact CB-CD1 4.19Å; N180-F226 HydrophobicContact CB-CE1 4.4Å; N180-F226 HydrophobicContact CB-CG 4.38Å; N180-F226 VanDerWaalsContact OD1-CE2 3.26Å; N180-F226 WeakPolarHBondContact OD1-CE2 3.11Å; N180-F226 VanDerWaalsContact OD1-CZ 3.27Å; N180-F226 WeakPolarHBondContact OD1-CZ 3.39Å |
| 181 | H | 93.9 | Very high | 95 | Very high | 38 Ų | 38 | 34.8 Ų | 34.8 | 18% | 0.176 | 18% | 0.182 | C | C | . | . | trans | -83.3 | 142.8 | 167 | -170.4 | -100.1 | 0 | 0 | 0 | 109.4 | F178 E183 V186 R187 | F178-H181 HydrophobicContact CB-CB 4.46Å; F178-H181 WeakPolarHBondContact O-CB 3.45Å; F178-H181 PolarHBondContact O-N 3.13Å; H181-E183 VanDerWaalsContact C-N 3.33Å; H181-E183 WeakPolarHBondContact ND1-CB 3.38Å; H181-E183 PolarHBondContact ND1-N 2.84Å; H181-E183 PolarHBondContact O-N 3.39Å; H181-V186 HydrophobicContact CB-CB 4Å; H181-V186 HydrophobicContact CB-CG1 3.57Å; H181-V186 WeakPolarHBondContact ND1-CB 3.4Å; H181-R187 WeakPolarHBondContact O-CD 3.5Å; H181-R187 VanDerWaalsContact O-CG 3.3Å; H181-R187 WeakPolarHBondContact O-CG 3.5Å; H181-R187 PolarHBondContact O-NH1 3.15Å | ||
| 182 | P | 90.9 | Very high | 95.1 | Very high | 116 Ų | 116 | 36.4 Ų | 36.4 | 75% | 0.753 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -65.8 | -29.6 | -177.7 | 24.8 | -35.2 | 0 | 0 | 0 | 114.1 | R187 | P182-R187 PolarHBondContact O-NH1 3.21Š|
| 183 | E | 91.8 | Very high | 95.2 | Very high | 87 Ų | 87 | 36.4 Ų | 36.4 | 41% | 0.407 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -77.9 | 124 | 174.9 | -167.7 | -166 | 173.6 | 0 | 0 | 111.9 | H181 M185 V186 R187 | H181-E183 VanDerWaalsContact C-N 3.33Å; H181-E183 WeakPolarHBondContact ND1-CB 3.38Å; H181-E183 PolarHBondContact ND1-N 2.84Å; H181-E183 PolarHBondContact O-N 3.39Å; E183-M185 VanDerWaalsContact C-N 3.33Å; E183-M185 HydrophobicContact CG-CB 4.3Å; E183-M185 PolarHBondContact O-N 2.87Å; E183-V186 HydrophobicContact CB-CG2 4.37Å; E183-V186 PolarHBondContact O-N 3.37Å; E183-V186 WeakPolarHBondContact OE2-CG2 3.11Å; E183-R187 PolarHBondContact O-N 3.13Å; E183-R187 PolarHBondContact O-NH1 3.03Å |
| 184 | S | 91.5 | Very high | 95.3 | Very high | 45 Ų | 45 | 36 Ų | 36 | 32% | 0.315 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.4 | -36.6 | -178 | -176.5 | 0 | 0 | 0 | 0 | 113 | V186 R187 I188 | S184-V186 PolarHBondContact O-N 2.9Å; S184-R187 CarbonylContact O-C 3.6Å; S184-R187 WeakPolarHBondContact O-CA 3.32Å; S184-R187 WeakPolarHBondContact O-CB 3.34Å; S184-R187 PolarHBondContact O-N 3.07Å; S184-I188 WeakPolarHBondContact O-CG1 3.42Å; S184-I188 PolarHBondContact O-N 3.43Å |
| 185 | M | 92.3 | Very high | 95.4 | Very high | 130 Ų | 130 | 36.2 Ų | 36.2 | 64% | 0.64 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -58.7 | -34.7 | 177.6 | -66.2 | -64.4 | -76.1 | 0 | 0 | 112.8 | E183 A189 | E183-M185 VanDerWaalsContact C-N 3.33Å; E183-M185 HydrophobicContact CG-CB 4.3Å; E183-M185 PolarHBondContact O-N 2.87Å; M185-A189 WeakPolarHBondContact O-CB 3.46Å; M185-A189 PolarHBondContact O-N 2.79Å |
| 186 | V | 95.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.024 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.9 | -43.5 | 172.9 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | M139 I143 F178 H181 E183 S184 I188 A189 V190 | M139-V186 HydrophobicContact CG-CG2 4.42Å; I143-V186 HydrophobicContact CD1-CG1 4.11Å; I143-V186 HydrophobicContact CG1-CG1 4.01Å; I143-V186 HydrophobicContact CG1-CG2 4.32Å; I143-V186 HydrophobicContact CG2-CG1 4.28Å; I143-V186 HydrophobicContact CG2-CG2 4.38Å; F178-V186 HydrophobicContact CB-CG1 3.86Å; H181-V186 HydrophobicContact CB-CB 4Å; H181-V186 HydrophobicContact CB-CG1 3.57Å; H181-V186 WeakPolarHBondContact ND1-CB 3.4Å; E183-V186 HydrophobicContact CB-CG2 4.37Å; E183-V186 PolarHBondContact O-N 3.37Å; E183-V186 WeakPolarHBondContact OE2-CG2 3.11Å; S184-V186 PolarHBondContact O-N 2.9Å; V186-I188 VanDerWaalsContact C-N 3.34Å; V186-I188 PolarHBondContact O-N 3.46Å; V186-A189 PolarHBondContact O-N 2.7Å; V186-V190 HydrophobicContact CG1-CG2 4.42Å; V186-V190 WeakPolarHBondContact O-CG2 3.39Å; V186-V190 PolarHBondContact O-N 2.83Å |
| 187 | R | 95.5 | Very high | 95.3 | Very high | 15 Ų | 15 | 38 Ų | 38 | 6% | 0.057 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.9 | -47.7 | 174 | -62.2 | -163.2 | -69.6 | -64.8 | 6.2 | 110.9 | H181 P182 E183 S184 A189 V190 R191 E256 | H181-R187 WeakPolarHBondContact O-CD 3.5Å; H181-R187 VanDerWaalsContact O-CG 3.3Å; H181-R187 WeakPolarHBondContact O-CG 3.5Å; H181-R187 PolarHBondContact O-NH1 3.15Å; P182-R187 PolarHBondContact O-NH1 3.21Å; E183-R187 PolarHBondContact O-N 3.13Å; E183-R187 PolarHBondContact O-NH1 3.03Å; S184-R187 CarbonylContact O-C 3.6Å; S184-R187 WeakPolarHBondContact O-CA 3.32Å; S184-R187 WeakPolarHBondContact O-CB 3.34Å; S184-R187 PolarHBondContact O-N 3.07Å; R187-A189 PolarHBondContact O-N 2.81Å; R187-V190 PolarHBondContact O-N 2.97Å; R187-R191 WeakPolarHBondContact O-CB 3.4Å; R187-R191 WeakPolarHBondContact O-CG 3.46Å; R187-R191 PolarHBondContact O-N 3.23Å; R187-E256 IonicContact CZ-OE1 2.68Å; R187-E256 VanDerWaalsContact CZ-OE1 3.24Å; R187-E256 IonicContact CZ-OE2 3.81Å; R187-E256 IonicContact NE-OE1 3.75Å; R187-E256 PolarHBondContact NE-OE1 3.48Å; R187-E256 IonicContact NE-OE2 2.83Å; R187-E256 IonicContact NH2-OE1 3.51Å; R187-E256 PolarHBondContact NH2-OE1 3.05Å; R187-E256 IonicContact NH2-OE2 3.74Å; R187-E256 PolarHBondContact NH2-OE2 3.12Å |
| 188 | I | 95.8 | Very high | 95.3 | Very high | 63 Ų | 63 | 36 Ų | 36 | 32% | 0.323 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 176.8 | -66.1 | 164.2 | 0 | 0 | 0 | 111.8 | S184 V186 R191 T192 | S184-I188 WeakPolarHBondContact O-CG1 3.42Å; S184-I188 PolarHBondContact O-N 3.43Å; V186-I188 VanDerWaalsContact C-N 3.34Å; V186-I188 PolarHBondContact O-N 3.46Å; I188-R191 PolarHBondContact O-N 3.27Å; I188-T192 PolarHBondContact O-N 3.17Å; I188-T192 PolarHBondContact O-OG1 3.41Å |
| 189 | A | 97.6 | Very high | 95.3 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I143 K147 M185 V186 R187 T192 I193 | I143-A189 HydrophobicContact CG2-CB 3.38Å; K147-A189 HydrophobicContact CD-CB 4.17Å; M185-A189 WeakPolarHBondContact O-CB 3.46Å; M185-A189 PolarHBondContact O-N 2.79Å; V186-A189 PolarHBondContact O-N 2.7Å; R187-A189 PolarHBondContact O-N 2.81Å; A189-T192 WeakPolarHBondContact O-CB 3.38Å; A189-T192 PolarHBondContact O-N 3.22Å; A189-I193 WeakPolarHBondContact O-CD1 3.49Å; A189-I193 VanDerWaalsContact O-CG1 3.29Å; A189-I193 WeakPolarHBondContact O-CG1 3.48Å; A189-I193 PolarHBondContact O-N 3.05Å |
| 190 | V | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 175 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | A175 F178 F179 V186 R187 T192 I193 T194 | A175-V190 WeakPolarHBondContact O-CG2 3.43Å; F178-V190 HydrophobicContact CB-CG2 3.85Å; F179-V190 HydrophobicContact CB-CG1 4.31Å; V186-V190 HydrophobicContact CG1-CG2 4.42Å; V186-V190 WeakPolarHBondContact O-CG2 3.39Å; V186-V190 PolarHBondContact O-N 2.83Å; R187-V190 PolarHBondContact O-N 2.97Å; V190-T192 VanDerWaalsContact C-N 3.27Å; V190-T192 PolarHBondContact O-N 3.4Å; V190-I193 PolarHBondContact O-N 3.27Å; V190-I193 VanDerWaalsContact O-N 3.1Å; V190-T194 HydrophobicContact CG1-CG2 4.48Å; V190-T194 PolarHBondContact O-N 2.68Å; V190-T194 PolarHBondContact O-OG1 3.03Å |
| 191 | R | 97.8 | Very high | 94.9 | Very high | 22 Ų | 22 | 37.6 Ų | 37.6 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.6 | -39.5 | 172.8 | -68.9 | 171.3 | 179.3 | 161.1 | -3.2 | 111.8 | R187 I188 T194 L195 D259 H260 Y263 | R187-R191 WeakPolarHBondContact O-CB 3.4Å; R187-R191 WeakPolarHBondContact O-CG 3.46Å; R187-R191 PolarHBondContact O-N 3.23Å; I188-R191 PolarHBondContact O-N 3.27Å; R191-T194 PolarHBondContact O-OG1 3.43Å; R191-L195 VanDerWaalsContact O-CG 3.26Å; R191-L195 WeakPolarHBondContact O-CG 3.44Å; R191-L195 PolarHBondContact O-N 2.95Å; R191-D259 IonicContact CZ-OD2 2.66Å; R191-D259 IonicContact NH1-OD2 2.64Å; R191-D259 PolarHBondContact NH1-OD2 3.45Å; R191-D259 IonicContact NH2-OD2 2.77Å; R191-H260 PolarHBondContact NH2-ND1 3.46Å; R191-H260 VanDerWaalsContact NH2-ND1 3.18Å; R191-Y263 HydrophobicContact CB-CD2 3.62Å; R191-Y263 HydrophobicContact CB-CE2 3.62Å; R191-Y263 HydrophobicContact CB-CG 4.2Å; R191-Y263 HydrophobicContact CG-CD1 3.79Å; R191-Y263 HydrophobicContact CG-CD2 3.54Å; R191-Y263 HydrophobicContact CG-CE1 3.9Å; R191-Y263 HydrophobicContact CG-CE2 3.67Å; R191-Y263 HydrophobicContact CG-CG 3.6Å |
| 192 | T | 97.9 | Very high | 94.6 | Very high | 34 Ų | 34 | 38.8 Ų | 38.8 | 21% | 0.209 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -45.9 | 174.4 | -47.6 | 0 | 0 | 0 | 0 | 111.2 | K147 I188 A189 V190 N196 | K147-T192 HydrophobicContact CG-CG2 4.4Å; I188-T192 PolarHBondContact O-N 3.17Å; I188-T192 PolarHBondContact O-OG1 3.41Å; A189-T192 WeakPolarHBondContact O-CB 3.38Å; A189-T192 PolarHBondContact O-N 3.22Å; V190-T192 VanDerWaalsContact C-N 3.27Å; V190-T192 PolarHBondContact O-N 3.4Å; T192-N196 WeakPolarHBondContact O-CB 3.27Å; T192-N196 VanDerWaalsContact O-CG 3.31Å; T192-N196 PolarHBondContact O-N 2.94Å; T192-N196 VanDerWaalsContact O-N 3.08Å; T192-N196 PolarHBondContact O-ND2 2.94Å |
| 193 | I | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.2 | -42.4 | -177.7 | -64.5 | 157.4 | 0 | 0 | 0 | 111 | L146 K147 A175 A189 V190 V197 | L146-I193 HydrophobicContact CB-CD1 3.71Å; K147-I193 HydrophobicContact CB-CD1 4.42Å; K147-I193 HydrophobicContact CB-CG1 4.42Å; A175-I193 HydrophobicContact CB-CB 4.32Å; A175-I193 HydrophobicContact CB-CD1 3.96Å; A175-I193 HydrophobicContact CB-CG2 3.73Å; A189-I193 WeakPolarHBondContact O-CD1 3.49Å; A189-I193 VanDerWaalsContact O-CG1 3.29Å; A189-I193 WeakPolarHBondContact O-CG1 3.48Å; A189-I193 PolarHBondContact O-N 3.05Å; V190-I193 PolarHBondContact O-N 3.27Å; V190-I193 VanDerWaalsContact O-N 3.1Å; I193-V197 HydrophobicContact CG2-CG2 4.44Å; I193-V197 WeakPolarHBondContact O-CB 3.48Å; I193-V197 VanDerWaalsContact O-CG2 3.27Å; I193-V197 WeakPolarHBondContact O-CG2 3.39Å; I193-V197 PolarHBondContact O-N 2.61Å |
| 194 | T | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.6 | -45.6 | 178.8 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | Y172 I176 V190 R191 N196 V197 Y198 Y263 | Y172-T194 HydrophobicContact CE2-CG2 4.13Å; I176-T194 HydrophobicContact CG2-CG2 3.58Å; V190-T194 HydrophobicContact CG1-CG2 4.48Å; V190-T194 PolarHBondContact O-N 2.68Å; V190-T194 PolarHBondContact O-OG1 3.03Å; R191-T194 PolarHBondContact O-OG1 3.43Å; T194-N196 PolarHBondContact O-N 3.39Å; T194-V197 PolarHBondContact O-N 3.43Å; T194-Y198 WeakPolarHBondContact O-CB 3.34Å; T194-Y198 WeakPolarHBondContact O-CD2 3.4Å; T194-Y198 PolarHBondContact O-N 3.07Å; T194-Y263 WeakPolarHBondContact CB-OH 3.12Å; T194-Y263 PolarHBondContact OG1-OH 3.02Å |
| 195 | L | 96.9 | Very high | 94 | Very high | 34 Ų | 34 | 39.1 Ų | 39.1 | 18% | 0.178 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 176.9 | -66.9 | 170.8 | 0 | 0 | 0 | 111.7 | R191 Y198 K199 Y263 D266 I267 I270 | R191-L195 VanDerWaalsContact O-CG 3.26Å; R191-L195 WeakPolarHBondContact O-CG 3.44Å; R191-L195 PolarHBondContact O-N 2.95Å; L195-Y198 PolarHBondContact O-N 3.2Å; L195-K199 VanDerWaalsContact O-CB 3.3Å; L195-K199 WeakPolarHBondContact O-CB 3.32Å; L195-K199 PolarHBondContact O-N 2.89Å; L195-Y263 HydrophobicContact CD1-CD2 4.29Å; L195-Y263 HydrophobicContact CD1-CE2 4.41Å; L195-Y263 HydrophobicContact CD2-CE2 4.29Å; L195-Y263 HydrophobicContact CG-CD2 4.4Å; L195-Y263 HydrophobicContact CG-CE2 4.08Å; L195-D266 HydrophobicContact CD1-CB 3.92Å; L195-D266 HydrophobicContact CD2-CB 3.77Å; L195-I267 HydrophobicContact CD2-CG1 3.87Å; L195-I270 HydrophobicContact CB-CD1 4.23Å; L195-I270 HydrophobicContact CD2-CD1 3.62Å |
| 196 | N | 96.6 | Very high | 93.7 | Very high | 38 Ų | 38 | 34.1 Ų | 34.1 | 20% | 0.203 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 174.8 | -75.5 | -20.4 | 0 | 0 | 0 | 112 | S150 T192 T194 V200 | S150-N196 PolarHBondContact OG-ND2 2.96Å; S150-N196 VanDerWaalsContact OG-ND2 3.07Å; T192-N196 WeakPolarHBondContact O-CB 3.27Å; T192-N196 VanDerWaalsContact O-CG 3.31Å; T192-N196 PolarHBondContact O-N 2.94Å; T192-N196 VanDerWaalsContact O-N 3.08Å; T192-N196 PolarHBondContact O-ND2 2.94Å; T194-N196 PolarHBondContact O-N 3.39Å; N196-V200 WeakPolarHBondContact O-CG2 3.3Å; N196-V200 PolarHBondContact O-N 3.46Å; N196-V200 VanDerWaalsContact O-N 3.15Å |
| 197 | V | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.6 | -45.6 | 177.8 | 167 | 0 | 0 | 0 | 0 | 111.6 | L153 F169 Y172 I193 T194 V200 S201 I211 | L153-V197 HydrophobicContact CD1-CG2 3.76Å; F169-V197 HydrophobicContact CE1-CG1 3.62Å; F169-V197 HydrophobicContact CZ-CG1 3.77Å; F169-V197 HydrophobicContact CZ-CG2 4.06Å; Y172-V197 HydrophobicContact CD2-CB 4.22Å; Y172-V197 HydrophobicContact CD2-CG1 3.85Å; Y172-V197 HydrophobicContact CD2-CG2 4.33Å; Y172-V197 HydrophobicContact CE2-CG1 4.39Å; Y172-V197 HydrophobicContact CG-CG1 3.94Å; I193-V197 HydrophobicContact CG2-CG2 4.44Å; I193-V197 WeakPolarHBondContact O-CB 3.48Å; I193-V197 VanDerWaalsContact O-CG2 3.27Å; I193-V197 WeakPolarHBondContact O-CG2 3.39Å; I193-V197 PolarHBondContact O-N 2.61Å; T194-V197 PolarHBondContact O-N 3.43Å; V197-V200 PolarHBondContact O-N 3.32Å; V197-S201 WeakPolarHBondContact O-CB 3.14Å; V197-S201 PolarHBondContact O-N 3.29Å; V197-S201 PolarHBondContact O-OG 2.61Å; V197-I211 HydrophobicContact CG1-CD1 4.06Å |
| 198 | Y | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 179.3 | -64.2 | -24.3 | 0 | 0 | 0 | 111.6 | Y172 T194 L195 V200 S201 L202 I211 I267 L275 | Y172-Y198 HydrophobicContact CE2-CE1 4.01Å; Y172-Y198 AromaticContact CZ-CE1 4Å; Y172-Y198 PolarHBondContact OH-OH 2.95Å; T194-Y198 WeakPolarHBondContact O-CB 3.34Å; T194-Y198 WeakPolarHBondContact O-CD2 3.4Å; T194-Y198 PolarHBondContact O-N 3.07Å; L195-Y198 PolarHBondContact O-N 3.2Å; Y198-V200 PolarHBondContact O-N 2.92Å; Y198-S201 PolarHBondContact O-N 3.34Å; Y198-L202 PolarHBondContact O-N 3.44Å; Y198-I211 HydrophobicContact CD1-CD1 4.35Å; Y198-I211 HydrophobicContact CD1-CG2 4.34Å; Y198-I211 HydrophobicContact CE1-CG2 3.81Å; Y198-I267 HydrophobicContact CD2-CG1 4.39Å; Y198-I267 HydrophobicContact CD2-CG2 4.37Å; Y198-I267 HydrophobicContact CE2-CD1 4.4Å; Y198-I267 HydrophobicContact CE2-CG1 4.23Å; Y198-I267 HydrophobicContact CE2-CG2 4.37Å; Y198-L275 HydrophobicContact CD1-CD1 3.71Å; Y198-L275 HydrophobicContact CD2-CD1 4.15Å; Y198-L275 HydrophobicContact CE1-CD1 4.14Å; Y198-L275 HydrophobicContact CG-CD1 3.71Å |
| 199 | K | 94.4 | Very high | 92.8 | Very high | 141 Ų | 141 | 35.2 Ų | 35.2 | 61% | 0.613 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -59 | -45.4 | 177.5 | -176.4 | 177.7 | -179 | 177.5 | 0 | 112.8 | L195 S201 | L195-K199 VanDerWaalsContact O-CB 3.3Å; L195-K199 WeakPolarHBondContact O-CB 3.32Å; L195-K199 PolarHBondContact O-N 2.89Å; K199-S201 VanDerWaalsContact C-N 3.33Å |
| 200 | V | 92.6 | Very high | 92.4 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -76.3 | -21 | 179.5 | 175.7 | 0 | 0 | 0 | 0 | 112.3 | L153 N154 V158 N196 V197 Y198 L202 | L153-V200 HydrophobicContact CB-CG2 4.14Å; N154-V200 VanDerWaalsContact C-CG1 3.45Å; N154-V200 WeakPolarHBondContact O-CG1 3.39Å; V158-V200 HydrophobicContact CB-CG1 3.78Å; V158-V200 HydrophobicContact CG1-CG1 3.81Å; V158-V200 HydrophobicContact CG2-CG1 4.2Å; N196-V200 WeakPolarHBondContact O-CG2 3.3Å; N196-V200 PolarHBondContact O-N 3.46Å; N196-V200 VanDerWaalsContact O-N 3.15Å; V197-V200 PolarHBondContact O-N 3.32Å; Y198-V200 PolarHBondContact O-N 2.92Å; V200-L202 VanDerWaalsContact C-N 3.34Å |
| 201 | S | 89 | Confident | 92.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.9 | -19.6 | 177.5 | -60.5 | 0 | 0 | 0 | 0 | 113.7 | V197 Y198 K199 D203 N204 L208 I211 | V197-S201 WeakPolarHBondContact O-CB 3.14Å; V197-S201 PolarHBondContact O-N 3.29Å; V197-S201 PolarHBondContact O-OG 2.61Å; Y198-S201 PolarHBondContact O-N 3.34Å; K199-S201 VanDerWaalsContact C-N 3.33Å; S201-D203 VanDerWaalsContact C-N 3.27Å; S201-D203 PolarHBondContact O-N 2.89Å; S201-N204 CarbonylContact O-C 3.43Å; S201-N204 PolarHBondContact O-N 3.16Å; S201-L208 VanDerWaalsContact O-CG 3.25Å; S201-L208 WeakPolarHBondContact O-CG 3.44Å; S201-I211 VanDerWaalsContact OG-CD1 3.29Å; S201-I211 WeakPolarHBondContact OG-CD1 3.28Å |
| 202 | L | 87.8 | Confident | 91.6 | Very high | 62 Ų | 62 | 38.1 Ų | 38.1 | 33% | 0.325 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -44 | -176.4 | -74.6 | 172.9 | 0 | 0 | 0 | 113.4 | Y198 V200 N204 I270 C272 | Y198-L202 PolarHBondContact O-N 3.44Å; V200-L202 VanDerWaalsContact C-N 3.34Å; L202-N204 VanDerWaalsContact C-N 3.28Å; L202-N204 PolarHBondContact O-N 3.41Å; L202-I270 HydrophobicContact CD1-CG2 4.16Å; L202-I270 HydrophobicContact CD2-CG2 4.42Å; L202-I270 HydrophobicContact CG-CG2 4.42Å; L202-C272 HydrophobicContact CD2-CB 3.67Å |
| 203 | D | 84.6 | Confident | 91 | Very high | 122 Ų | 122 | 40.6 Ų | 40.6 | 65% | 0.652 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -2.9 | -179 | -64.4 | -46 | 0 | 0 | 0 | 113.6 | N155 S201 | N155-D203 PolarHBondContact ND2-OD2 2.96Å; S201-D203 VanDerWaalsContact C-N 3.27Å; S201-D203 PolarHBondContact O-N 2.89Å |
| 204 | N | 88 | Confident | 90.5 | Very high | 27 Ų | 27 | 43.6 Ų | 43.6 | 14% | 0.144 | 21% | 0.214 | C | C | . | . | trans | -122.6 | 96.8 | -174.6 | -166.8 | -58.4 | 0 | 0 | 0 | 113.1 | H159 S201 L202 A206 M207 L208 | H159-N204 PolarHBondContact CE1-ND2 3.42Å; H159-N204 PolarHBondContact NE2-ND2 3.06Å; H159-N204 VanDerWaalsContact NE2-ND2 3.16Å; S201-N204 CarbonylContact O-C 3.43Å; S201-N204 PolarHBondContact O-N 3.16Å; L202-N204 VanDerWaalsContact C-N 3.28Å; L202-N204 PolarHBondContact O-N 3.41Å; N204-A206 VanDerWaalsContact C-N 3.29Å; N204-A206 PolarHBondContact O-N 3.18Å; N204-A206 PolarHBondContact OD1-N 2.91Å; N204-A206 VanDerWaalsContact OD1-N 3.14Å; N204-M207 HydrophobicContact CB-CB 4.11Å; N204-M207 HydrophobicContact CB-CE 4.27Å; N204-M207 HydrophobicContact CB-CG 4.1Å; N204-M207 HydrophobicContact CB-SD 3.65Å; N204-M207 VanDerWaalsContact CG-SD 3.51Å; N204-M207 VanDerWaalsContact ND2-CE 3.26Å; N204-M207 WeakPolarHBondContact ND2-CE 3.46Å; N204-M207 PolarHBondContact O-N 3.39Å; N204-M207 VanDerWaalsContact O-N 3.14Å; N204-M207 WeakPolarHBondContact OD1-CG 3.48Å; N204-M207 PolarHBondContact OD1-N 3.37Å; N204-L208 WeakPolarHBondContact O-CG 3.43Å; N204-L208 PolarHBondContact O-N 2.99Å | ||
| 205 | Q | 87.3 | Confident | 90.3 | Very high | 107 Ų | 107 | 43.6 Ų | 43.6 | 50% | 0.5 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.4 | -34 | -179.1 | -62.8 | -61 | -45.8 | 0 | 0 | 114.1 | L208 H209 | Q205-L208 PolarHBondContact O-N 3.34Å; Q205-H209 WeakPolarHBondContact O-CB 3.11Å; Q205-H209 PolarHBondContact O-CD2 3.22Å; Q205-H209 PolarHBondContact O-N 3.25Å |
| 206 | A | 87.3 | Confident | 90 | Very high | 25 Ų | 25 | 42 Ų | 42 | 21% | 0.207 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.6 | -40.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y162 E164 N204 Y210 | Y162-A206 HydrophobicContact CE1-CB 4.17Å; Y162-A206 PolarHBondContact OH-O 2.7Å; E164-A206 HydrophobicContact CG-CB 4.11Å; N204-A206 VanDerWaalsContact C-N 3.29Å; N204-A206 PolarHBondContact O-N 3.18Å; N204-A206 PolarHBondContact OD1-N 2.91Å; N204-A206 VanDerWaalsContact OD1-N 3.14Å; A206-Y210 WeakPolarHBondContact O-CB 3.5Å; A206-Y210 PolarHBondContact O-N 3.42Å |
| 207 | M | 90.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.7 | -42.8 | 174 | -66.5 | 167.4 | -160.4 | 0 | 0 | 111.4 | V158 Y162 N204 Y210 I211 | V158-M207 HydrophobicContact CB-CE 4.4Å; V158-M207 HydrophobicContact CB-SD 4.36Å; V158-M207 HydrophobicContact CG1-CE 3.65Å; V158-M207 HydrophobicContact CG1-SD 3.81Å; V158-M207 HydrophobicContact CG2-CE 4.07Å; V158-M207 HydrophobicContact CG2-SD 3.61Å; Y162-M207 HydrophobicContact CD1-CE 3.61Å; Y162-M207 HydrophobicContact CD1-CG 3.38Å; Y162-M207 HydrophobicContact CD1-SD 4.28Å; Y162-M207 HydrophobicContact CD2-CG 4.35Å; Y162-M207 HydrophobicContact CE1-CE 4.48Å; Y162-M207 HydrophobicContact CE1-CG 3.71Å; Y162-M207 HydrophobicContact CG-CE 4.2Å; Y162-M207 HydrophobicContact CG-CG 3.72Å; N204-M207 HydrophobicContact CB-CB 4.11Å; N204-M207 HydrophobicContact CB-CE 4.27Å; N204-M207 HydrophobicContact CB-CG 4.1Å; N204-M207 HydrophobicContact CB-SD 3.65Å; N204-M207 VanDerWaalsContact CG-SD 3.51Å; N204-M207 VanDerWaalsContact ND2-CE 3.26Å; N204-M207 WeakPolarHBondContact ND2-CE 3.46Å; N204-M207 PolarHBondContact O-N 3.39Å; N204-M207 VanDerWaalsContact O-N 3.14Å; N204-M207 WeakPolarHBondContact OD1-CG 3.48Å; N204-M207 PolarHBondContact OD1-N 3.37Å; M207-Y210 WeakPolarHBondContact O-CB 3.39Å; M207-Y210 PolarHBondContact O-N 3.49Å; M207-I211 WeakPolarHBondContact O-CB 3.32Å; M207-I211 VanDerWaalsContact O-CG1 3.26Å; M207-I211 WeakPolarHBondContact O-CG1 3.4Å; M207-I211 PolarHBondContact O-N 2.89Å |
| 208 | L | 88.6 | Confident | 89.5 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61 | -47.3 | 175.8 | -67.5 | 175 | 0 | 0 | 0 | 112.2 | S201 N204 Q205 Y210 I211 R212 | S201-L208 VanDerWaalsContact O-CG 3.25Å; S201-L208 WeakPolarHBondContact O-CG 3.44Å; N204-L208 WeakPolarHBondContact O-CG 3.43Å; N204-L208 PolarHBondContact O-N 2.99Å; Q205-L208 PolarHBondContact O-N 3.34Å; L208-Y210 VanDerWaalsContact C-N 3.33Å; L208-Y210 PolarHBondContact O-N 3.33Å; L208-I211 PolarHBondContact O-N 2.61Å; L208-R212 VanDerWaalsContact O-CB 3.3Å; L208-R212 WeakPolarHBondContact O-CB 3.49Å; L208-R212 PolarHBondContact O-N 3.3Å |
| 209 | H | 88.2 | Confident | 89.5 | Confident | 89 Ų | 89 | 44.4 Ų | 44.4 | 41% | 0.412 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 174.9 | -81.9 | -58.5 | 0 | 0 | 0 | 112.1 | Q205 D213 | Q205-H209 WeakPolarHBondContact O-CB 3.11Å; Q205-H209 PolarHBondContact O-CD2 3.22Å; Q205-H209 PolarHBondContact O-N 3.25Å; H209-D213 VanDerWaalsContact O-CB 3.27Å; H209-D213 WeakPolarHBondContact O-CB 3.49Å; H209-D213 PolarHBondContact O-N 3.04Å |
| 210 | Y | 90.6 | Very high | 89.6 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 6% | 0.063 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.7 | -51.1 | 174.9 | 173.4 | -101.7 | 0 | 0 | 0 | 112.2 | Y162 N167 F169 T173 A206 M207 L208 K214 T215 | Y162-Y210 HydrophobicContact CD2-CD1 4.23Å; Y162-Y210 HydrophobicContact CD2-CG 4.42Å; Y162-Y210 AromaticContact CE2-CD1 3.85Å; Y162-Y210 HydrophobicContact CE2-CD1 3.85Å; Y162-Y210 HydrophobicContact CE2-CD2 4.13Å; Y162-Y210 AromaticContact CE2-CG 3.6Å; Y162-Y210 HydrophobicContact CE2-CG 3.6Å; N167-Y210 VanDerWaalsContact C-CE2 3.46Å; N167-Y210 HydrophobicContact CB-CD2 3.87Å; N167-Y210 HydrophobicContact CB-CE2 3.95Å; N167-Y210 WeakPolarHBondContact O-CE2 3.4Å; F169-Y210 HydrophobicContact CB-CD1 4.26Å; F169-Y210 HydrophobicContact CB-CE1 3.57Å; F169-Y210 HydrophobicContact CD1-CD1 4.43Å; F169-Y210 HydrophobicContact CD1-CE1 4.41Å; T173-Y210 HydrophobicContact CG2-CE1 4.42Å; T173-Y210 VanDerWaalsContact CG2-OH 3.27Å; T173-Y210 WeakPolarHBondContact CG2-OH 3.25Å; A206-Y210 WeakPolarHBondContact O-CB 3.5Å; A206-Y210 PolarHBondContact O-N 3.42Å; M207-Y210 WeakPolarHBondContact O-CB 3.39Å; M207-Y210 PolarHBondContact O-N 3.49Å; L208-Y210 VanDerWaalsContact C-N 3.33Å; L208-Y210 PolarHBondContact O-N 3.33Å; Y210-K214 HydrophobicContact CD2-CB 4.15Å; Y210-K214 HydrophobicContact CD2-CG 3.62Å; Y210-K214 HydrophobicContact CE2-CB 3.95Å; Y210-K214 HydrophobicContact CE2-CG 3.72Å; Y210-K214 HydrophobicContact CG-CG 4.45Å; Y210-K214 WeakPolarHBondContact O-CB 3.28Å; Y210-K214 WeakPolarHBondContact O-CG 3.09Å; Y210-K214 PolarHBondContact O-N 2.86Å; Y210-T215 HydrophobicContact CE1-CG2 4.18Å |
| 211 | I | 91.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.7 | -53 | -179.8 | -69.1 | 167.4 | 0 | 0 | 0 | 109.3 | Y172 V197 Y198 S201 M207 L208 D213 T215 A216 L275 | Y172-I211 HydrophobicContact CD1-CG1 4.42Å; Y172-I211 HydrophobicContact CE1-CG1 3.91Å; Y172-I211 HydrophobicContact CE1-CG2 4.44Å; V197-I211 HydrophobicContact CG1-CD1 4.06Å; Y198-I211 HydrophobicContact CD1-CD1 4.35Å; Y198-I211 HydrophobicContact CD1-CG2 4.34Å; Y198-I211 HydrophobicContact CE1-CG2 3.81Å; S201-I211 VanDerWaalsContact OG-CD1 3.29Å; S201-I211 WeakPolarHBondContact OG-CD1 3.28Å; M207-I211 WeakPolarHBondContact O-CB 3.32Å; M207-I211 VanDerWaalsContact O-CG1 3.26Å; M207-I211 WeakPolarHBondContact O-CG1 3.4Å; M207-I211 PolarHBondContact O-N 2.89Å; L208-I211 PolarHBondContact O-N 2.61Å; I211-D213 PolarHBondContact O-N 3.45Å; I211-T215 WeakPolarHBondContact CA-OG1 3.36Å; I211-T215 CarbonylContact O-C 3.57Å; I211-T215 PolarHBondContact O-N 3.25Å; I211-T215 PolarHBondContact O-OG1 2.91Å; I211-A216 HydrophobicContact CG2-CB 4.4Å; I211-A216 PolarHBondContact O-N 3.28Å; I211-L275 HydrophobicContact CG2-CD2 3.9Å |
| 212 | R | 87.2 | Confident | 89.9 | Confident | 75 Ų | 75 | 38.7 Ų | 38.7 | 28% | 0.283 | 20% | 0.198 | S | C | . | . | I | π-helix | trans | -57.5 | -52.2 | -179.2 | -165.8 | -166.3 | 70.6 | -178.5 | -0.1 | 112.3 | L208 V278 | L208-R212 VanDerWaalsContact O-CB 3.3Å; L208-R212 WeakPolarHBondContact O-CB 3.49Å; L208-R212 PolarHBondContact O-N 3.3Å; R212-V278 HydrophobicContact CG-CG2 4.31Å |
| 213 | D | 85.3 | Confident | 90.3 | Very high | 85 Ų | 85 | 35.8 Ų | 35.8 | 46% | 0.455 | 18% | 0.183 | S | C | . | . | I | π-helix | trans | -86 | -13.3 | -169.5 | -65.1 | -1.6 | 0 | 0 | 0 | 114 | H209 I211 | H209-D213 VanDerWaalsContact O-CB 3.27Å; H209-D213 WeakPolarHBondContact O-CB 3.49Å; H209-D213 PolarHBondContact O-N 3.04Å; I211-D213 PolarHBondContact O-N 3.45Å |
| 214 | K | 87.6 | Confident | 90.8 | Very high | 64 Ų | 64 | 30 Ų | 30 | 28% | 0.278 | 15% | 0.152 | S | C | . | . | I | π-helix | trans | -119.3 | -29.7 | -177.3 | -51.3 | -60.1 | 173 | -159.1 | 0 | 115.1 | Y210 N379 | Y210-K214 HydrophobicContact CD2-CB 4.15Å; Y210-K214 HydrophobicContact CD2-CG 3.62Å; Y210-K214 HydrophobicContact CE2-CB 3.95Å; Y210-K214 HydrophobicContact CE2-CG 3.72Å; Y210-K214 HydrophobicContact CG-CG 4.45Å; Y210-K214 WeakPolarHBondContact O-CB 3.28Å; Y210-K214 WeakPolarHBondContact O-CG 3.09Å; Y210-K214 PolarHBondContact O-N 2.86Å; K214-N379 HydrophobicContact CD-CB 4.35Å; K214-N379 PolarHBondContact O-ND2 3.34Å |
| 215 | T | 91.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -127.8 | -41.2 | -168.2 | 72.3 | 0 | 0 | 0 | 0 | 114.3 | Y172 T173 Y210 I211 V217 P218 Y219 L376 | Y172-T215 HydrophobicContact CD1-CG2 4.48Å; Y172-T215 HydrophobicContact CE1-CG2 3.76Å; Y172-T215 WeakPolarHBondContact CE1-OG1 3.37Å; Y172-T215 PolarHBondContact OH-OG1 2.91Å; T173-T215 HydrophobicContact CG2-CG2 4.37Å; Y210-T215 HydrophobicContact CE1-CG2 4.18Å; I211-T215 WeakPolarHBondContact CA-OG1 3.36Å; I211-T215 CarbonylContact O-C 3.57Å; I211-T215 PolarHBondContact O-N 3.25Å; I211-T215 PolarHBondContact O-OG1 2.91Å; T215-V217 PolarHBondContact O-N 3.32Å; T215-P218 VanDerWaalsContact O-CD 3.22Å; T215-P218 WeakPolarHBondContact O-CD 3.47Å; T215-P218 VanDerWaalsContact O-CG 3.32Å; T215-P218 WeakPolarHBondContact O-CG 3.41Å; T215-Y219 WeakPolarHBondContact O-CB 2.85Å; T215-Y219 PolarHBondContact O-N 3.39Å; T215-L376 HydrophobicContact CG2-CD2 3.75Å |
| 216 | A | 90.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -60.7 | -47.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I211 Y219 F220 L275 | I211-A216 HydrophobicContact CG2-CB 4.4Å; I211-A216 PolarHBondContact O-N 3.28Å; A216-Y219 PolarHBondContact O-N 3Å; A216-F220 HydrophobicContact CB-CD2 4.3Å; A216-F220 HydrophobicContact CB-CE2 4.09Å; A216-F220 WeakPolarHBondContact O-CB 3.49Å; A216-F220 WeakPolarHBondContact O-CD2 3.33Å; A216-F220 WeakPolarHBondContact O-CG 3.37Å; A216-F220 PolarHBondContact O-N 2.77Å; A216-L275 HydrophobicContact CB-CD2 4.02Å |
| 217 | V | 90.7 | Very high | 91.9 | Very high | 65 Ų | 65 | 27.1 Ų | 27.1 | 39% | 0.394 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -59.5 | -56.3 | 178.2 | -180 | 0 | 0 | 0 | 0 | 112.6 | T215 Y219 S221 V278 | T215-V217 PolarHBondContact O-N 3.32Å; V217-Y219 VanDerWaalsContact C-N 3.33Å; V217-Y219 PolarHBondContact O-N 3.46Å; V217-S221 WeakPolarHBondContact O-CB 3.45Å; V217-S221 PolarHBondContact O-N 3.43Å; V217-V278 HydrophobicContact CG2-CG1 3.87Å |
| 218 | P | 92 | Very high | 92.2 | Very high | 21 Ų | 21 | 27.1 Ų | 27.1 | 14% | 0.136 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.8 | -32 | 177.6 | 25.2 | -33.5 | 0 | 0 | 0 | 112.9 | T215 N222 L372 | T215-P218 VanDerWaalsContact O-CD 3.22Å; T215-P218 WeakPolarHBondContact O-CD 3.47Å; T215-P218 VanDerWaalsContact O-CG 3.32Å; T215-P218 WeakPolarHBondContact O-CG 3.41Å; P218-N222 WeakPolarHBondContact O-CB 3.43Å; P218-N222 PolarHBondContact O-N 2.84Å; P218-N222 VanDerWaalsContact O-N 3.13Å; P218-N222 PolarHBondContact O-ND2 2.92Å; P218-L372 HydrophobicContact CB-CD1 4.07Å; P218-L372 HydrophobicContact CG-CD1 4.46Å |
| 219 | Y | 95 | Very high | 92.4 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.7 | -58.5 | 177.3 | 177.8 | -114 | 0 | 0 | 0 | 111.6 | I176 F179 T215 A216 V217 S221 N222 L223 Y263 L372 | I176-Y219 HydrophobicContact CB-CD2 4.06Å; I176-Y219 HydrophobicContact CB-CE2 4.14Å; I176-Y219 HydrophobicContact CG2-CD2 4.36Å; I176-Y219 HydrophobicContact CG2-CE2 4.26Å; F179-Y219 HydrophobicContact CB-CE2 3.72Å; F179-Y219 HydrophobicContact CD2-CE2 4.38Å; F179-Y219 HydrophobicContact CG-CE2 4.02Å; T215-Y219 WeakPolarHBondContact O-CB 2.85Å; T215-Y219 PolarHBondContact O-N 3.39Å; A216-Y219 PolarHBondContact O-N 3Å; V217-Y219 VanDerWaalsContact C-N 3.33Å; V217-Y219 PolarHBondContact O-N 3.46Å; Y219-S221 VanDerWaalsContact C-N 3.32Å; Y219-S221 PolarHBondContact O-N 3.38Å; Y219-N222 PolarHBondContact O-N 3.32Å; Y219-L223 HydrophobicContact CE1-CD2 4.2Å; Y219-L223 WeakPolarHBondContact O-CB 3.38Å; Y219-L223 PolarHBondContact O-N 2.72Å; Y219-Y263 PolarHBondContact OH-OH 3.45Å; Y219-L372 HydrophobicContact CD2-CD2 3.84Å |
| 220 | F | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.1 | -37 | 178.8 | -61.8 | -31 | 0 | 0 | 0 | 111.6 | A216 N222 L223 V224 I267 L275 V278 L279 H282 | A216-F220 HydrophobicContact CB-CD2 4.3Å; A216-F220 HydrophobicContact CB-CE2 4.09Å; A216-F220 WeakPolarHBondContact O-CB 3.49Å; A216-F220 WeakPolarHBondContact O-CD2 3.33Å; A216-F220 WeakPolarHBondContact O-CG 3.37Å; A216-F220 PolarHBondContact O-N 2.77Å; F220-N222 VanDerWaalsContact C-N 3.28Å; F220-N222 PolarHBondContact O-N 3.03Å; F220-L223 HydrophobicContact CD1-CD2 4.35Å; F220-L223 PolarHBondContact O-N 2.95Å; F220-V224 VanDerWaalsContact O-CB 3.23Å; F220-V224 WeakPolarHBondContact O-CB 3.45Å; F220-V224 WeakPolarHBondContact O-CG2 3.37Å; F220-V224 PolarHBondContact O-N 3.38Å; F220-I267 HydrophobicContact CE1-CD1 4.12Å; F220-I267 HydrophobicContact CZ-CG2 4.37Å; F220-L275 HydrophobicContact CE2-CD2 4.34Å; F220-L275 HydrophobicContact CZ-CD2 4.44Å; F220-V278 HydrophobicContact CD2-CB 4.5Å; F220-V278 HydrophobicContact CD2-CG1 4.06Å; F220-L279 HydrophobicContact CB-CD1 4.21Å; F220-L279 HydrophobicContact CD1-CD1 3.82Å; F220-L279 HydrophobicContact CD2-CB 4.02Å; F220-L279 HydrophobicContact CD2-CD1 4.03Å; F220-L279 HydrophobicContact CE1-CD1 4.14Å; F220-L279 HydrophobicContact CE2-CB 3.85Å; F220-L279 HydrophobicContact CE2-CD1 4.33Å; F220-L279 HydrophobicContact CG-CD1 3.78Å; F220-L279 HydrophobicContact CZ-CB 4.31Å; F220-L279 HydrophobicContact CZ-CD1 4.39Å; F220-H282 HydrophobicContact CB-CB 4.36Å |
| 221 | S | 93.6 | Very high | 93 | Very high | 14 Ų | 14 | 23.8 Ų | 23.8 | 10% | 0.098 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.7 | -30.2 | 173.4 | -174.5 | 0 | 0 | 0 | 0 | 114 | V217 Y219 W225 R286 P368 | V217-S221 WeakPolarHBondContact O-CB 3.45Å; V217-S221 PolarHBondContact O-N 3.43Å; Y219-S221 VanDerWaalsContact C-N 3.32Å; Y219-S221 PolarHBondContact O-N 3.38Å; S221-W225 WeakPolarHBondContact O-CB 3.17Å; S221-R286 PolarHBondContact OG-NH1 2.98Å; S221-P368 VanDerWaalsContact O-CG 3.26Å; S221-P368 WeakPolarHBondContact O-CG 3.32Å |
| 222 | N | 94.6 | Very high | 93.1 | Very high | 22 Ų | 22 | 26 Ų | 26 | 12% | 0.118 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -84.6 | -38.7 | 175.7 | -83.5 | -96.8 | 0 | 0 | 0 | 111.8 | F179 P218 Y219 F220 W225 F226 L372 | F179-N222 HydrophobicContact CE1-CB 4.4Å; F179-N222 HydrophobicContact CE2-CB 4.14Å; F179-N222 HydrophobicContact CZ-CB 3.7Å; P218-N222 WeakPolarHBondContact O-CB 3.43Å; P218-N222 PolarHBondContact O-N 2.84Å; P218-N222 VanDerWaalsContact O-N 3.13Å; P218-N222 PolarHBondContact O-ND2 2.92Å; Y219-N222 PolarHBondContact O-N 3.32Å; F220-N222 VanDerWaalsContact C-N 3.28Å; F220-N222 PolarHBondContact O-N 3.03Å; N222-W225 PolarHBondContact O-N 3.3Å; N222-F226 PolarHBondContact O-N 3.34Å; N222-L372 HydrophobicContact CB-CB 4.38Å |
| 223 | L | 95.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -49.2 | 174.8 | 178 | 64.5 | 0 | 0 | 0 | 111.7 | F179 Y219 F220 W225 F226 I227 Y263 L264 | F179-L223 HydrophobicContact CD2-CB 4.43Å; F179-L223 HydrophobicContact CD2-CD1 4.29Å; Y219-L223 HydrophobicContact CE1-CD2 4.2Å; Y219-L223 WeakPolarHBondContact O-CB 3.38Å; Y219-L223 PolarHBondContact O-N 2.72Å; F220-L223 HydrophobicContact CD1-CD2 4.35Å; F220-L223 PolarHBondContact O-N 2.95Å; L223-W225 VanDerWaalsContact C-N 3.34Å; L223-W225 PolarHBondContact O-N 2.9Å; L223-F226 WeakPolarHBondContact O-CB 3.35Å; L223-F226 PolarHBondContact O-N 2.76Å; L223-I227 HydrophobicContact CD1-CD1 4.09Å; L223-I227 HydrophobicContact CD1-CG1 4.5Å; L223-I227 HydrophobicContact CG-CD1 4Å; L223-I227 WeakPolarHBondContact O-CG1 3.36Å; L223-I227 PolarHBondContact O-N 3.33Å; L223-Y263 HydrophobicContact CD1-CE1 4.45Å; L223-Y263 HydrophobicContact CD2-CD1 4.38Å; L223-Y263 HydrophobicContact CD2-CE1 3.85Å; L223-L264 HydrophobicContact CD2-CD2 4.13Å |
| 224 | V | 95.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.5 | -36.1 | -179.5 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | F220 G228 H282 L283 R286 L287 | F220-V224 VanDerWaalsContact O-CB 3.23Å; F220-V224 WeakPolarHBondContact O-CB 3.45Å; F220-V224 WeakPolarHBondContact O-CG2 3.37Å; F220-V224 PolarHBondContact O-N 3.38Å; V224-G228 PolarHBondContact O-N 2.96Å; V224-H282 HydrophobicContact CG2-CB 4.2Å; V224-L283 HydrophobicContact CG2-CD2 3.91Å; V224-R286 HydrophobicContact CG1-CB 4.28Å; V224-L287 HydrophobicContact CG1-CB 3.48Å; V224-L287 VanDerWaalsContact CG1-CB 3.48Å; V224-L287 HydrophobicContact CG1-CD2 4.09Å; V224-L287 HydrophobicContact CG1-CG 4.33Å |
| 225 | W | 94.9 | Very high | 94.2 | Very high | 66 Ų | 66 | 19.6 Ų | 19.6 | 25% | 0.25 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.3 | -42.3 | 170.9 | 175 | -93 | 0 | 0 | 0 | 112.4 | S221 N222 L223 G228 S229 F365 K367 P368 | S221-W225 WeakPolarHBondContact O-CB 3.17Å; N222-W225 PolarHBondContact O-N 3.3Å; L223-W225 VanDerWaalsContact C-N 3.34Å; L223-W225 PolarHBondContact O-N 2.9Å; W225-G228 PolarHBondContact O-N 3.08Å; W225-S229 PolarHBondContact NE1-OG 3.39Å; W225-S229 VanDerWaalsContact NE1-OG 3.16Å; W225-S229 WeakPolarHBondContact O-CB 3.44Å; W225-S229 PolarHBondContact O-N 2.95Å; W225-S229 PolarHBondContact O-OG 3.09Å; W225-F365 HydrophobicContact CD2-CE1 4.46Å; W225-F365 HydrophobicContact CD2-CE2 4.32Å; W225-F365 AromaticContact CD2-CZ 3.93Å; W225-F365 HydrophobicContact CD2-CZ 3.93Å; W225-F365 HydrophobicContact CE3-CD1 4.12Å; W225-F365 HydrophobicContact CE3-CD2 4.12Å; W225-F365 AromaticContact CE3-CE1 3.67Å; W225-F365 HydrophobicContact CE3-CE1 3.67Å; W225-F365 AromaticContact CE3-CE2 3.63Å; W225-F365 HydrophobicContact CE3-CE2 3.63Å; W225-F365 HydrophobicContact CE3-CG 4.33Å; W225-F365 AromaticContact CE3-CZ 3.38Å; W225-F365 HydrophobicContact CE3-CZ 3.38Å; W225-F365 HydrophobicContact CH2-CD1 4.15Å; W225-F365 AromaticContact CH2-CE1 3.57Å; W225-F365 HydrophobicContact CH2-CE1 3.57Å; W225-F365 HydrophobicContact CH2-CZ 4.02Å; W225-F365 HydrophobicContact CZ2-CE1 4.35Å; W225-F365 HydrophobicContact CZ2-CZ 4.47Å; W225-F365 AromaticContact CZ3-CD1 3.48Å; W225-F365 HydrophobicContact CZ3-CD1 3.48Å; W225-F365 VanDerWaalsContact CZ3-CD1 3.48Å; W225-F365 HydrophobicContact CZ3-CD2 4.28Å; W225-F365 AromaticContact CZ3-CE1 3.16Å; W225-F365 HydrophobicContact CZ3-CE1 3.16Å; W225-F365 HydrophobicContact CZ3-CE2 4Å; W225-F365 HydrophobicContact CZ3-CG 4.04Å; W225-F365 AromaticContact CZ3-CZ 3.44Å; W225-F365 HydrophobicContact CZ3-CZ 3.44Å; W225-F365 VanDerWaalsContact CZ3-CZ 3.44Å; W225-K367 HydrophobicContact CD2-CB 4.09Å; W225-K367 HydrophobicContact CD2-CG 4.24Å; W225-K367 VanDerWaalsContact CE3-CA 3.46Å; W225-K367 HydrophobicContact CE3-CB 4.21Å; W225-K367 VanDerWaalsContact CE3-N 3.34Å; W225-K367 HydrophobicContact CH2-CB 3.83Å; W225-K367 HydrophobicContact CZ2-CB 3.7Å; W225-K367 HydrophobicContact CZ2-CD 4.21Å; W225-K367 HydrophobicContact CZ2-CG 3.99Å; W225-K367 HydrophobicContact CZ3-CB 4.08Å; W225-P368 HydrophobicContact CB-CG 4.07Å; W225-P368 HydrophobicContact CG-CG 4.41Å |
| 226 | F | 95 | Very high | 94.3 | Very high | 31 Ų | 31 | 23.9 Ų | 23.9 | 14% | 0.136 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62 | -47.7 | 176.6 | 172.7 | -135.7 | 0 | 0 | 0 | 111.5 | F179 N180 N222 L223 G228 S229 H230 H260 | F179-F226 HydrophobicContact CE2-CB 4.35Å; N180-F226 HydrophobicContact CB-CD1 4.19Å; N180-F226 HydrophobicContact CB-CE1 4.4Å; N180-F226 HydrophobicContact CB-CG 4.38Å; N180-F226 VanDerWaalsContact OD1-CE2 3.26Å; N180-F226 WeakPolarHBondContact OD1-CE2 3.11Å; N180-F226 VanDerWaalsContact OD1-CZ 3.27Å; N180-F226 WeakPolarHBondContact OD1-CZ 3.39Å; N222-F226 PolarHBondContact O-N 3.34Å; L223-F226 WeakPolarHBondContact O-CB 3.35Å; L223-F226 PolarHBondContact O-N 2.76Å; F226-G228 VanDerWaalsContact C-N 3.35Å; F226-G228 PolarHBondContact O-N 2.83Å; F226-S229 WeakPolarHBondContact O-CB 3.26Å; F226-S229 PolarHBondContact O-N 2.72Å; F226-S229 VanDerWaalsContact O-N 3.13Å; F226-H230 WeakPolarHBondContact O-CB 3.44Å; F226-H230 PolarHBondContact O-N 3.46Å; F226-H260 AromaticContact CD1-CE1 3.32Å; F226-H260 WeakPolarHBondContact CD1-CE1 3.39Å; F226-H260 AromaticContact CE1-CE1 2.89Å; F226-H260 WeakPolarHBondContact CE1-CE1 3.15Å; F226-H260 AromaticContact CE1-NE2 3.27Å; F226-H260 VanDerWaalsContact CE1-NE2 3.27Å; F226-H260 WeakPolarHBondContact CE1-NE2 3.35Å; F226-H260 AromaticContact CZ-CE1 4Å; F226-H260 AromaticContact CZ-NE2 3.49Å; F226-H260 WeakPolarHBondContact CZ-NE2 3.38Å |
| 227 | I | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.2 | -43.7 | 177.9 | -66.6 | 167.9 | 0 | 0 | 0 | 111.5 | L223 H230 V231 H260 L264 L287 | L223-I227 HydrophobicContact CD1-CD1 4.09Å; L223-I227 HydrophobicContact CD1-CG1 4.5Å; L223-I227 HydrophobicContact CG-CD1 4Å; L223-I227 WeakPolarHBondContact O-CG1 3.36Å; L223-I227 PolarHBondContact O-N 3.33Å; I227-H230 PolarHBondContact O-N 2.96Å; I227-V231 WeakPolarHBondContact O-CG2 3.34Å; I227-V231 PolarHBondContact O-N 3.16Å; I227-H260 HydrophobicContact CD1-CB 3.91Å; I227-H260 HydrophobicContact CG1-CB 3.94Å; I227-L264 HydrophobicContact CD1-CD1 3.84Å; I227-L264 HydrophobicContact CD1-CG 4.36Å; I227-L287 HydrophobicContact CB-CD2 4.41Å; I227-L287 HydrophobicContact CG2-CD2 3.89Å |
| 228 | G | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.9 | -33.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V224 W225 F226 V231 I232 | V224-G228 PolarHBondContact O-N 2.96Å; W225-G228 PolarHBondContact O-N 3.08Å; F226-G228 VanDerWaalsContact C-N 3.35Å; F226-G228 PolarHBondContact O-N 2.83Å; G228-V231 PolarHBondContact O-N 3.19Å; G228-I232 WeakPolarHBondContact O-CG1 3.41Å; G228-I232 PolarHBondContact O-N 3.42Å; G228-I232 VanDerWaalsContact O-N 3.09Å |
| 229 | S | 93.8 | Very high | 94.2 | Very high | 41 Ų | 41 | 26.2 Ų | 26.2 | 29% | 0.287 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65.2 | -42.3 | 174.4 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | W225 F226 I232 E233 | W225-S229 PolarHBondContact NE1-OG 3.39Å; W225-S229 VanDerWaalsContact NE1-OG 3.16Å; W225-S229 WeakPolarHBondContact O-CB 3.44Å; W225-S229 PolarHBondContact O-N 2.95Å; W225-S229 PolarHBondContact O-OG 3.09Å; F226-S229 WeakPolarHBondContact O-CB 3.26Å; F226-S229 PolarHBondContact O-N 2.72Å; F226-S229 VanDerWaalsContact O-N 3.13Å; S229-I232 PolarHBondContact O-N 2.86Å; S229-E233 PolarHBondContact O-N 2.97Å |
| 230 | H | 94.6 | Very high | 93.7 | Very high | 10 Ų | 10 | 31 Ų | 31 | 5% | 0.046 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.1 | -35.4 | 176 | 178.1 | -130.5 | 0 | 0 | 0 | 112.4 | F226 I227 I232 E233 L234 L253 | F226-H230 WeakPolarHBondContact O-CB 3.44Å; F226-H230 PolarHBondContact O-N 3.46Å; I227-H230 PolarHBondContact O-N 2.96Å; H230-I232 VanDerWaalsContact C-N 3.33Å; H230-I232 PolarHBondContact O-N 2.96Å; H230-E233 PolarHBondContact O-N 3.35Å; H230-L234 PolarHBondContact O-N 3.11Å; H230-L253 PolarHBondContact CE1-O 3.38Å; H230-L253 WeakPolarHBondContact NE2-CD2 3.31Å |
| 231 | V | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.6 | -35.7 | 171.4 | 154.9 | 0 | 0 | 0 | 0 | 112.7 | I227 G228 L234 D235 H257 L291 Y292 I308 L316 | I227-V231 WeakPolarHBondContact O-CG2 3.34Å; I227-V231 PolarHBondContact O-N 3.16Å; G228-V231 PolarHBondContact O-N 3.19Å; V231-L234 WeakPolarHBondContact O-CB 3.48Å; V231-L234 PolarHBondContact O-N 3.47Å; V231-D235 PolarHBondContact O-N 3.37Å; V231-H257 WeakPolarHBondContact CG2-ND1 3.31Å; V231-L291 HydrophobicContact CG1-CD2 4.13Å; V231-Y292 HydrophobicContact CG1-CE1 3.97Å; V231-Y292 HydrophobicContact CG2-CE1 4.27Å; V231-I308 HydrophobicContact CG1-CD1 4.1Å; V231-I308 HydrophobicContact CG1-CG2 4.02Å; V231-L316 HydrophobicContact CB-CD1 4.29Å; V231-L316 HydrophobicContact CG1-CD1 3.44Å; V231-L316 VanDerWaalsContact CG1-CD1 3.44Å; V231-L316 HydrophobicContact CG2-CD1 3.85Å; V231-L316 HydrophobicContact CG2-CD2 4.06Å |
| 232 | I | 94.7 | Very high | 91.7 | Very high | 46 Ų | 46 | 38.1 Ų | 38.1 | 24% | 0.236 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.2 | -41.1 | 175 | -66.9 | 162.9 | 0 | 0 | 0 | 110.3 | G228 S229 H230 L234 D235 D236 L291 P306 I308 F365 | G228-I232 WeakPolarHBondContact O-CG1 3.41Å; G228-I232 PolarHBondContact O-N 3.42Å; G228-I232 VanDerWaalsContact O-N 3.09Å; S229-I232 PolarHBondContact O-N 2.86Å; H230-I232 VanDerWaalsContact C-N 3.33Å; H230-I232 PolarHBondContact O-N 2.96Å; I232-L234 VanDerWaalsContact C-N 3.3Å; I232-L234 PolarHBondContact O-N 3.13Å; I232-D235 PolarHBondContact O-N 3.28Å; I232-D236 PolarHBondContact O-N 3.49Å; I232-L291 HydrophobicContact CD1-CD1 4.46Å; I232-L291 HydrophobicContact CG1-CD1 4.45Å; I232-L291 HydrophobicContact CG1-CD2 4.45Å; I232-P306 HydrophobicContact CD1-CB 4.09Å; I232-I308 HydrophobicContact CG1-CG2 4.31Å; I232-F365 HydrophobicContact CD1-CE1 3.82Å; I232-F365 HydrophobicContact CD1-CZ 4.49Å |
| 233 | E | 93.8 | Very high | 90.4 | Very high | 87 Ų | 87 | 43.5 Ų | 43.5 | 41% | 0.407 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.4 | -32.7 | 173.6 | 179.7 | 170.6 | -169.8 | 0 | 0 | 113.2 | S229 H230 C237 K249 L253 | S229-E233 PolarHBondContact O-N 2.97Å; H230-E233 PolarHBondContact O-N 3.35Å; E233-C237 VanDerWaalsContact O-CB 3.29Å; E233-C237 WeakPolarHBondContact O-CB 3.42Å; E233-C237 PolarHBondContact O-N 2.82Å; E233-K249 VanDerWaalsContact OE1-CE 3.3Å; E233-K249 WeakPolarHBondContact OE1-CE 3.28Å; E233-K249 IonicContact OE1-NZ 2.82Å; E233-K249 PolarHBondContact OE1-NZ 2.89Å; E233-L253 HydrophobicContact CG-CD1 4.35Å; E233-L253 HydrophobicContact CG-CD2 4.21Å |
| 234 | L | 94.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.3 | -44.5 | 171.9 | -173.3 | 161 | 0 | 0 | 0 | 110.9 | H230 V231 I232 C237 V238 L250 L253 V254 H257 V312 L638 | H230-L234 PolarHBondContact O-N 3.11Å; V231-L234 WeakPolarHBondContact O-CB 3.48Å; V231-L234 PolarHBondContact O-N 3.47Å; I232-L234 VanDerWaalsContact C-N 3.3Å; I232-L234 PolarHBondContact O-N 3.13Å; L234-C237 WeakPolarHBondContact O-CB 3.29Å; L234-C237 PolarHBondContact O-N 2.9Å; L234-V238 HydrophobicContact CD2-CG2 4.31Å; L234-V238 WeakPolarHBondContact O-CG2 3.4Å; L234-V238 PolarHBondContact O-N 2.95Å; L234-L250 HydrophobicContact CD2-CD1 4.39Å; L234-L250 HydrophobicContact CG-CD1 4.18Å; L234-L253 HydrophobicContact CB-CB 4.37Å; L234-L253 HydrophobicContact CD1-CB 4.34Å; L234-L253 HydrophobicContact CG-CB 4.34Å; L234-V254 HydrophobicContact CD1-CG2 3.96Å; L234-H257 HydrophobicContact CD1-CB 4.41Å; L234-V312 HydrophobicContact CD2-CG1 3.78Å; L234-V312 HydrophobicContact CD2-CG2 4.2Å; L234-L638 HydrophobicContact CD2-CD1 4.13Å |
| 235 | D | 94.4 | Very high | 88.7 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 177.6 | -165.2 | 62.4 | 0 | 0 | 0 | 112.4 | V231 I232 C237 V238 Q239 I308 S309 V312 | V231-D235 PolarHBondContact O-N 3.37Å; I232-D235 PolarHBondContact O-N 3.28Å; D235-C237 PolarHBondContact O-N 3.38Å; D235-V238 PolarHBondContact O-N 2.98Å; D235-Q239 WeakPolarHBondContact O-CG 3.48Å; D235-Q239 PolarHBondContact O-N 2.97Å; D235-Q239 PolarHBondContact OD2-NE2 3.4Å; D235-I308 HydrophobicContact CB-CB 4.08Å; D235-I308 HydrophobicContact CB-CG2 3.81Å; D235-I308 VanDerWaalsContact OD2-CA 3.29Å; D235-I308 WeakPolarHBondContact OD2-CA 3.49Å; D235-S309 WeakPolarHBondContact OD1-CB 3.17Å; D235-S309 PolarHBondContact OD1-N 2.67Å; D235-S309 PolarHBondContact OD1-OG 3.48Å; D235-S309 PolarHBondContact OD2-N 3Å; D235-V312 HydrophobicContact CB-CG1 4.28Å; D235-V312 VanDerWaalsContact OD1-CB 3.27Å; D235-V312 WeakPolarHBondContact OD1-CB 3.5Å; D235-V312 WeakPolarHBondContact OD1-CG2 3.49Å |
| 236 | D | 92.7 | Very high | 88 | Confident | 90 Ų | 90 | 53.2 Ų | 53.2 | 48% | 0.481 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -54.9 | -39.4 | 171.2 | -74.3 | -29 | 0 | 0 | 0 | 111.2 | I232 T240 | I232-D236 PolarHBondContact O-N 3.49Å; D236-T240 WeakPolarHBondContact O-CB 3.24Å; D236-T240 WeakPolarHBondContact O-CG2 3.49Å; D236-T240 PolarHBondContact O-N 3.04Å; D236-T240 PolarHBondContact O-OG1 3.28Å |
| 237 | C | 92.1 | Very high | 87.5 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.034 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.5 | -30.6 | 177.8 | -166.2 | 0 | 0 | 0 | 0 | 113.2 | E233 L234 D235 D241 L250 L253 | E233-C237 VanDerWaalsContact O-CB 3.29Å; E233-C237 WeakPolarHBondContact O-CB 3.42Å; E233-C237 PolarHBondContact O-N 2.82Å; L234-C237 WeakPolarHBondContact O-CB 3.29Å; L234-C237 PolarHBondContact O-N 2.9Å; D235-C237 PolarHBondContact O-N 3.38Å; C237-D241 VanDerWaalsContact O-CB 3.31Å; C237-D241 WeakPolarHBondContact O-CB 3.44Å; C237-L250 HydrophobicContact CB-CD1 4.25Å; C237-L253 HydrophobicContact CB-CD1 3.85Å |
| 238 | V | 91.2 | Very high | 87.2 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.7 | -47.2 | 173.6 | 168.7 | 0 | 0 | 0 | 0 | 110.7 | L234 D235 T240 D241 L250 V312 L638 | L234-V238 HydrophobicContact CD2-CG2 4.31Å; L234-V238 WeakPolarHBondContact O-CG2 3.4Å; L234-V238 PolarHBondContact O-N 2.95Å; D235-V238 PolarHBondContact O-N 2.98Å; V238-T240 PolarHBondContact O-N 3.42Å; V238-D241 PolarHBondContact O-N 2.91Å; V238-L250 HydrophobicContact CG2-CD1 3.66Å; V238-L250 HydrophobicContact CG2-CD2 4.05Å; V238-V312 HydrophobicContact CB-CG2 4.09Å; V238-V312 HydrophobicContact CG1-CG2 4.12Å; V238-V312 HydrophobicContact CG2-CG2 3.92Å; V238-L638 VanDerWaalsContact CG1-O 3.28Å; V238-L638 WeakPolarHBondContact CG1-O 3.22Å; V238-L638 HydrophobicContact CG2-CB 4.05Å; V238-L638 HydrophobicContact CG2-CD1 4.39Å |
| 239 | Q | 88.6 | Confident | 87 | Confident | 120 Ų | 120 | 62.2 Ų | 62.2 | 56% | 0.561 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.6 | -21.7 | -178.9 | -67.8 | -167.8 | 43.4 | 0 | 0 | 113.5 | D235 | D235-Q239 WeakPolarHBondContact O-CG 3.48Å; D235-Q239 PolarHBondContact O-N 2.97Å; D235-Q239 PolarHBondContact OD2-NE2 3.4Å |
| 240 | T | 84.9 | Confident | 87 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 63% | 0.632 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -3.8 | -177.3 | 55.9 | 0 | 0 | 0 | 0 | 115.5 | D236 V238 | D236-T240 WeakPolarHBondContact O-CB 3.24Å; D236-T240 WeakPolarHBondContact O-CG2 3.49Å; D236-T240 PolarHBondContact O-N 3.04Å; D236-T240 PolarHBondContact O-OG1 3.28Å; V238-T240 PolarHBondContact O-N 3.42Å |
| 241 | D | 78.4 | Confident | 86.9 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | trans | -114.9 | 44.3 | -171.3 | -162.8 | 37.2 | 0 | 0 | 0 | 115.2 | C237 V238 E243 H244 R245 N246 R247 L639 | C237-D241 VanDerWaalsContact O-CB 3.31Å; C237-D241 WeakPolarHBondContact O-CB 3.44Å; V238-D241 PolarHBondContact O-N 2.91Å; D241-E243 PolarHBondContact O-N 3.33Å; D241-E243 VanDerWaalsContact O-N 3.16Å; D241-H244 PolarHBondContact O-N 3.14Å; D241-H244 PolarHBondContact OD1-N 2.94Å; D241-H244 WeakPolarHBondContact OD2-CA 3.27Å; D241-R245 WeakPolarHBondContact OD1-CA 3.46Å; D241-R245 PolarHBondContact OD1-N 3.09Å; D241-R245 PolarHBondContact OD2-N 3.41Å; D241-N246 HydrophobicContact CB-CB 4.15Å; D241-N246 PolarHBondContact OD1-N 3.5Å; D241-N246 WeakPolarHBondContact OD2-CA 3.45Å; D241-N246 WeakPolarHBondContact OD2-CB 3.24Å; D241-N246 PolarHBondContact OD2-N 2.91Å; D241-R247 PolarHBondContact OD2-N 3.46Å; D241-L639 HydrophobicContact CB-CD2 4.19Å | ||
| 242 | E | 67.8 | Low | 86.8 | Confident | 160 Ų | 160 | 68 Ų | 68 | 75% | 0.748 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -40.6 | 175.2 | -63.1 | -171.1 | 151.4 | 0 | 0 | 112.6 | H244 | E242-H244 VanDerWaalsContact C-N 3.27Å; E242-H244 PolarHBondContact O-N 2.58Å; E242-H244 PolarHBondContact O-ND1 2.72Å |
| 243 | E | 68.3 | Low | 86.9 | Confident | 134 Ų | 134 | 66.5 Ų | 66.5 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 2.6 | 179.9 | -79.6 | -164.9 | -127.8 | 0 | 0 | 115.1 | D241 R245 | D241-E243 PolarHBondContact O-N 3.33Å; D241-E243 VanDerWaalsContact O-N 3.16Å; E243-R245 HydrophobicContact CB-CG 3.83Å; E243-R245 PolarHBondContact O-N 3.18Å; E243-R245 IonicContact OE1-CZ 2.97Å; E243-R245 IonicContact OE1-NE 3.24Å; E243-R245 IonicContact OE1-NH2 3.15Å; E243-R245 PolarHBondContact OE1-NH2 3.39Å; E243-R245 IonicContact OE2-CZ 2.67Å; E243-R245 IonicContact OE2-NE 2.69Å; E243-R245 PolarHBondContact OE2-NE 3.3Å; E243-R245 IonicContact OE2-NH2 3.77Å; E243-R245 PolarHBondContact OE2-NH2 2.96Å |
| 244 | H | 79.3 | Confident | 87 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 11% | 0.106 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 59.4 | 29.1 | 179 | -57.5 | 37.3 | 0 | 0 | 0 | 114.3 | D241 E242 R247 L639 P640 T647 | D241-H244 PolarHBondContact O-N 3.14Å; D241-H244 PolarHBondContact OD1-N 2.94Å; D241-H244 WeakPolarHBondContact OD2-CA 3.27Å; E242-H244 VanDerWaalsContact C-N 3.27Å; E242-H244 PolarHBondContact O-N 2.58Å; E242-H244 PolarHBondContact O-ND1 2.72Å; H244-R247 HydrophobicContact CB-CG 4.09Å; H244-R247 WeakPolarHBondContact O-CG 3.3Å; H244-L639 HydrophobicContact CB-CD1 3.93Å; H244-P640 PolarHBondContact CE1-O 3.45Å; H244-T647 HydrophobicContact CB-CG2 4.31Å |
| 245 | R | 77 | Confident | 87 | Confident | 179 Ų | 179 | 65 Ų | 65 | 68% | 0.675 | 34% | 0.338 | S | S | * | . | trans | -79 | -31.2 | -178.7 | -63.1 | 177.8 | 177.7 | -173.9 | 4 | 112.5 | D241 E243 | D241-R245 WeakPolarHBondContact OD1-CA 3.46Å; D241-R245 PolarHBondContact OD1-N 3.09Å; D241-R245 PolarHBondContact OD2-N 3.41Å; E243-R245 HydrophobicContact CB-CG 3.83Å; E243-R245 PolarHBondContact O-N 3.18Å; E243-R245 IonicContact OE1-CZ 2.97Å; E243-R245 IonicContact OE1-NE 3.24Å; E243-R245 IonicContact OE1-NH2 3.15Å; E243-R245 PolarHBondContact OE1-NH2 3.39Å; E243-R245 IonicContact OE2-CZ 2.67Å; E243-R245 IonicContact OE2-NE 2.69Å; E243-R245 PolarHBondContact OE2-NE 3.3Å; E243-R245 IonicContact OE2-NH2 3.77Å; E243-R245 PolarHBondContact OE2-NH2 2.96Å | ||
| 246 | N | 80 | Confident | 87.1 | Confident | 72 Ų | 72 | 66.7 Ų | 66.7 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | trans | -96.5 | 9.3 | -175.6 | -60.7 | -37.7 | 0 | 0 | 0 | 113.6 | D241 G248 K249 L250 | D241-N246 HydrophobicContact CB-CB 4.15Å; D241-N246 PolarHBondContact OD1-N 3.5Å; D241-N246 WeakPolarHBondContact OD2-CA 3.45Å; D241-N246 WeakPolarHBondContact OD2-CB 3.24Å; D241-N246 PolarHBondContact OD2-N 2.91Å; N246-G248 PolarHBondContact O-N 2.86Å; N246-K249 PolarHBondContact O-N 3.18Å; N246-L250 PolarHBondContact O-N 3.01Å | ||
| 247 | R | 84.5 | Confident | 87.2 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -42.8 | -36.6 | -179.8 | -82.5 | -167.6 | 69.7 | -149 | -5 | 115.5 | D241 H244 S251 L639 T647 | D241-R247 PolarHBondContact OD2-N 3.46Å; H244-R247 HydrophobicContact CB-CG 4.09Å; H244-R247 WeakPolarHBondContact O-CG 3.3Å; R247-S251 WeakPolarHBondContact O-CB 3.47Å; R247-S251 PolarHBondContact O-N 3.24Å; R247-L639 HydrophobicContact CG-CD1 3.64Å; R247-T647 PolarHBondContact NH1-O 3.48Å |
| 248 | G | 88.6 | Confident | 87.4 | Confident | 49 Ų | 49 | 62.9 Ų | 62.9 | 51% | 0.505 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.9 | -58.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N246 L250 S251 D252 | N246-G248 PolarHBondContact O-N 2.86Å; G248-L250 VanDerWaalsContact C-N 3.29Å; G248-L250 PolarHBondContact O-N 2.82Å; G248-S251 WeakPolarHBondContact O-CA 3.27Å; G248-S251 VanDerWaalsContact O-CB 3.3Å; G248-S251 WeakPolarHBondContact O-CB 3.48Å; G248-S251 PolarHBondContact O-N 3.01Å; G248-D252 PolarHBondContact O-N 3.3Å |
| 249 | K | 91.5 | Very high | 87.7 | Confident | 92 Ų | 92 | 65.4 Ų | 65.4 | 40% | 0.4 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56 | -43.8 | 176.8 | -165.3 | -157 | 178.8 | -158.5 | 0 | 111.5 | E233 N246 S251 D252 L253 | E233-K249 VanDerWaalsContact OE1-CE 3.3Å; E233-K249 WeakPolarHBondContact OE1-CE 3.28Å; E233-K249 IonicContact OE1-NZ 2.82Å; E233-K249 PolarHBondContact OE1-NZ 2.89Å; N246-K249 PolarHBondContact O-N 3.18Å; K249-S251 VanDerWaalsContact C-N 3.28Å; K249-S251 PolarHBondContact O-N 2.98Å; K249-D252 PolarHBondContact O-N 3.41Å; K249-D252 VanDerWaalsContact O-N 3.15Å; K249-L253 HydrophobicContact CD-CD1 4.13Å; K249-L253 HydrophobicContact CG-CD1 4.15Å; K249-L253 HydrophobicContact CG-CG 4.38Å; K249-L253 VanDerWaalsContact O-CG 3.27Å; K249-L253 WeakPolarHBondContact O-CG 3.46Å; K249-L253 PolarHBondContact O-N 3.15Å |
| 250 | L | 93.1 | Very high | 88 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 178.6 | -173.1 | 62.9 | 0 | 0 | 0 | 111.9 | L234 C237 V238 N246 G248 V254 A635 L638 L639 | L234-L250 HydrophobicContact CD2-CD1 4.39Å; L234-L250 HydrophobicContact CG-CD1 4.18Å; C237-L250 HydrophobicContact CB-CD1 4.25Å; V238-L250 HydrophobicContact CG2-CD1 3.66Å; V238-L250 HydrophobicContact CG2-CD2 4.05Å; N246-L250 PolarHBondContact O-N 3.01Å; G248-L250 VanDerWaalsContact C-N 3.29Å; G248-L250 PolarHBondContact O-N 2.82Å; L250-V254 WeakPolarHBondContact O-CB 3.47Å; L250-V254 WeakPolarHBondContact O-CG2 3.34Å; L250-V254 PolarHBondContact O-N 3.38Å; L250-A635 HydrophobicContact CG-CB 4.25Å; L250-L638 HydrophobicContact CD2-CB 4.38Å; L250-L639 HydrophobicContact CD2-CD1 4.42Å; L250-L639 HydrophobicContact CD2-CD2 3.76Å; L250-L639 HydrophobicContact CD2-CG 3.95Å |
| 251 | S | 93.9 | Very high | 88.6 | Confident | 60 Ų | 60 | 55 Ų | 55 | 42% | 0.42 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 172.9 | -164.4 | 0 | 0 | 0 | 0 | 112.5 | R247 G248 K249 A255 | R247-S251 WeakPolarHBondContact O-CB 3.47Å; R247-S251 PolarHBondContact O-N 3.24Å; G248-S251 WeakPolarHBondContact O-CA 3.27Å; G248-S251 VanDerWaalsContact O-CB 3.3Å; G248-S251 WeakPolarHBondContact O-CB 3.48Å; G248-S251 PolarHBondContact O-N 3.01Å; K249-S251 VanDerWaalsContact C-N 3.28Å; K249-S251 PolarHBondContact O-N 2.98Å; S251-A255 VanDerWaalsContact O-CB 3.29Å; S251-A255 WeakPolarHBondContact O-CB 3.27Å; S251-A255 PolarHBondContact O-N 2.93Å |
| 252 | D | 94.3 | Very high | 89.5 | Confident | 113 Ų | 113 | 58.9 Ų | 58.9 | 60% | 0.604 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.9 | -44 | 177.5 | -59.9 | -37.8 | 0 | 0 | 0 | 111.5 | G248 K249 A255 E256 | G248-D252 PolarHBondContact O-N 3.3Å; K249-D252 PolarHBondContact O-N 3.41Å; K249-D252 VanDerWaalsContact O-N 3.15Å; D252-A255 PolarHBondContact O-N 3.06Å; D252-E256 PolarHBondContact O-N 3.4Å |
| 253 | L | 95.2 | Very high | 91 | Very high | 14 Ų | 14 | 51.5 Ų | 51.5 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 176.3 | -64.4 | 169 | 0 | 0 | 0 | 111.6 | H230 E233 L234 C237 K249 H257 | H230-L253 PolarHBondContact CE1-O 3.38Å; H230-L253 WeakPolarHBondContact NE2-CD2 3.31Å; E233-L253 HydrophobicContact CG-CD1 4.35Å; E233-L253 HydrophobicContact CG-CD2 4.21Å; L234-L253 HydrophobicContact CB-CB 4.37Å; L234-L253 HydrophobicContact CD1-CB 4.34Å; L234-L253 HydrophobicContact CG-CB 4.34Å; C237-L253 HydrophobicContact CB-CD1 3.85Å; K249-L253 HydrophobicContact CD-CD1 4.13Å; K249-L253 HydrophobicContact CG-CD1 4.15Å; K249-L253 HydrophobicContact CG-CG 4.38Å; K249-L253 VanDerWaalsContact O-CG 3.27Å; K249-L253 WeakPolarHBondContact O-CG 3.46Å; K249-L253 PolarHBondContact O-N 3.15Å; L253-H257 WeakPolarHBondContact O-CB 3.14Å; L253-H257 PolarHBondContact O-N 3.05Å |
| 254 | V | 96.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 174.2 | 162.2 | 0 | 0 | 0 | 0 | 111.3 | L234 L250 H257 L258 Y315 A635 L638 | L234-V254 HydrophobicContact CD1-CG2 3.96Å; L250-V254 WeakPolarHBondContact O-CB 3.47Å; L250-V254 WeakPolarHBondContact O-CG2 3.34Å; L250-V254 PolarHBondContact O-N 3.38Å; V254-H257 PolarHBondContact O-N 3.42Å; V254-L258 HydrophobicContact CG1-CD1 4.13Å; V254-L258 WeakPolarHBondContact O-CG 3.2Å; V254-L258 PolarHBondContact O-N 3.07Å; V254-Y315 VanDerWaalsContact CG1-OH 3.23Å; V254-Y315 WeakPolarHBondContact CG1-OH 3.31Å; V254-Y315 HydrophobicContact CG2-CE1 4.45Å; V254-A635 HydrophobicContact CB-CB 3.91Å; V254-A635 HydrophobicContact CG1-CB 4.21Å; V254-A635 HydrophobicContact CG2-CB 3.73Å; V254-L638 HydrophobicContact CG2-CD1 3.95Å |
| 255 | A | 95.9 | Very high | 93.2 | Very high | 53 Ų | 53 | 44.9 Ų | 44.9 | 44% | 0.438 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -46.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S251 D252 H257 L258 D259 | S251-A255 VanDerWaalsContact O-CB 3.29Å; S251-A255 WeakPolarHBondContact O-CB 3.27Å; S251-A255 PolarHBondContact O-N 2.93Å; D252-A255 PolarHBondContact O-N 3.06Å; A255-H257 VanDerWaalsContact C-N 3.33Å; A255-H257 PolarHBondContact O-N 3.31Å; A255-L258 PolarHBondContact O-N 2.81Å; A255-D259 WeakPolarHBondContact O-CB 3.49Å; A255-D259 PolarHBondContact O-N 3.44Å |
| 256 | E | 94.8 | Very high | 94.2 | Very high | 38 Ų | 38 | 39.8 Ų | 39.8 | 18% | 0.178 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.6 | -35.7 | 175.4 | 172.1 | 156.5 | -163.3 | 0 | 0 | 112.4 | R187 D252 D259 H260 | R187-E256 IonicContact CZ-OE1 2.68Å; R187-E256 VanDerWaalsContact CZ-OE1 3.24Å; R187-E256 IonicContact CZ-OE2 3.81Å; R187-E256 IonicContact NE-OE1 3.75Å; R187-E256 PolarHBondContact NE-OE1 3.48Å; R187-E256 IonicContact NE-OE2 2.83Å; R187-E256 IonicContact NH2-OE1 3.51Å; R187-E256 PolarHBondContact NH2-OE1 3.05Å; R187-E256 IonicContact NH2-OE2 3.74Å; R187-E256 PolarHBondContact NH2-OE2 3.12Å; D252-E256 PolarHBondContact O-N 3.4Å; E256-D259 VanDerWaalsContact O-CB 3.26Å; E256-D259 WeakPolarHBondContact O-CB 3.49Å; E256-D259 PolarHBondContact O-N 2.68Å; E256-H260 WeakPolarHBondContact CG-NE2 3.28Å; E256-H260 PolarHBondContact O-CD2 3.46Å; E256-H260 PolarHBondContact O-N 2.9Å; E256-H260 IonicContact OE1-CD2 3.47Å; E256-H260 IonicContact OE1-CE1 3.27Å; E256-H260 IonicContact OE1-NE2 3.07Å; E256-H260 PolarHBondContact OE1-NE2 3.18Å |
| 257 | H | 96.1 | Very high | 95 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.6 | -177.4 | 76.3 | 0 | 0 | 0 | 112.2 | V231 L234 L253 V254 A255 D259 H260 L261 L316 | V231-H257 WeakPolarHBondContact CG2-ND1 3.31Å; L234-H257 HydrophobicContact CD1-CB 4.41Å; L253-H257 WeakPolarHBondContact O-CB 3.14Å; L253-H257 PolarHBondContact O-N 3.05Å; V254-H257 PolarHBondContact O-N 3.42Å; A255-H257 VanDerWaalsContact C-N 3.33Å; A255-H257 PolarHBondContact O-N 3.31Å; H257-D259 VanDerWaalsContact C-N 3.33Å; H257-D259 PolarHBondContact O-N 3.19Å; H257-H260 WeakPolarHBondContact O-CB 3.33Å; H257-H260 PolarHBondContact O-N 2.71Å; H257-L261 VanDerWaalsContact NE2-CD1 3.34Å; H257-L261 WeakPolarHBondContact NE2-CD1 3.39Å; H257-L261 PolarHBondContact O-N 3.4Å; H257-L316 VanDerWaalsContact NE2-CD2 3.29Å; H257-L316 WeakPolarHBondContact NE2-CD2 3.4Å |
| 258 | L | 96.8 | Very high | 95.6 | Very high | 15 Ų | 15 | 32.9 Ų | 32.9 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 173.3 | -69.3 | 168.6 | 0 | 0 | 0 | 111.2 | V254 A255 H260 L261 H262 Q319 I323 M633 | V254-L258 HydrophobicContact CG1-CD1 4.13Å; V254-L258 WeakPolarHBondContact O-CG 3.2Å; V254-L258 PolarHBondContact O-N 3.07Å; A255-L258 PolarHBondContact O-N 2.81Å; L258-H260 PolarHBondContact O-N 2.93Å; L258-L261 PolarHBondContact O-N 2.93Å; L258-L261 VanDerWaalsContact O-N 3.08Å; L258-H262 PolarHBondContact O-CD2 3.19Å; L258-H262 PolarHBondContact O-N 2.97Å; L258-Q319 HydrophobicContact CD2-CG 4.44Å; L258-I323 HydrophobicContact CD2-CD1 3.7Å; L258-M633 HydrophobicContact CD1-CB 4.48Å; L258-M633 HydrophobicContact CD1-CG 4.14Å |
| 259 | D | 96.3 | Very high | 96 | Very high | 62 Ų | 62 | 36 Ų | 36 | 33% | 0.332 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -55.8 | -35.9 | 175.3 | -129 | 42.3 | 0 | 0 | 0 | 112.7 | R191 A255 E256 H257 Y263 | R191-D259 IonicContact CZ-OD2 2.66Å; R191-D259 IonicContact NH1-OD2 2.64Å; R191-D259 PolarHBondContact NH1-OD2 3.45Å; R191-D259 IonicContact NH2-OD2 2.77Å; A255-D259 WeakPolarHBondContact O-CB 3.49Å; A255-D259 PolarHBondContact O-N 3.44Å; E256-D259 VanDerWaalsContact O-CB 3.26Å; E256-D259 WeakPolarHBondContact O-CB 3.49Å; E256-D259 PolarHBondContact O-N 2.68Å; H257-D259 VanDerWaalsContact C-N 3.33Å; H257-D259 PolarHBondContact O-N 3.19Å; D259-Y263 WeakPolarHBondContact O-CB 3.42Å; D259-Y263 PolarHBondContact O-N 3.21Å |
| 260 | H | 96.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.6 | -43.2 | 173.1 | -76.9 | -64.7 | 0 | 0 | 0 | 112.7 | R191 F226 I227 E256 H257 L258 Y263 L264 | R191-H260 PolarHBondContact NH2-ND1 3.46Å; R191-H260 VanDerWaalsContact NH2-ND1 3.18Å; F226-H260 AromaticContact CD1-CE1 3.32Å; F226-H260 WeakPolarHBondContact CD1-CE1 3.39Å; F226-H260 AromaticContact CE1-CE1 2.89Å; F226-H260 WeakPolarHBondContact CE1-CE1 3.15Å; F226-H260 AromaticContact CE1-NE2 3.27Å; F226-H260 VanDerWaalsContact CE1-NE2 3.27Å; F226-H260 WeakPolarHBondContact CE1-NE2 3.35Å; F226-H260 AromaticContact CZ-CE1 4Å; F226-H260 AromaticContact CZ-NE2 3.49Å; F226-H260 WeakPolarHBondContact CZ-NE2 3.38Å; I227-H260 HydrophobicContact CD1-CB 3.91Å; I227-H260 HydrophobicContact CG1-CB 3.94Å; E256-H260 WeakPolarHBondContact CG-NE2 3.28Å; E256-H260 PolarHBondContact O-CD2 3.46Å; E256-H260 PolarHBondContact O-N 2.9Å; E256-H260 IonicContact OE1-CD2 3.47Å; E256-H260 IonicContact OE1-CE1 3.27Å; E256-H260 IonicContact OE1-NE2 3.07Å; E256-H260 PolarHBondContact OE1-NE2 3.18Å; H257-H260 WeakPolarHBondContact O-CB 3.33Å; H257-H260 PolarHBondContact O-N 2.71Å; L258-H260 PolarHBondContact O-N 2.93Å; H260-Y263 PolarHBondContact O-N 3.31Å; H260-L264 VanDerWaalsContact O-CG 3.28Å; H260-L264 WeakPolarHBondContact O-CG 3.39Å; H260-L264 PolarHBondContact O-N 3.08Å |
| 261 | L | 97.2 | Very high | 96 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65 | -39.5 | 177.1 | -70 | -177.2 | 0 | 0 | 0 | 112.3 | H257 L258 L264 N265 Q319 V320 I323 I324 | H257-L261 VanDerWaalsContact NE2-CD1 3.34Å; H257-L261 WeakPolarHBondContact NE2-CD1 3.39Å; H257-L261 PolarHBondContact O-N 3.4Å; L258-L261 PolarHBondContact O-N 2.93Å; L258-L261 VanDerWaalsContact O-N 3.08Å; L261-L264 HydrophobicContact CD2-CD1 4.35Å; L261-L264 PolarHBondContact O-N 3.4Å; L261-N265 WeakPolarHBondContact O-CB 3.48Å; L261-N265 PolarHBondContact O-N 2.84Å; L261-Q319 HydrophobicContact CD1-CB 3.57Å; L261-V320 HydrophobicContact CD1-CG2 4.39Å; L261-V320 HydrophobicContact CD2-CG2 3.99Å; L261-I323 HydrophobicContact CB-CD1 3.87Å; L261-I323 HydrophobicContact CB-CG2 4.26Å; L261-I323 HydrophobicContact CD1-CD1 3.92Å; L261-I324 HydrophobicContact CD2-CD1 4.31Å |
| 262 | H | 97.5 | Very high | 95.9 | Very high | 86 Ų | 86 | 35.8 Ų | 35.8 | 40% | 0.398 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.2 | -46 | 174.2 | -73.5 | -60.8 | 0 | 0 | 0 | 111.7 | L258 L264 N265 D266 | L258-H262 PolarHBondContact O-CD2 3.19Å; L258-H262 PolarHBondContact O-N 2.97Å; H262-L264 VanDerWaalsContact C-N 3.33Å; H262-L264 PolarHBondContact O-N 3.47Å; H262-N265 WeakPolarHBondContact O-CB 3.17Å; H262-N265 PolarHBondContact O-N 2.74Å; H262-N265 VanDerWaalsContact O-N 3.12Å; H262-D266 PolarHBondContact O-N 3.18Å |
| 263 | Y | 97.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.5 | -39 | 175.2 | 173 | -123.1 | 0 | 0 | 0 | 113.4 | R191 T194 L195 Y219 L223 D259 H260 D266 I267 | R191-Y263 HydrophobicContact CB-CD2 3.62Å; R191-Y263 HydrophobicContact CB-CE2 3.62Å; R191-Y263 HydrophobicContact CB-CG 4.2Å; R191-Y263 HydrophobicContact CG-CD1 3.79Å; R191-Y263 HydrophobicContact CG-CD2 3.54Å; R191-Y263 HydrophobicContact CG-CE1 3.9Å; R191-Y263 HydrophobicContact CG-CE2 3.67Å; R191-Y263 HydrophobicContact CG-CG 3.6Å; T194-Y263 WeakPolarHBondContact CB-OH 3.12Å; T194-Y263 PolarHBondContact OG1-OH 3.02Å; L195-Y263 HydrophobicContact CD1-CD2 4.29Å; L195-Y263 HydrophobicContact CD1-CE2 4.41Å; L195-Y263 HydrophobicContact CD2-CE2 4.29Å; L195-Y263 HydrophobicContact CG-CD2 4.4Å; L195-Y263 HydrophobicContact CG-CE2 4.08Å; Y219-Y263 PolarHBondContact OH-OH 3.45Å; L223-Y263 HydrophobicContact CD1-CE1 4.45Å; L223-Y263 HydrophobicContact CD2-CD1 4.38Å; L223-Y263 HydrophobicContact CD2-CE1 3.85Å; D259-Y263 WeakPolarHBondContact O-CB 3.42Å; D259-Y263 PolarHBondContact O-N 3.21Å; H260-Y263 PolarHBondContact O-N 3.31Å; Y263-D266 PolarHBondContact O-N 2.71Å; Y263-I267 HydrophobicContact CD1-CD1 4.43Å; Y263-I267 HydrophobicContact CD2-CD1 4.47Å; Y263-I267 HydrophobicContact CE1-CD1 3.94Å; Y263-I267 HydrophobicContact CE2-CD1 3.97Å; Y263-I267 HydrophobicContact CE2-CG1 4.12Å; Y263-I267 WeakPolarHBondContact O-CG1 3.48Å; Y263-I267 PolarHBondContact O-N 2.75Å |
| 264 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 173.7 | -71.2 | 170 | 0 | 0 | 0 | 111.5 | L223 I227 H260 L261 H262 I267 L268 L279 L283 | L223-L264 HydrophobicContact CD2-CD2 4.13Å; I227-L264 HydrophobicContact CD1-CD1 3.84Å; I227-L264 HydrophobicContact CD1-CG 4.36Å; H260-L264 VanDerWaalsContact O-CG 3.28Å; H260-L264 WeakPolarHBondContact O-CG 3.39Å; H260-L264 PolarHBondContact O-N 3.08Å; L261-L264 HydrophobicContact CD2-CD1 4.35Å; L261-L264 PolarHBondContact O-N 3.4Å; H262-L264 VanDerWaalsContact C-N 3.33Å; H262-L264 PolarHBondContact O-N 3.47Å; L264-I267 PolarHBondContact O-N 3.33Å; L264-L268 WeakPolarHBondContact O-CG 3.36Å; L264-L268 PolarHBondContact O-N 2.8Å; L264-L279 HydrophobicContact CD2-CD1 3.84Å; L264-L279 HydrophobicContact CD2-CD2 4.15Å; L264-L279 HydrophobicContact CD2-CG 4.45Å; L264-L283 HydrophobicContact CD1-CD1 4.48Å; L264-L283 HydrophobicContact CD1-CD2 3.78Å; L264-L283 HydrophobicContact CD2-CD1 4.4Å; L264-L283 HydrophobicContact CD2-CD2 4.21Å |
| 265 | N | 97.3 | Very high | 95.2 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 10% | 0.096 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65 | -39.2 | 176.6 | -169.9 | 56.9 | 0 | 0 | 0 | 112.2 | L261 H262 I267 L268 I269 I323 I324 | L261-N265 WeakPolarHBondContact O-CB 3.48Å; L261-N265 PolarHBondContact O-N 2.84Å; H262-N265 WeakPolarHBondContact O-CB 3.17Å; H262-N265 PolarHBondContact O-N 2.74Å; H262-N265 VanDerWaalsContact O-N 3.12Å; N265-I267 VanDerWaalsContact C-N 3.34Å; N265-I267 PolarHBondContact O-N 3.41Å; N265-L268 PolarHBondContact O-N 2.68Å; N265-L268 VanDerWaalsContact O-N 3.13Å; N265-I269 VanDerWaalsContact ND2-CD1 3.29Å; N265-I269 WeakPolarHBondContact ND2-CD1 3.29Å; N265-I269 WeakPolarHBondContact O-CB 3.39Å; N265-I269 WeakPolarHBondContact O-CG1 3.17Å; N265-I269 PolarHBondContact O-N 2.96Å; N265-I323 HydrophobicContact CB-CG2 4.13Å; N265-I323 PolarHBondContact OD1-O 2.81Å; N265-I324 HydrophobicContact CB-CG1 4.29Å; N265-I324 WeakPolarHBondContact OD1-CA 3.44Å |
| 266 | D | 97.8 | Very high | 95.1 | Very high | 71 Ų | 71 | 37.9 Ų | 37.9 | 38% | 0.38 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.1 | -40.6 | 175.8 | -70.6 | -22.7 | 0 | 0 | 0 | 112 | L195 H262 Y263 L268 I269 I270 | L195-D266 HydrophobicContact CD1-CB 3.92Å; L195-D266 HydrophobicContact CD2-CB 3.77Å; H262-D266 PolarHBondContact O-N 3.18Å; Y263-D266 PolarHBondContact O-N 2.71Å; D266-L268 VanDerWaalsContact C-N 3.34Å; D266-I269 PolarHBondContact O-N 3.48Å; D266-I270 WeakPolarHBondContact O-CG1 3.32Å; D266-I270 PolarHBondContact O-N 3.28Å |
| 267 | I | 96.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 173.3 | -63.6 | 164.2 | 0 | 0 | 0 | 110.3 | L195 Y198 F220 Y263 L264 N265 I269 I270 L279 | L195-I267 HydrophobicContact CD2-CG1 3.87Å; Y198-I267 HydrophobicContact CD2-CG1 4.39Å; Y198-I267 HydrophobicContact CD2-CG2 4.37Å; Y198-I267 HydrophobicContact CE2-CD1 4.4Å; Y198-I267 HydrophobicContact CE2-CG1 4.23Å; Y198-I267 HydrophobicContact CE2-CG2 4.37Å; F220-I267 HydrophobicContact CE1-CD1 4.12Å; F220-I267 HydrophobicContact CZ-CG2 4.37Å; Y263-I267 HydrophobicContact CD1-CD1 4.43Å; Y263-I267 HydrophobicContact CD2-CD1 4.47Å; Y263-I267 HydrophobicContact CE1-CD1 3.94Å; Y263-I267 HydrophobicContact CE2-CD1 3.97Å; Y263-I267 HydrophobicContact CE2-CG1 4.12Å; Y263-I267 WeakPolarHBondContact O-CG1 3.48Å; Y263-I267 PolarHBondContact O-N 2.75Å; L264-I267 PolarHBondContact O-N 3.33Å; N265-I267 VanDerWaalsContact C-N 3.34Å; N265-I267 PolarHBondContact O-N 3.41Å; I267-I269 VanDerWaalsContact C-N 3.33Å; I267-I269 PolarHBondContact O-N 3.38Å; I267-I270 WeakPolarHBondContact O-CB 3.29Å; I267-I270 PolarHBondContact O-N 3.36Å; I267-L279 HydrophobicContact CB-CD2 4.08Å; I267-L279 HydrophobicContact CD1-CD2 4.32Å; I267-L279 HydrophobicContact CG2-CD2 3.81Å |
| 268 | L | 96.4 | Very high | 95 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.2 | -35.5 | -179.1 | -65 | 167.3 | 0 | 0 | 0 | 112 | L264 N265 D266 I270 N271 N276 L279 I324 H326 L329 | L264-L268 WeakPolarHBondContact O-CG 3.36Å; L264-L268 PolarHBondContact O-N 2.8Å; N265-L268 PolarHBondContact O-N 2.68Å; N265-L268 VanDerWaalsContact O-N 3.13Å; D266-L268 VanDerWaalsContact C-N 3.34Å; L268-I270 VanDerWaalsContact C-N 3.34Å; L268-I270 PolarHBondContact O-N 3.02Å; L268-N271 WeakPolarHBondContact O-CA 3.5Å; L268-N271 PolarHBondContact O-N 2.98Å; L268-N276 HydrophobicContact CD2-CB 3.98Å; L268-N276 PolarHBondContact O-ND2 3.29Å; L268-L279 HydrophobicContact CD2-CD2 4.05Å; L268-L279 HydrophobicContact CG-CD2 4.14Å; L268-I324 HydrophobicContact CD1-CG2 3.78Å; L268-H326 HydrophobicContact CB-CB 4.03Å; L268-H326 HydrophobicContact CD1-CB 3.89Å; L268-H326 HydrophobicContact CD2-CB 4.35Å; L268-H326 HydrophobicContact CG-CB 4.3Å; L268-L329 HydrophobicContact CD1-CD2 3.76Å |
| 269 | I | 96.3 | Very high | 94.9 | Very high | 116 Ų | 116 | 41.5 Ų | 41.5 | 60% | 0.595 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -69.4 | -24.7 | 176.9 | -75 | 172.2 | 0 | 0 | 0 | 113 | N265 D266 I267 N271 | N265-I269 VanDerWaalsContact ND2-CD1 3.29Å; N265-I269 WeakPolarHBondContact ND2-CD1 3.29Å; N265-I269 WeakPolarHBondContact O-CB 3.39Å; N265-I269 WeakPolarHBondContact O-CG1 3.17Å; N265-I269 PolarHBondContact O-N 2.96Å; D266-I269 PolarHBondContact O-N 3.48Å; I267-I269 VanDerWaalsContact C-N 3.33Å; I267-I269 PolarHBondContact O-N 3.38Å; I269-N271 PolarHBondContact O-N 2.87Å; I269-N271 VanDerWaalsContact O-N 3.13Å |
| 270 | I | 94.3 | Very high | 94.9 | Very high | 34 Ų | 34 | 39.3 Ų | 39.3 | 17% | 0.174 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.6 | 168.2 | -69.5 | 171.5 | 0 | 0 | 0 | 111.4 | L195 L202 D266 I267 L268 C272 | L195-I270 HydrophobicContact CB-CD1 4.23Å; L195-I270 HydrophobicContact CD2-CD1 3.62Å; L202-I270 HydrophobicContact CD1-CG2 4.16Å; L202-I270 HydrophobicContact CD2-CG2 4.42Å; L202-I270 HydrophobicContact CG-CG2 4.42Å; D266-I270 WeakPolarHBondContact O-CG1 3.32Å; D266-I270 PolarHBondContact O-N 3.28Å; I267-I270 WeakPolarHBondContact O-CB 3.29Å; I267-I270 PolarHBondContact O-N 3.36Å; L268-I270 VanDerWaalsContact C-N 3.34Å; L268-I270 PolarHBondContact O-N 3.02Å; I270-C272 VanDerWaalsContact C-N 3.26Å; I270-C272 HydrophobicContact CG2-CB 4.43Å; I270-C272 PolarHBondContact O-N 3.41Å |
| 271 | N | 90.7 | Very high | 94.8 | Very high | 107 Ų | 107 | 41.4 Ų | 41.4 | 57% | 0.572 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 35.5 | 172.7 | -160.2 | 54.9 | 0 | 0 | 0 | 114.1 | L268 I269 E273 | L268-N271 WeakPolarHBondContact O-CA 3.5Å; L268-N271 PolarHBondContact O-N 2.98Å; I269-N271 PolarHBondContact O-N 2.87Å; I269-N271 VanDerWaalsContact O-N 3.13Å; N271-E273 PolarHBondContact O-N 3.38Å |
| 272 | C | 91.9 | Very high | 94.6 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | trans | -83.7 | 97.6 | 170.1 | -179.1 | 0 | 0 | 0 | 0 | 109 | L202 I270 F274 L275 N276 | L202-C272 HydrophobicContact CD2-CB 3.67Å; I270-C272 VanDerWaalsContact C-N 3.26Å; I270-C272 HydrophobicContact CG2-CB 4.43Å; I270-C272 PolarHBondContact O-N 3.41Å; C272-F274 VanDerWaalsContact C-N 3.33Å; C272-F274 PolarHBondContact O-N 2.92Å; C272-F274 VanDerWaalsContact O-N 3.15Å; C272-L275 HydrophobicContact CB-CB 4.1Å; C272-L275 HydrophobicContact CB-CD1 4Å; C272-L275 HydrophobicContact CB-CG 4.21Å; C272-L275 PolarHBondContact O-N 3.38Å; C272-N276 PolarHBondContact O-N 3.02Å; C272-N276 PolarHBondContact O-OD1 3.1Å | ||
| 273 | E | 89.9 | Confident | 94.6 | Very high | 135 Ų | 135 | 37.5 Ų | 37.5 | 63% | 0.631 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -40.8 | -55.2 | -176.5 | -62.7 | 178.6 | 163.5 | 0 | 0 | 112.9 | N271 L275 N276 D277 | N271-E273 PolarHBondContact O-N 3.38Å; E273-L275 VanDerWaalsContact C-N 3.29Å; E273-L275 PolarHBondContact O-N 3.11Å; E273-N276 PolarHBondContact O-N 2.9Å; E273-N276 VanDerWaalsContact O-N 3.08Å; E273-D277 PolarHBondContact O-N 3.16Å |
| 274 | F | 88.3 | Confident | 94.3 | Very high | 83 Ų | 83 | 37.9 Ų | 37.9 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.5 | -25 | -179.2 | -55.6 | -60.3 | 0 | 0 | 0 | 115.8 | C272 V278 | C272-F274 VanDerWaalsContact C-N 3.33Å; C272-F274 PolarHBondContact O-N 2.92Å; C272-F274 VanDerWaalsContact O-N 3.15Å; F274-V278 VanDerWaalsContact O-CG2 3.3Å; F274-V278 WeakPolarHBondContact O-CG2 3.4Å |
| 275 | L | 92.6 | Very high | 94 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -83.2 | -39.2 | 173.4 | -71 | 177.4 | 0 | 0 | 0 | 110.2 | Y198 I211 A216 F220 C272 E273 V278 L279 | Y198-L275 HydrophobicContact CD1-CD1 3.71Å; Y198-L275 HydrophobicContact CD2-CD1 4.15Å; Y198-L275 HydrophobicContact CE1-CD1 4.14Å; Y198-L275 HydrophobicContact CG-CD1 3.71Å; I211-L275 HydrophobicContact CG2-CD2 3.9Å; A216-L275 HydrophobicContact CB-CD2 4.02Å; F220-L275 HydrophobicContact CE2-CD2 4.34Å; F220-L275 HydrophobicContact CZ-CD2 4.44Å; C272-L275 HydrophobicContact CB-CB 4.1Å; C272-L275 HydrophobicContact CB-CD1 4Å; C272-L275 HydrophobicContact CB-CG 4.21Å; C272-L275 PolarHBondContact O-N 3.38Å; E273-L275 VanDerWaalsContact C-N 3.29Å; E273-L275 PolarHBondContact O-N 3.11Å; L275-V278 PolarHBondContact O-N 3.16Å; L275-L279 WeakPolarHBondContact O-CB 3.46Å; L275-L279 PolarHBondContact O-N 2.94Å |
| 276 | N | 94.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.5 | -40 | 177.9 | -68.8 | 9.4 | 0 | 0 | 0 | 111.2 | L268 C272 E273 T280 H326 | L268-N276 HydrophobicContact CD2-CB 3.98Å; L268-N276 PolarHBondContact O-ND2 3.29Å; C272-N276 PolarHBondContact O-N 3.02Å; C272-N276 PolarHBondContact O-OD1 3.1Å; E273-N276 PolarHBondContact O-N 2.9Å; E273-N276 VanDerWaalsContact O-N 3.08Å; N276-T280 WeakPolarHBondContact O-CB 3.42Å; N276-T280 PolarHBondContact O-N 3.44Å; N276-T280 PolarHBondContact O-OG1 3Å; N276-H326 PolarHBondContact ND2-CE1 2.95Å |
| 277 | D | 93.6 | Very high | 93.5 | Very high | 103 Ų | 103 | 39.1 Ų | 39.1 | 55% | 0.551 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -57.1 | -55.4 | 172.2 | -73.1 | -24.1 | 0 | 0 | 0 | 111.8 | E273 L279 T280 D281 | E273-D277 PolarHBondContact O-N 3.16Å; D277-L279 VanDerWaalsContact C-N 3.34Å; D277-L279 PolarHBondContact O-N 3.49Å; D277-T280 PolarHBondContact O-N 3.41Å; D277-D281 PolarHBondContact O-N 3.01Å |
| 278 | V | 94 | Very high | 93.4 | Very high | 27 Ų | 27 | 39.1 Ų | 39.1 | 16% | 0.164 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.1 | -38.2 | -176.1 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | R212 V217 F220 F274 L275 H282 | R212-V278 HydrophobicContact CG-CG2 4.31Å; V217-V278 HydrophobicContact CG2-CG1 3.87Å; F220-V278 HydrophobicContact CD2-CB 4.5Å; F220-V278 HydrophobicContact CD2-CG1 4.06Å; F274-V278 VanDerWaalsContact O-CG2 3.3Å; F274-V278 WeakPolarHBondContact O-CG2 3.4Å; L275-V278 PolarHBondContact O-N 3.16Å; V278-H282 PolarHBondContact O-N 3.37Å; V278-H282 PolarHBondContact O-ND1 3.31Å |
| 279 | L | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.7 | -41 | 175.9 | -173.8 | 56.3 | 0 | 0 | 0 | 111.5 | F220 L264 I267 L268 L275 D277 H282 L283 | F220-L279 HydrophobicContact CB-CD1 4.21Å; F220-L279 HydrophobicContact CD1-CD1 3.82Å; F220-L279 HydrophobicContact CD2-CB 4.02Å; F220-L279 HydrophobicContact CD2-CD1 4.03Å; F220-L279 HydrophobicContact CE1-CD1 4.14Å; F220-L279 HydrophobicContact CE2-CB 3.85Å; F220-L279 HydrophobicContact CE2-CD1 4.33Å; F220-L279 HydrophobicContact CG-CD1 3.78Å; F220-L279 HydrophobicContact CZ-CB 4.31Å; F220-L279 HydrophobicContact CZ-CD1 4.39Å; L264-L279 HydrophobicContact CD2-CD1 3.84Å; L264-L279 HydrophobicContact CD2-CD2 4.15Å; L264-L279 HydrophobicContact CD2-CG 4.45Å; I267-L279 HydrophobicContact CB-CD2 4.08Å; I267-L279 HydrophobicContact CD1-CD2 4.32Å; I267-L279 HydrophobicContact CG2-CD2 3.81Å; L268-L279 HydrophobicContact CD2-CD2 4.05Å; L268-L279 HydrophobicContact CG-CD2 4.14Å; L275-L279 WeakPolarHBondContact O-CB 3.46Å; L275-L279 PolarHBondContact O-N 2.94Å; D277-L279 VanDerWaalsContact C-N 3.34Å; D277-L279 PolarHBondContact O-N 3.49Å; L279-H282 PolarHBondContact O-N 2.93Å; L279-L283 HydrophobicContact CD1-CD1 4.16Å; L279-L283 HydrophobicContact CD1-CG 4.12Å; L279-L283 HydrophobicContact CG-CD1 3.87Å; L279-L283 HydrophobicContact CG-CG 4.28Å; L279-L283 WeakPolarHBondContact O-CB 3.35Å; L279-L283 WeakPolarHBondContact O-CG 3.23Å; L279-L283 PolarHBondContact O-N 3.21Å |
| 280 | T | 95.7 | Very high | 92.8 | Very high | 17 Ų | 17 | 34.2 Ų | 34.2 | 10% | 0.104 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 178.1 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | N276 D277 H282 L283 L284 L329 | N276-T280 WeakPolarHBondContact O-CB 3.42Å; N276-T280 PolarHBondContact O-N 3.44Å; N276-T280 PolarHBondContact O-OG1 3Å; D277-T280 PolarHBondContact O-N 3.41Å; T280-H282 PolarHBondContact O-N 3.32Å; T280-L283 PolarHBondContact O-N 2.73Å; T280-L284 HydrophobicContact CG2-CD1 3.68Å; T280-L284 HydrophobicContact CG2-CG 4.29Å; T280-L284 WeakPolarHBondContact O-CB 3.4Å; T280-L284 WeakPolarHBondContact O-CG 3.23Å; T280-L284 PolarHBondContact O-N 3.34Å; T280-L329 HydrophobicContact CG2-CB 4.01Å; T280-L329 HydrophobicContact CG2-CD1 4.12Å |
| 281 | D | 93.7 | Very high | 92.7 | Very high | 46 Ų | 46 | 32.6 Ų | 32.6 | 25% | 0.246 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 171.8 | 170.8 | 67 | 0 | 0 | 0 | 111.7 | D277 N285 S361 | D277-D281 PolarHBondContact O-N 3.01Å; D281-N285 WeakPolarHBondContact O-CB 3.39Å; D281-N285 PolarHBondContact O-N 2.88Å; D281-N285 PolarHBondContact OD1-ND2 2.72Å; D281-S361 PolarHBondContact OD1-OG 2.8Å |
| 282 | H | 94.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.2 | -42.8 | -179.2 | -74.1 | 72.2 | 0 | 0 | 0 | 112 | F220 V224 V278 L279 T280 R286 | F220-H282 HydrophobicContact CB-CB 4.36Å; V224-H282 HydrophobicContact CG2-CB 4.2Å; V278-H282 PolarHBondContact O-N 3.37Å; V278-H282 PolarHBondContact O-ND1 3.31Å; L279-H282 PolarHBondContact O-N 2.93Å; T280-H282 PolarHBondContact O-N 3.32Å; H282-R286 PolarHBondContact CD2-NE 3.44Å; H282-R286 PolarHBondContact NE2-NH2 2.99Å; H282-R286 WeakPolarHBondContact O-CA 3.21Å; H282-R286 WeakPolarHBondContact O-CB 3.35Å; H282-R286 PolarHBondContact O-N 3.42Å; H282-R286 VanDerWaalsContact O-N 3.11Å |
| 283 | L | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.7 | -51.3 | 177.3 | -71.7 | 174.2 | 0 | 0 | 0 | 111.5 | V224 L264 L279 T280 L287 F288 L329 | V224-L283 HydrophobicContact CG2-CD2 3.91Å; L264-L283 HydrophobicContact CD1-CD1 4.48Å; L264-L283 HydrophobicContact CD1-CD2 3.78Å; L264-L283 HydrophobicContact CD2-CD1 4.4Å; L264-L283 HydrophobicContact CD2-CD2 4.21Å; L279-L283 HydrophobicContact CD1-CD1 4.16Å; L279-L283 HydrophobicContact CD1-CG 4.12Å; L279-L283 HydrophobicContact CG-CD1 3.87Å; L279-L283 HydrophobicContact CG-CG 4.28Å; L279-L283 WeakPolarHBondContact O-CB 3.35Å; L279-L283 WeakPolarHBondContact O-CG 3.23Å; L279-L283 PolarHBondContact O-N 3.21Å; T280-L283 PolarHBondContact O-N 2.73Å; L283-L287 HydrophobicContact CD2-CD2 4.27Å; L283-L287 CarbonylContact O-C 3.53Å; L283-L287 PolarHBondContact O-N 2.95Å; L283-L287 VanDerWaalsContact O-N 3.13Å; L283-F288 HydrophobicContact CB-CD2 4.08Å; L283-F288 HydrophobicContact CB-CE2 3.92Å; L283-F288 HydrophobicContact CB-CZ 4.3Å; L283-F288 HydrophobicContact CD1-CE2 4.21Å; L283-F288 HydrophobicContact CD1-CZ 4.29Å; L283-F288 HydrophobicContact CD2-CE1 4.18Å; L283-F288 HydrophobicContact CD2-CE2 4.39Å; L283-F288 HydrophobicContact CD2-CZ 3.92Å; L283-F288 HydrophobicContact CG-CE2 4.41Å; L283-F288 HydrophobicContact CG-CZ 4.4Å; L283-F288 PolarHBondContact O-N 2.93Å; L283-L329 HydrophobicContact CB-CD1 4.18Å; L283-L329 HydrophobicContact CD1-CD2 3.7Å |
| 284 | L | 93.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 21.3 Ų | 21.3 | 8% | 0.079 | 11% | 0.105 | C | C | . | . | I | π-helix | trans | -65.2 | -62 | 179.4 | -70.5 | 173 | 0 | 0 | 0 | 111.7 | T280 R286 L289 P290 L329 L333 | T280-L284 HydrophobicContact CG2-CD1 3.68Å; T280-L284 HydrophobicContact CG2-CG 4.29Å; T280-L284 WeakPolarHBondContact O-CB 3.4Å; T280-L284 WeakPolarHBondContact O-CG 3.23Å; T280-L284 PolarHBondContact O-N 3.34Å; L284-R286 VanDerWaalsContact C-N 3.33Å; L284-R286 PolarHBondContact O-N 3.32Å; L284-L289 HydrophobicContact CB-CD1 4.36Å; L284-L289 HydrophobicContact CB-CG 4.45Å; L284-L289 HydrophobicContact CD2-CG 4.44Å; L284-L289 VanDerWaalsContact O-CB 3.23Å; L284-L289 WeakPolarHBondContact O-CB 3.49Å; L284-L289 VanDerWaalsContact O-CG 3.3Å; L284-L289 WeakPolarHBondContact O-CG 3.29Å; L284-L289 PolarHBondContact O-N 3.11Å; L284-L289 VanDerWaalsContact O-N 3.08Å; L284-P290 VanDerWaalsContact O-CD 3.3Å; L284-P290 WeakPolarHBondContact O-CD 3.41Å; L284-L329 HydrophobicContact CD1-CD1 4.33Å; L284-L329 HydrophobicContact CD2-CD1 3.78Å; L284-L329 HydrophobicContact CG-CD1 3.67Å; L284-L333 HydrophobicContact CD2-CB 4.03Å; L284-L333 HydrophobicContact CD2-CD1 4.5Å |
| 285 | N | 90.9 | Very high | 92.6 | Very high | 30 Ų | 30 | 17.7 Ų | 17.7 | 16% | 0.16 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -79.7 | -12.3 | -166.9 | -65.8 | -51.4 | 0 | 0 | 0 | 113.7 | D281 R363 C364 | D281-N285 WeakPolarHBondContact O-CB 3.39Å; D281-N285 PolarHBondContact O-N 2.88Å; D281-N285 PolarHBondContact OD1-ND2 2.72Å; N285-R363 HydrophobicContact CB-CG 4.23Å; N285-R363 WeakPolarHBondContact O-CA 3.42Å; N285-R363 WeakPolarHBondContact OD1-CG 3.48Å; N285-R363 PolarHBondContact OD1-NE 2.93Å; N285-R363 VanDerWaalsContact OD1-NE 3.17Å; N285-C364 PolarHBondContact O-N 3.4Å |
| 286 | R | 90.8 | Very high | 92.3 | Very high | 85 Ų | 85 | 17.4 Ų | 17.4 | 32% | 0.321 | 9% | 0.088 | S | C | . | . | I | π-helix | trans | -119.2 | -15.4 | 178.8 | -46.6 | -171.9 | -172.3 | -147.8 | 5.9 | 116.1 | S221 V224 H282 L284 P290 F365 | S221-R286 PolarHBondContact OG-NH1 2.98Å; V224-R286 HydrophobicContact CG1-CB 4.28Å; H282-R286 PolarHBondContact CD2-NE 3.44Å; H282-R286 PolarHBondContact NE2-NH2 2.99Å; H282-R286 WeakPolarHBondContact O-CA 3.21Å; H282-R286 WeakPolarHBondContact O-CB 3.35Å; H282-R286 PolarHBondContact O-N 3.42Å; H282-R286 VanDerWaalsContact O-N 3.11Å; L284-R286 VanDerWaalsContact C-N 3.33Å; L284-R286 PolarHBondContact O-N 3.32Å; R286-P290 WeakPolarHBondContact O-CG 3.35Å; R286-F365 WeakPolarHBondContact O-CD2 3.43Å |
| 287 | L | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -130.7 | -69 | -179.4 | 179.5 | 68.2 | 0 | 0 | 0 | 113.4 | V224 I227 L283 L289 P290 L291 Y292 F365 | V224-L287 HydrophobicContact CG1-CB 3.48Å; V224-L287 VanDerWaalsContact CG1-CB 3.48Å; V224-L287 HydrophobicContact CG1-CD2 4.09Å; V224-L287 HydrophobicContact CG1-CG 4.33Å; I227-L287 HydrophobicContact CB-CD2 4.41Å; I227-L287 HydrophobicContact CG2-CD2 3.89Å; L283-L287 HydrophobicContact CD2-CD2 4.27Å; L283-L287 CarbonylContact O-C 3.53Å; L283-L287 PolarHBondContact O-N 2.95Å; L283-L287 VanDerWaalsContact O-N 3.13Å; L287-L289 PolarHBondContact O-N 2.91Å; L287-P290 WeakPolarHBondContact O-CD 3.09Å; L287-L291 HydrophobicContact CD1-CB 4.41Å; L287-L291 HydrophobicContact CD1-CD2 3.88Å; L287-L291 WeakPolarHBondContact O-CA 3.25Å; L287-L291 WeakPolarHBondContact O-CB 3.49Å; L287-L291 PolarHBondContact O-N 2.96Å; L287-Y292 HydrophobicContact CD1-CE1 3.8Å; L287-Y292 HydrophobicContact CG-CE1 4.1Å; L287-Y292 PolarHBondContact O-N 3.09Å; L287-F365 HydrophobicContact CD1-CD2 4.46Å; L287-F365 HydrophobicContact CD1-CE2 4.4Å |
| 288 | F | 94.5 | Very high | 90 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -61.9 | -45.8 | -170.6 | -62.5 | -15.7 | 0 | 0 | 0 | 112 | L283 Y292 V293 V320 I324 L329 L333 | L283-F288 HydrophobicContact CB-CD2 4.08Å; L283-F288 HydrophobicContact CB-CE2 3.92Å; L283-F288 HydrophobicContact CB-CZ 4.3Å; L283-F288 HydrophobicContact CD1-CE2 4.21Å; L283-F288 HydrophobicContact CD1-CZ 4.29Å; L283-F288 HydrophobicContact CD2-CE1 4.18Å; L283-F288 HydrophobicContact CD2-CE2 4.39Å; L283-F288 HydrophobicContact CD2-CZ 3.92Å; L283-F288 HydrophobicContact CG-CE2 4.41Å; L283-F288 HydrophobicContact CG-CZ 4.4Å; L283-F288 PolarHBondContact O-N 2.93Å; F288-Y292 AromaticContact CD1-CD2 3.71Å; F288-Y292 HydrophobicContact CD1-CD2 3.71Å; F288-Y292 AromaticContact CD1-CE2 3.39Å; F288-Y292 HydrophobicContact CD1-CE2 3.39Å; F288-Y292 HydrophobicContact CE1-CD2 4.39Å; F288-Y292 AromaticContact CE1-CE2 3.68Å; F288-Y292 HydrophobicContact CE1-CE2 3.68Å; F288-Y292 HydrophobicContact CG-CD2 4.43Å; F288-Y292 HydrophobicContact CG-CE2 4.48Å; F288-Y292 WeakPolarHBondContact O-CB 3.37Å; F288-Y292 PolarHBondContact O-N 2.93Å; F288-V293 WeakPolarHBondContact O-CG2 3.45Å; F288-V293 PolarHBondContact O-N 3.28Å; F288-V320 HydrophobicContact CD1-CG2 4.31Å; F288-V320 HydrophobicContact CD2-CG1 4.27Å; F288-V320 HydrophobicContact CE1-CG2 3.71Å; F288-V320 HydrophobicContact CE2-CG1 3.78Å; F288-V320 HydrophobicContact CE2-CG2 4.18Å; F288-V320 HydrophobicContact CZ-CG1 4.05Å; F288-V320 HydrophobicContact CZ-CG2 3.63Å; F288-I324 HydrophobicContact CE2-CD1 4.44Å; F288-I324 HydrophobicContact CZ-CD1 4.17Å; F288-L329 HydrophobicContact CD2-CD1 4.01Å; F288-L329 HydrophobicContact CE2-CD1 3.99Å; F288-L329 HydrophobicContact CE2-CD2 4.3Å; F288-L329 HydrophobicContact CE2-CG 4.42Å; F288-L333 HydrophobicContact CB-CD1 3.94Å; F288-L333 HydrophobicContact CB-CD2 4.47Å; F288-L333 HydrophobicContact CD2-CD2 4.08Å |
| 289 | L | 90.6 | Very high | 88.2 | Confident | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -72.2 | -56.7 | 174.9 | -54.4 | -177.6 | 0 | 0 | 0 | 112.4 | L284 L287 L291 V293 Y294 L333 V336 | L284-L289 HydrophobicContact CB-CD1 4.36Å; L284-L289 HydrophobicContact CB-CG 4.45Å; L284-L289 HydrophobicContact CD2-CG 4.44Å; L284-L289 VanDerWaalsContact O-CB 3.23Å; L284-L289 WeakPolarHBondContact O-CB 3.49Å; L284-L289 VanDerWaalsContact O-CG 3.3Å; L284-L289 WeakPolarHBondContact O-CG 3.29Å; L284-L289 PolarHBondContact O-N 3.11Å; L284-L289 VanDerWaalsContact O-N 3.08Å; L287-L289 PolarHBondContact O-N 2.91Å; L289-L291 PolarHBondContact O-N 3.44Å; L289-V293 HydrophobicContact CD2-CB 4.39Å; L289-V293 HydrophobicContact CD2-CG2 4.01Å; L289-Y294 WeakPolarHBondContact O-CD1 3.3Å; L289-Y294 PolarHBondContact O-N 3.35Å; L289-L333 HydrophobicContact CD2-CD1 3.83Å; L289-V336 HydrophobicContact CD1-CG2 4.24Å; L289-V336 HydrophobicContact CD2-CB 3.89Å; L289-V336 HydrophobicContact CD2-CG1 3.85Å; L289-V336 HydrophobicContact CD2-CG2 4.14Å |
| 290 | P | 89.7 | Confident | 85.9 | Confident | 12 Ų | 12 | 28.9 Ų | 28.9 | 8% | 0.078 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -75.8 | -20.4 | -170.4 | 30.9 | -38.3 | 0 | 0 | 0 | 116.1 | L284 R286 L287 Y294 F365 | L284-P290 VanDerWaalsContact O-CD 3.3Å; L284-P290 WeakPolarHBondContact O-CD 3.41Å; R286-P290 WeakPolarHBondContact O-CG 3.35Å; L287-P290 WeakPolarHBondContact O-CD 3.09Å; P290-Y294 HydrophobicContact CB-CD2 4.32Å; P290-Y294 HydrophobicContact CB-CE2 4.47Å; P290-F365 HydrophobicContact CB-CB 4.46Å; P290-F365 HydrophobicContact CG-CB 4.35Å |
| 291 | L | 90.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -110.5 | -42.3 | 179.4 | -171 | 62.9 | 0 | 0 | 0 | 112.4 | V231 I232 L287 L289 S295 P306 I308 F365 | V231-L291 HydrophobicContact CG1-CD2 4.13Å; I232-L291 HydrophobicContact CD1-CD1 4.46Å; I232-L291 HydrophobicContact CG1-CD1 4.45Å; I232-L291 HydrophobicContact CG1-CD2 4.45Å; L287-L291 HydrophobicContact CD1-CB 4.41Å; L287-L291 HydrophobicContact CD1-CD2 3.88Å; L287-L291 WeakPolarHBondContact O-CA 3.25Å; L287-L291 WeakPolarHBondContact O-CB 3.49Å; L287-L291 PolarHBondContact O-N 2.96Å; L289-L291 PolarHBondContact O-N 3.44Å; L291-S295 VanDerWaalsContact O-CB 3.28Å; L291-S295 WeakPolarHBondContact O-CB 3.49Å; L291-S295 PolarHBondContact O-OG 3.48Å; L291-P306 HydrophobicContact CD1-CB 4.44Å; L291-P306 WeakPolarHBondContact CD1-O 3.47Å; L291-I308 HydrophobicContact CD1-CG2 4.24Å; L291-F365 HydrophobicContact CD2-CD2 4.42Å; L291-F365 HydrophobicContact CD2-CE2 4.46Å |
| 292 | Y | 93.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -86.1 | -66.3 | -178.7 | -50 | -10 | 0 | 0 | 0 | 110.4 | V231 L287 F288 Y294 S295 I308 S313 L316 L317 V320 | V231-Y292 HydrophobicContact CG1-CE1 3.97Å; V231-Y292 HydrophobicContact CG2-CE1 4.27Å; L287-Y292 HydrophobicContact CD1-CE1 3.8Å; L287-Y292 HydrophobicContact CG-CE1 4.1Å; L287-Y292 PolarHBondContact O-N 3.09Å; F288-Y292 AromaticContact CD1-CD2 3.71Å; F288-Y292 HydrophobicContact CD1-CD2 3.71Å; F288-Y292 AromaticContact CD1-CE2 3.39Å; F288-Y292 HydrophobicContact CD1-CE2 3.39Å; F288-Y292 HydrophobicContact CE1-CD2 4.39Å; F288-Y292 AromaticContact CE1-CE2 3.68Å; F288-Y292 HydrophobicContact CE1-CE2 3.68Å; F288-Y292 HydrophobicContact CG-CD2 4.43Å; F288-Y292 HydrophobicContact CG-CE2 4.48Å; F288-Y292 WeakPolarHBondContact O-CB 3.37Å; F288-Y292 PolarHBondContact O-N 2.93Å; Y292-Y294 PolarHBondContact O-N 3.19Å; Y292-S295 WeakPolarHBondContact O-CB 3.22Å; Y292-S295 PolarHBondContact O-N 3.38Å; Y292-I308 HydrophobicContact CD1-CD1 4.02Å; Y292-S313 PolarHBondContact O-OG 3.27Å; Y292-L316 HydrophobicContact CD1-CD1 4.14Å; Y292-L316 HydrophobicContact CD2-CB 4.06Å; Y292-L316 HydrophobicContact CE1-CD1 3.9Å; Y292-L316 HydrophobicContact CE2-CB 3.99Å; Y292-L316 HydrophobicContact CG-CB 4.41Å; Y292-L317 HydrophobicContact CD2-CD2 4.15Å; Y292-V320 HydrophobicContact CE2-CG2 4.24Å |
| 293 | V | 90.7 | Very high | 79.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -61.5 | -42.1 | -174.7 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | F288 L289 S295 L296 L317 L333 V336 I337 F481 | F288-V293 WeakPolarHBondContact O-CG2 3.45Å; F288-V293 PolarHBondContact O-N 3.28Å; L289-V293 HydrophobicContact CD2-CB 4.39Å; L289-V293 HydrophobicContact CD2-CG2 4.01Å; V293-S295 PolarHBondContact O-N 3.38Å; V293-L296 HydrophobicContact CG1-CD1 4.38Å; V293-L296 WeakPolarHBondContact O-CB 3.34Å; V293-L296 WeakPolarHBondContact O-CG 3.49Å; V293-L296 PolarHBondContact O-N 2.91Å; V293-L317 HydrophobicContact CG2-CD1 4.35Å; V293-L317 HydrophobicContact CG2-CD2 4.03Å; V293-L333 HydrophobicContact CG2-CD1 3.69Å; V293-V336 HydrophobicContact CG1-CG1 4.43Å; V293-I337 HydrophobicContact CG1-CG1 4.03Å; V293-I337 HydrophobicContact CG2-CD1 3.96Å; V293-I337 HydrophobicContact CG2-CG1 3.63Å; V293-F481 HydrophobicContact CG1-CD1 3.93Å; V293-F481 HydrophobicContact CG1-CD2 4.03Å; V293-F481 HydrophobicContact CG1-CE1 4.07Å; V293-F481 HydrophobicContact CG1-CE2 4.17Å; V293-F481 HydrophobicContact CG1-CG 3.91Å; V293-F481 HydrophobicContact CG1-CZ 4.19Å; V293-F481 WeakPolarHBondContact O-CE1 3.33Å |
| 294 | Y | 87.4 | Confident | 77.4 | Confident | 13 Ų | 13 | 50 Ų | 50 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -73.1 | -9.2 | 177.9 | -61 | -10.1 | 0 | 0 | 0 | 114 | L289 P290 Y292 L296 M345 R363 F481 | L289-Y294 WeakPolarHBondContact O-CD1 3.3Å; L289-Y294 PolarHBondContact O-N 3.35Å; P290-Y294 HydrophobicContact CB-CD2 4.32Å; P290-Y294 HydrophobicContact CB-CE2 4.47Å; Y292-Y294 PolarHBondContact O-N 3.19Å; Y294-L296 VanDerWaalsContact C-N 3.33Å; Y294-M345 HydrophobicContact CD1-CE 3.8Å; Y294-M345 HydrophobicContact CD1-CG 4.4Å; Y294-M345 HydrophobicContact CD1-SD 3.78Å; Y294-M345 HydrophobicContact CD2-CE 3.89Å; Y294-M345 HydrophobicContact CE1-CE 4.17Å; Y294-M345 HydrophobicContact CE1-CG 3.8Å; Y294-M345 HydrophobicContact CE1-SD 3.69Å; Y294-M345 HydrophobicContact CE2-CE 4.27Å; Y294-M345 HydrophobicContact CE2-CG 4.1Å; Y294-M345 HydrophobicContact CG-CE 3.67Å; Y294-M345 HydrophobicContact CG-SD 4.28Å; Y294-R363 WeakPolarHBondContact OH-CD 3.41Å; Y294-F481 HydrophobicContact CD1-CE1 4.25Å; Y294-F481 AromaticContact CD1-CZ 3.9Å; Y294-F481 HydrophobicContact CD1-CZ 3.9Å; Y294-F481 HydrophobicContact CE1-CZ 4.17Å |
| 295 | S | 89.2 | Confident | 76.2 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -85.6 | -4.8 | 167.6 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | L291 Y292 V293 E297 K307 I308 | L291-S295 VanDerWaalsContact O-CB 3.28Å; L291-S295 WeakPolarHBondContact O-CB 3.49Å; L291-S295 PolarHBondContact O-OG 3.48Å; Y292-S295 WeakPolarHBondContact O-CB 3.22Å; Y292-S295 PolarHBondContact O-N 3.38Å; V293-S295 PolarHBondContact O-N 3.38Å; S295-E297 PolarHBondContact O-N 3.11Å; S295-K307 WeakPolarHBondContact OG-CA 3.42Å; S295-I308 WeakPolarHBondContact CB-O 3.34Å; S295-I308 WeakPolarHBondContact OG-CG1 3.38Å; S295-I308 PolarHBondContact OG-N 2.71Å |
| 296 | L | 85.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -75.8 | -3 | 168.1 | -58.5 | 179.5 | 0 | 0 | 0 | 112.8 | V293 Y294 L310 S313 L314 L317 F481 M484 V485 | V293-L296 HydrophobicContact CG1-CD1 4.38Å; V293-L296 WeakPolarHBondContact O-CB 3.34Å; V293-L296 WeakPolarHBondContact O-CG 3.49Å; V293-L296 PolarHBondContact O-N 2.91Å; Y294-L296 VanDerWaalsContact C-N 3.33Å; L296-L310 HydrophobicContact CD2-CD1 3.82Å; L296-S313 WeakPolarHBondContact CD2-OG 3.42Å; L296-L314 HydrophobicContact CD2-CD2 3.81Å; L296-L314 HydrophobicContact CD2-CG 4.09Å; L296-L317 HydrophobicContact CD1-CD1 3.78Å; L296-L317 HydrophobicContact CD2-CD1 4.18Å; L296-L317 HydrophobicContact CG-CD1 4.21Å; L296-F481 HydrophobicContact CB-CD1 4.06Å; L296-F481 HydrophobicContact CD1-CB 4.28Å; L296-M484 HydrophobicContact CB-CE 3.67Å; L296-M484 HydrophobicContact CD2-CE 3.72Å; L296-M484 HydrophobicContact CG-CE 4.16Å; L296-M484 VanDerWaalsContact O-CG 3.31Å; L296-M484 WeakPolarHBondContact O-CG 3.4Å; L296-V485 HydrophobicContact CD1-CG2 4.48Å |
| 297 | E | 78.6 | Confident | 75.3 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 9% | 0.089 | 31% | 0.309 | C | S | . | . | trans | -103 | 112.7 | -175.7 | -167.6 | -165 | -170.3 | 0 | 0 | 113.1 | S295 Q299 K307 L342 F481 | S295-E297 PolarHBondContact O-N 3.11Å; E297-Q299 HydrophobicContact CG-CB 4.44Å; E297-Q299 HydrophobicContact CG-CG 4.22Å; E297-Q299 PolarHBondContact O-N 3.18Å; E297-Q299 PolarHBondContact OE1-NE2 3.19Å; E297-K307 PolarHBondContact O-NZ 3.3Å; E297-L342 VanDerWaalsContact OE1-CD1 3.27Å; E297-L342 WeakPolarHBondContact OE1-CD1 3.46Å; E297-F481 HydrophobicContact CB-CE1 4.48Å | ||
| 298 | N | 61.4 | Low | 75.2 | Confident | 123 Ų | 123 | 57.3 Ų | 57.3 | 66% | 0.658 | 31% | 0.312 | S | S | * | . | trans | -75.3 | 56.6 | 175.5 | -69.7 | -12.1 | 0 | 0 | 0 | 113.3 | ||||
| 299 | Q | 55.5 | Low | 75.1 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | trans | -113.1 | 111.2 | 167.7 | -71.3 | -153 | 81.6 | 0 | 0 | 112.1 | E297 K301 K307 | E297-Q299 HydrophobicContact CG-CB 4.44Å; E297-Q299 HydrophobicContact CG-CG 4.22Å; E297-Q299 PolarHBondContact O-N 3.18Å; E297-Q299 PolarHBondContact OE1-NE2 3.19Å; Q299-K301 PolarHBondContact O-N 3.11Å; Q299-K301 VanDerWaalsContact O-N 3.17Å; Q299-K301 VanDerWaalsContact OE1-CE 3.27Å; Q299-K307 PolarHBondContact O-NZ 3.16Å | ||
| 300 | D | 49.6 | Very low | 75.2 | Confident | 171 Ų | 171 | 59.4 Ų | 59.4 | 91% | 0.914 | 33% | 0.325 | S | S | * | . | trans | -72.3 | 12.7 | 169.5 | -71.6 | -43.6 | 0 | 0 | 0 | 113.9 | G302 | D300-G302 VanDerWaalsContact C-N 3.26Å; D300-G302 PolarHBondContact O-N 2.92Å | ||
| 301 | K | 48 | Very low | 75.3 | Confident | 161 Ų | 161 | 59.2 Ų | 59.2 | 70% | 0.7 | 32% | 0.324 | S | S | * | . | trans | -76.7 | 83.2 | 177.1 | -67.4 | -179.5 | -170.3 | 150.3 | 0 | 108.7 | Q299 G303 | Q299-K301 PolarHBondContact O-N 3.11Å; Q299-K301 VanDerWaalsContact O-N 3.17Å; Q299-K301 VanDerWaalsContact OE1-CE 3.27Å; K301-G303 PolarHBondContact O-N 3.47Å | ||
| 302 | G | 43.9 | Very low | 75.5 | Confident | 82 Ų | 82 | 59.2 Ų | 59.2 | 85% | 0.845 | 32% | 0.324 | S | S | * | . | trans | -48.9 | 115.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | D300 | D300-G302 VanDerWaalsContact C-N 3.26Å; D300-G302 PolarHBondContact O-N 2.92Å | ||
| 303 | G | 52.1 | Low | 75.6 | Confident | 59 Ų | 59 | 59.2 Ų | 59.2 | 61% | 0.608 | 32% | 0.324 | S | S | * | . | trans | -123.1 | 151.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | K301 R305 | K301-G303 PolarHBondContact O-N 3.47Å; G303-R305 PolarHBondContact O-N 3.37Å | ||
| 304 | E | 56.2 | Low | 75.8 | Confident | 210 Ų | 210 | 59.2 Ų | 59.2 | 98% | 0.981 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -72.8 | 35.4 | -172.6 | -54.1 | 177.5 | 129.9 | 0 | 0 | 114.3 | ||
| 305 | R | 67.7 | Low | 76.2 | Confident | 124 Ų | 124 | 58.7 Ų | 58.7 | 47% | 0.468 | 32% | 0.322 | S | S | . | . | trans | -100.4 | 130.8 | 179.9 | -63 | -176 | -176.3 | 174.6 | 4.1 | 109.5 | G303 K307 | G303-R305 PolarHBondContact O-N 3.37Å; R305-K307 PolarHBondContact O-N 3.28Å | ||
| 306 | P | 77.3 | Confident | 76.5 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 34% | 0.344 | 32% | 0.32 | S | S | . | . | trans | -63.5 | 129.9 | 174.2 | 25.9 | -31.7 | 0 | 0 | 0 | 109.9 | I232 L291 F365 | I232-P306 HydrophobicContact CD1-CB 4.09Å; L291-P306 HydrophobicContact CD1-CB 4.44Å; L291-P306 WeakPolarHBondContact CD1-O 3.47Å; P306-F365 HydrophobicContact CG-CD1 3.72Å; P306-F365 HydrophobicContact CG-CE1 4.44Å | ||
| 307 | K | 85.4 | Confident | 77 | Confident | 95 Ų | 95 | 58.4 Ų | 58.4 | 41% | 0.413 | 32% | 0.32 | S | S | . | . | trans | -115 | 160.1 | 168.6 | -74.4 | -172.5 | 171.3 | -175.2 | 0 | 108.7 | S295 E297 Q299 R305 | S295-K307 WeakPolarHBondContact OG-CA 3.42Å; E297-K307 PolarHBondContact O-NZ 3.3Å; Q299-K307 PolarHBondContact O-NZ 3.16Å; R305-K307 PolarHBondContact O-N 3.28Å | ||
| 308 | I | 92.6 | Very high | 77.9 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 5% | 0.051 | 32% | 0.315 | C | S | . | . | trans | -114.4 | 165.2 | 168.5 | 51.8 | 173.4 | 0 | 0 | 0 | 109.6 | V231 I232 D235 L291 Y292 S295 V312 L316 | V231-I308 HydrophobicContact CG1-CD1 4.1Å; V231-I308 HydrophobicContact CG1-CG2 4.02Å; I232-I308 HydrophobicContact CG1-CG2 4.31Å; D235-I308 HydrophobicContact CB-CB 4.08Å; D235-I308 HydrophobicContact CB-CG2 3.81Å; D235-I308 VanDerWaalsContact OD2-CA 3.29Å; D235-I308 WeakPolarHBondContact OD2-CA 3.49Å; L291-I308 HydrophobicContact CD1-CG2 4.24Å; Y292-I308 HydrophobicContact CD1-CD1 4.02Å; S295-I308 WeakPolarHBondContact CB-O 3.34Å; S295-I308 WeakPolarHBondContact OG-CG1 3.38Å; S295-I308 PolarHBondContact OG-N 2.71Å; I308-V312 HydrophobicContact CD1-CG1 4.24Å; I308-L316 HydrophobicContact CD1-CD1 3.74Å | ||
| 309 | S | 92.2 | Very high | 79.6 | Confident | 23 Ų | 23 | 51.8 Ų | 51.8 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | trans | -62.9 | 151.8 | 176.1 | 74.5 | 0 | 0 | 0 | 0 | 112.4 | D235 V312 S313 | D235-S309 WeakPolarHBondContact OD1-CB 3.17Å; D235-S309 PolarHBondContact OD1-N 2.67Å; D235-S309 PolarHBondContact OD1-OG 3.48Å; D235-S309 PolarHBondContact OD2-N 3Å; S309-V312 PolarHBondContact O-N 3.05Å; S309-V312 WeakPolarHBondContact OG-CG2 3.35Å; S309-S313 PolarHBondContact O-N 3.24Å | ||
| 310 | L | 91.3 | Very high | 81.6 | Confident | 26 Ų | 26 | 49 Ų | 49 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 178.8 | 173.7 | 61.7 | 0 | 0 | 0 | 113.6 | L296 V312 S313 L314 M484 | L296-L310 HydrophobicContact CD2-CD1 3.82Å; L310-V312 VanDerWaalsContact C-N 3.35Å; L310-V312 PolarHBondContact O-N 3.02Å; L310-S313 PolarHBondContact O-N 2.58Å; L310-L314 HydrophobicContact CD1-CD1 3.78Å; L310-L314 HydrophobicContact CD1-CD2 4.49Å; L310-L314 HydrophobicContact CD1-CG 3.85Å; L310-L314 HydrophobicContact CG-CD1 3.99Å; L310-L314 HydrophobicContact CG-CG 4.49Å; L310-L314 WeakPolarHBondContact O-CG 3.27Å; L310-L314 PolarHBondContact O-N 2.86Å; L310-M484 HydrophobicContact CD1-CE 3.34Å; L310-M484 HydrophobicContact CD1-SD 3.56Å; L310-M484 VanDerWaalsContact CD1-SD 3.56Å; L310-M484 HydrophobicContact CD2-SD 3.66Å; L310-M484 HydrophobicContact CG-SD 4.27Å |
| 311 | P | 92.1 | Very high | 83.8 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.9 | -45.5 | 175 | -23.8 | 32.8 | 0 | 0 | 0 | 112.8 | L314 Y315 Y496 F500 | P311-L314 PolarHBondContact O-N 2.66Å; P311-Y315 VanDerWaalsContact O-CB 3.25Å; P311-Y315 WeakPolarHBondContact O-CB 3.45Å; P311-Y315 PolarHBondContact O-N 2.67Å; P311-Y496 HydrophobicContact CB-CE1 4.06Å; P311-Y496 HydrophobicContact CB-CE2 4.33Å; P311-Y496 HydrophobicContact CG-CD1 4.1Å; P311-Y496 HydrophobicContact CG-CE1 3.4Å; P311-F500 HydrophobicContact CB-CD2 4.07Å; P311-F500 HydrophobicContact CB-CE2 3.93Å |
| 312 | V | 94.9 | Very high | 86 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.1 | -38.8 | -179.3 | 175.6 | 0 | 0 | 0 | 0 | 111 | L234 D235 V238 I308 S309 L310 Y315 L316 L638 | L234-V312 HydrophobicContact CD2-CG1 3.78Å; L234-V312 HydrophobicContact CD2-CG2 4.2Å; D235-V312 HydrophobicContact CB-CG1 4.28Å; D235-V312 VanDerWaalsContact OD1-CB 3.27Å; D235-V312 WeakPolarHBondContact OD1-CB 3.5Å; D235-V312 WeakPolarHBondContact OD1-CG2 3.49Å; V238-V312 HydrophobicContact CB-CG2 4.09Å; V238-V312 HydrophobicContact CG1-CG2 4.12Å; V238-V312 HydrophobicContact CG2-CG2 3.92Å; I308-V312 HydrophobicContact CD1-CG1 4.24Å; S309-V312 PolarHBondContact O-N 3.05Å; S309-V312 WeakPolarHBondContact OG-CG2 3.35Å; L310-V312 VanDerWaalsContact C-N 3.35Å; L310-V312 PolarHBondContact O-N 3.02Å; V312-Y315 PolarHBondContact O-N 3.04Å; V312-L316 HydrophobicContact CG1-CD1 3.65Å; V312-L316 HydrophobicContact CG1-CG 4.14Å; V312-L316 WeakPolarHBondContact O-CB 3.3Å; V312-L316 WeakPolarHBondContact O-CD1 3.3Å; V312-L316 WeakPolarHBondContact O-CG 3.49Å; V312-L316 PolarHBondContact O-N 3.23Å; V312-L638 HydrophobicContact CG2-CD2 4.01Å |
| 313 | S | 95.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -49.8 | 173.5 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | Y292 L296 S309 L310 Y315 L316 L317 | Y292-S313 PolarHBondContact O-OG 3.27Å; L296-S313 WeakPolarHBondContact CD2-OG 3.42Å; S309-S313 PolarHBondContact O-N 3.24Å; L310-S313 PolarHBondContact O-N 2.58Å; S313-Y315 VanDerWaalsContact C-N 3.31Å; S313-Y315 PolarHBondContact O-N 2.87Å; S313-L316 PolarHBondContact O-N 3.03Å; S313-L317 WeakPolarHBondContact O-CB 3.47Å; S313-L317 WeakPolarHBondContact O-CG 3.2Å; S313-L317 PolarHBondContact O-N 2.97Å |
| 314 | L | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 177.8 | -69 | 169.1 | 0 | 0 | 0 | 111.8 | L296 L310 P311 S318 V485 F500 V501 L504 | L296-L314 HydrophobicContact CD2-CD2 3.81Å; L296-L314 HydrophobicContact CD2-CG 4.09Å; L310-L314 HydrophobicContact CD1-CD1 3.78Å; L310-L314 HydrophobicContact CD1-CD2 4.49Å; L310-L314 HydrophobicContact CD1-CG 3.85Å; L310-L314 HydrophobicContact CG-CD1 3.99Å; L310-L314 HydrophobicContact CG-CG 4.49Å; L310-L314 WeakPolarHBondContact O-CG 3.27Å; L310-L314 PolarHBondContact O-N 2.86Å; P311-L314 PolarHBondContact O-N 2.66Å; L314-S318 WeakPolarHBondContact O-CB 3.47Å; L314-S318 PolarHBondContact O-N 3.17Å; L314-S318 PolarHBondContact O-OG 3.41Å; L314-V485 HydrophobicContact CD2-CG2 4.04Å; L314-F500 HydrophobicContact CB-CB 3.53Å; L314-F500 HydrophobicContact CB-CG 4.5Å; L314-F500 HydrophobicContact CD1-CB 4.18Å; L314-V501 HydrophobicContact CD1-CG2 3.87Å; L314-V501 HydrophobicContact CD2-CG2 4.2Å; L314-L504 HydrophobicContact CD2-CD2 3.99Å |
| 315 | Y | 96.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.6 | -52.1 | 174.5 | 175 | -97.7 | 0 | 0 | 0 | 112 | V254 P311 V312 S313 L317 S318 Q319 F500 M632 I637 L638 | V254-Y315 VanDerWaalsContact CG1-OH 3.23Å; V254-Y315 WeakPolarHBondContact CG1-OH 3.31Å; V254-Y315 HydrophobicContact CG2-CE1 4.45Å; P311-Y315 VanDerWaalsContact O-CB 3.25Å; P311-Y315 WeakPolarHBondContact O-CB 3.45Å; P311-Y315 PolarHBondContact O-N 2.67Å; V312-Y315 PolarHBondContact O-N 3.04Å; S313-Y315 VanDerWaalsContact C-N 3.31Å; S313-Y315 PolarHBondContact O-N 2.87Å; Y315-L317 PolarHBondContact O-N 3.22Å; Y315-S318 WeakPolarHBondContact O-CB 3.23Å; Y315-S318 PolarHBondContact O-N 2.85Å; Y315-S318 VanDerWaalsContact O-N 3.16Å; Y315-Q319 HydrophobicContact CD1-CG 4.38Å; Y315-Q319 HydrophobicContact CE1-CG 4.05Å; Y315-Q319 VanDerWaalsContact CZ-NE2 3.27Å; Y315-Q319 WeakPolarHBondContact O-CG 3.42Å; Y315-Q319 PolarHBondContact O-N 3.39Å; Y315-Q319 PolarHBondContact OH-NE2 3.44Å; Y315-F500 HydrophobicContact CD2-CD1 4.09Å; Y315-F500 AromaticContact CD2-CE1 3.68Å; Y315-F500 HydrophobicContact CD2-CE1 3.68Å; Y315-F500 HydrophobicContact CG-CE1 4.31Å; Y315-M632 HydrophobicContact CD2-CE 3.24Å; Y315-M632 HydrophobicContact CD2-SD 3.97Å; Y315-M632 HydrophobicContact CE2-CE 3.49Å; Y315-M632 VanDerWaalsContact CE2-CE 3.49Å; Y315-M632 VanDerWaalsContact CE2-O 3.23Å; Y315-M632 WeakPolarHBondContact CE2-O 3.42Å; Y315-M632 HydrophobicContact CE2-SD 4.17Å; Y315-M632 HydrophobicContact CG-CE 3.95Å; Y315-M632 WeakPolarHBondContact O-CE 3.33Å; Y315-M632 PolarHBondContact OH-O 3.34Å; Y315-I637 HydrophobicContact CE2-CD1 4.47Å; Y315-L638 HydrophobicContact CD1-CD1 3.91Å; Y315-L638 HydrophobicContact CD1-CD2 4.06Å; Y315-L638 HydrophobicContact CD1-CG 4.33Å; Y315-L638 HydrophobicContact CD2-CD1 4.39Å; Y315-L638 HydrophobicContact CD2-CD2 3.98Å; Y315-L638 HydrophobicContact CD2-CG 4.07Å; Y315-L638 HydrophobicContact CE1-CD1 3.82Å; Y315-L638 HydrophobicContact CE2-CD1 4.29Å; Y315-L638 HydrophobicContact CE2-CG 4.25Å; Y315-L638 HydrophobicContact CG-CD1 4.21Å; Y315-L638 HydrophobicContact CG-CD2 3.66Å; Y315-L638 HydrophobicContact CG-CG 4.1Å |
| 316 | L | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.3 | -39.3 | -178 | -66.5 | 168.6 | 0 | 0 | 0 | 112.2 | V231 H257 Y292 I308 V312 S313 S318 Q319 V320 | V231-L316 HydrophobicContact CB-CD1 4.29Å; V231-L316 HydrophobicContact CG1-CD1 3.44Å; V231-L316 VanDerWaalsContact CG1-CD1 3.44Å; V231-L316 HydrophobicContact CG2-CD1 3.85Å; V231-L316 HydrophobicContact CG2-CD2 4.06Å; H257-L316 VanDerWaalsContact NE2-CD2 3.29Å; H257-L316 WeakPolarHBondContact NE2-CD2 3.4Å; Y292-L316 HydrophobicContact CD1-CD1 4.14Å; Y292-L316 HydrophobicContact CD2-CB 4.06Å; Y292-L316 HydrophobicContact CE1-CD1 3.9Å; Y292-L316 HydrophobicContact CE2-CB 3.99Å; Y292-L316 HydrophobicContact CG-CB 4.41Å; I308-L316 HydrophobicContact CD1-CD1 3.74Å; V312-L316 HydrophobicContact CG1-CD1 3.65Å; V312-L316 HydrophobicContact CG1-CG 4.14Å; V312-L316 WeakPolarHBondContact O-CB 3.3Å; V312-L316 WeakPolarHBondContact O-CD1 3.3Å; V312-L316 WeakPolarHBondContact O-CG 3.49Å; V312-L316 PolarHBondContact O-N 3.23Å; S313-L316 PolarHBondContact O-N 3.03Å; L316-S318 VanDerWaalsContact C-N 3.33Å; L316-Q319 PolarHBondContact O-N 3.29Å; L316-V320 WeakPolarHBondContact O-CG2 3.06Å; L316-V320 PolarHBondContact O-N 2.9Å |
| 317 | L | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.1 | -40.7 | 172.9 | -70.5 | 171.7 | 0 | 0 | 0 | 111.5 | Y292 V293 L296 S313 Y315 Q319 V320 F321 L333 I337 L504 | Y292-L317 HydrophobicContact CD2-CD2 4.15Å; V293-L317 HydrophobicContact CG2-CD1 4.35Å; V293-L317 HydrophobicContact CG2-CD2 4.03Å; L296-L317 HydrophobicContact CD1-CD1 3.78Å; L296-L317 HydrophobicContact CD2-CD1 4.18Å; L296-L317 HydrophobicContact CG-CD1 4.21Å; S313-L317 WeakPolarHBondContact O-CB 3.47Å; S313-L317 WeakPolarHBondContact O-CG 3.2Å; S313-L317 PolarHBondContact O-N 2.97Å; Y315-L317 PolarHBondContact O-N 3.22Å; L317-Q319 VanDerWaalsContact C-N 3.34Å; L317-Q319 PolarHBondContact O-N 2.94Å; L317-V320 PolarHBondContact O-N 3.4Å; L317-F321 VanDerWaalsContact O-CD2 3.23Å; L317-F321 WeakPolarHBondContact O-CD2 3.34Å; L317-F321 PolarHBondContact O-N 3.25Å; L317-L333 HydrophobicContact CD2-CD1 4.26Å; L317-L333 HydrophobicContact CD2-CD2 4.21Å; L317-I337 HydrophobicContact CD1-CD1 4.23Å; L317-I337 HydrophobicContact CD2-CD1 4.1Å; L317-L504 HydrophobicContact CB-CD1 3.89Å |
| 318 | S | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.4 | -43.1 | 173.7 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | L314 Y315 L316 F321 L322 F500 L504 M632 | L314-S318 WeakPolarHBondContact O-CB 3.47Å; L314-S318 PolarHBondContact O-N 3.17Å; L314-S318 PolarHBondContact O-OG 3.41Å; Y315-S318 WeakPolarHBondContact O-CB 3.23Å; Y315-S318 PolarHBondContact O-N 2.85Å; Y315-S318 VanDerWaalsContact O-N 3.16Å; L316-S318 VanDerWaalsContact C-N 3.33Å; S318-F321 PolarHBondContact O-N 2.83Å; S318-L322 WeakPolarHBondContact O-CG 3.43Å; S318-L322 PolarHBondContact O-N 2.99Å; S318-F500 PolarHBondContact OG-O 3.34Å; S318-L504 VanDerWaalsContact OG-CA 3.25Å; S318-L504 WeakPolarHBondContact OG-CA 3.2Å; S318-L504 WeakPolarHBondContact OG-CB 3.4Å; S318-L504 PolarHBondContact OG-N 3.26Å; S318-L504 VanDerWaalsContact OG-N 3.09Å; S318-M632 VanDerWaalsContact CB-CE 3.49Å |
| 319 | Q | 96.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 15.3 Ų | 15.3 | 2% | 0.019 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 175.9 | -63.5 | -67.8 | 18.6 | 0 | 0 | 112.4 | L258 L261 Y315 L316 L317 F321 L322 I323 M632 | L258-Q319 HydrophobicContact CD2-CG 4.44Å; L261-Q319 HydrophobicContact CD1-CB 3.57Å; Y315-Q319 HydrophobicContact CD1-CG 4.38Å; Y315-Q319 HydrophobicContact CE1-CG 4.05Å; Y315-Q319 VanDerWaalsContact CZ-NE2 3.27Å; Y315-Q319 WeakPolarHBondContact O-CG 3.42Å; Y315-Q319 PolarHBondContact O-N 3.39Å; Y315-Q319 PolarHBondContact OH-NE2 3.44Å; L316-Q319 PolarHBondContact O-N 3.29Å; L317-Q319 VanDerWaalsContact C-N 3.34Å; L317-Q319 PolarHBondContact O-N 2.94Å; Q319-F321 VanDerWaalsContact C-N 3.32Å; Q319-F321 PolarHBondContact O-N 3.32Å; Q319-L322 PolarHBondContact O-N 3.15Å; Q319-I323 WeakPolarHBondContact O-CB 3.18Å; Q319-I323 WeakPolarHBondContact O-CG1 3.49Å; Q319-I323 PolarHBondContact O-N 3.13Å; Q319-M632 HydrophobicContact CG-CE 3.87Å; Q319-M632 PolarHBondContact NE2-O 3.46Å |
| 320 | V | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.3 | -44.4 | 176 | 169 | 0 | 0 | 0 | 0 | 110.8 | L261 F288 Y292 L316 L317 I324 L333 | L261-V320 HydrophobicContact CD1-CG2 4.39Å; L261-V320 HydrophobicContact CD2-CG2 3.99Å; F288-V320 HydrophobicContact CD1-CG2 4.31Å; F288-V320 HydrophobicContact CD2-CG1 4.27Å; F288-V320 HydrophobicContact CE1-CG2 3.71Å; F288-V320 HydrophobicContact CE2-CG1 3.78Å; F288-V320 HydrophobicContact CE2-CG2 4.18Å; F288-V320 HydrophobicContact CZ-CG1 4.05Å; F288-V320 HydrophobicContact CZ-CG2 3.63Å; Y292-V320 HydrophobicContact CE2-CG2 4.24Å; L316-V320 WeakPolarHBondContact O-CG2 3.06Å; L316-V320 PolarHBondContact O-N 2.9Å; L317-V320 PolarHBondContact O-N 3.4Å; V320-I324 HydrophobicContact CG1-CD1 4.44Å; V320-I324 WeakPolarHBondContact O-CB 3.34Å; V320-I324 PolarHBondContact O-N 3.16Å; V320-L333 HydrophobicContact CG1-CD2 3.65Å |
| 321 | F | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -77.7 | -16.9 | 177.8 | -72.9 | -65.5 | 0 | 0 | 0 | 114.9 | L317 S318 Q319 V330 L333 A334 I337 L504 A507 M508 N511 I514 | L317-F321 VanDerWaalsContact O-CD2 3.23Å; L317-F321 WeakPolarHBondContact O-CD2 3.34Å; L317-F321 PolarHBondContact O-N 3.25Å; S318-F321 PolarHBondContact O-N 2.83Å; Q319-F321 VanDerWaalsContact C-N 3.32Å; Q319-F321 PolarHBondContact O-N 3.32Å; F321-V330 HydrophobicContact CD1-CB 4.22Å; F321-V330 HydrophobicContact CD1-CG1 4.27Å; F321-V330 HydrophobicContact CE1-CB 3.97Å; F321-V330 HydrophobicContact CE1-CG1 4.39Å; F321-L333 HydrophobicContact CE1-CD2 4.44Å; F321-L333 HydrophobicContact CE2-CD2 4.03Å; F321-L333 HydrophobicContact CE2-CG 4.2Å; F321-L333 HydrophobicContact CZ-CB 4.15Å; F321-L333 HydrophobicContact CZ-CD2 3.86Å; F321-L333 HydrophobicContact CZ-CG 3.8Å; F321-A334 HydrophobicContact CE1-CB 4.18Å; F321-A334 HydrophobicContact CZ-CB 4.05Å; F321-I337 HydrophobicContact CE2-CD1 3.83Å; F321-I337 HydrophobicContact CZ-CD1 4.19Å; F321-L504 HydrophobicContact CD2-CD1 3.63Å; F321-L504 HydrophobicContact CE2-CD1 4.05Å; F321-A507 HydrophobicContact CB-CB 3.61Å; F321-M508 HydrophobicContact CB-CG 4.27Å; F321-M508 HydrophobicContact CD1-CG 4.08Å; F321-M508 HydrophobicContact CD2-CG 3.61Å; F321-M508 HydrophobicContact CD2-SD 4.27Å; F321-M508 HydrophobicContact CE1-CG 4.27Å; F321-M508 HydrophobicContact CE2-CE 4.29Å; F321-M508 HydrophobicContact CE2-CG 3.84Å; F321-M508 HydrophobicContact CE2-SD 4.02Å; F321-M508 HydrophobicContact CG-CG 3.74Å; F321-M508 HydrophobicContact CZ-CE 4.14Å; F321-M508 HydrophobicContact CZ-CG 4.16Å; F321-M508 HydrophobicContact CZ-SD 4.43Å; F321-N511 PolarHBondContact O-ND2 2.6Å; F321-I514 HydrophobicContact CD1-CD1 3.79Å; F321-I514 HydrophobicContact CE1-CD1 3.72Å |
| 322 | L | 95.6 | Very high | 95.1 | Very high | 22 Ų | 22 | 15.6 Ų | 15.6 | 12% | 0.115 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -82.3 | -38.7 | 170.5 | -73.7 | 173.1 | 0 | 0 | 0 | 112.2 | S318 Q319 H325 Y506 A507 E629 M632 | S318-L322 WeakPolarHBondContact O-CG 3.43Å; S318-L322 PolarHBondContact O-N 2.99Å; Q319-L322 PolarHBondContact O-N 3.15Å; L322-H325 PolarHBondContact O-CE1 2.86Å; L322-H325 VanDerWaalsContact O-CE1 3.3Å; L322-Y506 HydrophobicContact CD2-CD1 4.27Å; L322-Y506 HydrophobicContact CD2-CE1 4.3Å; L322-A507 HydrophobicContact CD2-CB 3.86Å; L322-A507 HydrophobicContact CG-CB 3.72Å; L322-E629 HydrophobicContact CD2-CG 4.45Å; L322-M632 HydrophobicContact CD1-CB 4.03Å; L322-M632 HydrophobicContact CD1-CG 3.77Å |
| 323 | I | 96.7 | Very high | 94.9 | Very high | 19 Ų | 19 | 15.6 Ų | 15.6 | 10% | 0.097 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -92.5 | -51 | -171.2 | -63 | 169.8 | 0 | 0 | 0 | 111.5 | L258 L261 N265 Q319 H325 | L258-I323 HydrophobicContact CD2-CD1 3.7Å; L261-I323 HydrophobicContact CB-CD1 3.87Å; L261-I323 HydrophobicContact CB-CG2 4.26Å; L261-I323 HydrophobicContact CD1-CD1 3.92Å; N265-I323 HydrophobicContact CB-CG2 4.13Å; N265-I323 PolarHBondContact OD1-O 2.81Å; Q319-I323 WeakPolarHBondContact O-CB 3.18Å; Q319-I323 WeakPolarHBondContact O-CG1 3.49Å; Q319-I323 PolarHBondContact O-N 3.13Å; I323-H325 PolarHBondContact O-ND1 2.95Å |
| 324 | I | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -87 | 123 | -169.6 | -59.5 | -178 | 0 | 0 | 0 | 110.4 | L261 N265 L268 F288 V320 H326 L329 V330 N511 | L261-I324 HydrophobicContact CD2-CD1 4.31Å; N265-I324 HydrophobicContact CB-CG1 4.29Å; N265-I324 WeakPolarHBondContact OD1-CA 3.44Å; L268-I324 HydrophobicContact CD1-CG2 3.78Å; F288-I324 HydrophobicContact CE2-CD1 4.44Å; F288-I324 HydrophobicContact CZ-CD1 4.17Å; V320-I324 HydrophobicContact CG1-CD1 4.44Å; V320-I324 WeakPolarHBondContact O-CB 3.34Å; V320-I324 PolarHBondContact O-N 3.16Å; I324-H326 HydrophobicContact CG2-CB 4.29Å; I324-L329 HydrophobicContact CG2-CD2 3.91Å; I324-V330 HydrophobicContact CG2-CG1 4.36Å; I324-V330 VanDerWaalsContact O-CG1 3.29Å; I324-V330 WeakPolarHBondContact O-CG1 3.44Å; I324-N511 PolarHBondContact O-ND2 3.41Å | ||
| 325 | H | 94.5 | Very high | 94.2 | Very high | 75 Ų | 75 | 20.1 Ų | 20.1 | 35% | 0.347 | 11% | 0.114 | S | C | . | . | trans | -112.4 | 9.1 | -176.6 | -75 | 78.6 | 0 | 0 | 0 | 113.8 | L322 I323 A327 | L322-H325 PolarHBondContact O-CE1 2.86Å; L322-H325 VanDerWaalsContact O-CE1 3.3Å; I323-H325 PolarHBondContact O-ND1 2.95Å; H325-A327 PolarHBondContact O-N 3.46Å | ||
| 326 | H | 95.8 | Very high | 93.7 | Very high | 33 Ų | 33 | 21.3 Ų | 21.3 | 15% | 0.153 | 12% | 0.121 | C | C | . | . | trans | -75.9 | 106.5 | -177.5 | -176 | 61.4 | 0 | 0 | 0 | 111.6 | L268 N276 I324 L329 V330 | L268-H326 HydrophobicContact CB-CB 4.03Å; L268-H326 HydrophobicContact CD1-CB 3.89Å; L268-H326 HydrophobicContact CD2-CB 4.35Å; L268-H326 HydrophobicContact CG-CB 4.3Å; N276-H326 PolarHBondContact ND2-CE1 2.95Å; I324-H326 HydrophobicContact CG2-CB 4.29Å; H326-L329 PolarHBondContact O-N 2.93Å; H326-L329 VanDerWaalsContact O-N 3.09Å; H326-V330 PolarHBondContact O-N 3.42Å; H326-V330 VanDerWaalsContact O-N 3.16Å | ||
| 327 | A | 93.7 | Very high | 93.1 | Very high | 37 Ų | 37 | 21.4 Ų | 21.4 | 31% | 0.306 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -49.9 | -51.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H325 L329 V330 N331 G513 | H325-A327 PolarHBondContact O-N 3.46Å; A327-L329 VanDerWaalsContact C-N 3.3Å; A327-L329 PolarHBondContact O-N 3.32Å; A327-V330 PolarHBondContact O-N 2.99Å; A327-N331 WeakPolarHBondContact O-CB 3.45Å; A327-N331 PolarHBondContact O-N 3.33Å; A327-N331 PolarHBondContact O-ND2 3.06Å; A327-N331 VanDerWaalsContact O-ND2 3.13Å; A327-G513 VanDerWaalsContact CA-O 3.23Å; A327-G513 WeakPolarHBondContact CA-O 3.4Å; A327-G513 WeakPolarHBondContact CB-O 3.44Å |
| 328 | P | 93.3 | Very high | 92.2 | Very high | 72 Ų | 72 | 21.9 Ų | 21.9 | 47% | 0.468 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -53.9 | -43.1 | 178.6 | -27.1 | 35.1 | 0 | 0 | 0 | 114 | S332 | P328-S332 WeakPolarHBondContact O-CB 3.41Å; P328-S332 PolarHBondContact O-N 3.12Å; P328-S332 VanDerWaalsContact O-N 3.14Å; P328-S332 PolarHBondContact O-OG 3.33Å |
| 329 | L | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.7 | -48.8 | -178 | 173.2 | 56.4 | 0 | 0 | 0 | 111.8 | L268 T280 L283 L284 F288 I324 H326 A327 L333 | L268-L329 HydrophobicContact CD1-CD2 3.76Å; T280-L329 HydrophobicContact CG2-CB 4.01Å; T280-L329 HydrophobicContact CG2-CD1 4.12Å; L283-L329 HydrophobicContact CB-CD1 4.18Å; L283-L329 HydrophobicContact CD1-CD2 3.7Å; L284-L329 HydrophobicContact CD1-CD1 4.33Å; L284-L329 HydrophobicContact CD2-CD1 3.78Å; L284-L329 HydrophobicContact CG-CD1 3.67Å; F288-L329 HydrophobicContact CD2-CD1 4.01Å; F288-L329 HydrophobicContact CE2-CD1 3.99Å; F288-L329 HydrophobicContact CE2-CD2 4.3Å; F288-L329 HydrophobicContact CE2-CG 4.42Å; I324-L329 HydrophobicContact CG2-CD2 3.91Å; H326-L329 PolarHBondContact O-N 2.93Å; H326-L329 VanDerWaalsContact O-N 3.09Å; A327-L329 VanDerWaalsContact C-N 3.3Å; A327-L329 PolarHBondContact O-N 3.32Å; L329-L333 WeakPolarHBondContact O-CB 3.29Å; L329-L333 PolarHBondContact O-N 3.06Å |
| 330 | V | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.8 | -36.1 | -179.6 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | F321 I324 H326 A327 L333 A334 G513 I514 | F321-V330 HydrophobicContact CD1-CB 4.22Å; F321-V330 HydrophobicContact CD1-CG1 4.27Å; F321-V330 HydrophobicContact CE1-CB 3.97Å; F321-V330 HydrophobicContact CE1-CG1 4.39Å; I324-V330 HydrophobicContact CG2-CG1 4.36Å; I324-V330 VanDerWaalsContact O-CG1 3.29Å; I324-V330 WeakPolarHBondContact O-CG1 3.44Å; H326-V330 PolarHBondContact O-N 3.42Å; H326-V330 VanDerWaalsContact O-N 3.16Å; A327-V330 PolarHBondContact O-N 2.99Å; V330-L333 PolarHBondContact O-N 2.92Å; V330-A334 WeakPolarHBondContact O-CB 3.35Å; V330-A334 PolarHBondContact O-N 3.28Å; V330-G513 VanDerWaalsContact CG2-C 3.5Å; V330-G513 WeakPolarHBondContact CG2-O 3Å; V330-I514 HydrophobicContact CB-CG1 4.08Å; V330-I514 HydrophobicContact CG2-CG1 3.8Å |
| 331 | N | 91.1 | Very high | 88.2 | Confident | 11 Ų | 11 | 28.7 Ų | 28.7 | 6% | 0.059 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.4 | -34.6 | 177.7 | -81.9 | -42.7 | 0 | 0 | 0 | 113.2 | A327 E335 G513 I514 D515 K518 | A327-N331 WeakPolarHBondContact O-CB 3.45Å; A327-N331 PolarHBondContact O-N 3.33Å; A327-N331 PolarHBondContact O-ND2 3.06Å; A327-N331 VanDerWaalsContact O-ND2 3.13Å; N331-E335 WeakPolarHBondContact O-CB 3.43Å; N331-E335 PolarHBondContact O-N 3.27Å; N331-E335 VanDerWaalsContact O-N 3.16Å; N331-G513 PolarHBondContact ND2-O 3.29Å; N331-I514 WeakPolarHBondContact OD1-CA 3.36Å; N331-D515 VanDerWaalsContact CG-CG 3.4Å; N331-D515 PolarHBondContact ND2-OD1 2.67Å; N331-D515 PolarHBondContact ND2-OD2 2.65Å; N331-D515 VanDerWaalsContact ND2-OD2 3.15Å; N331-D515 VanDerWaalsContact OD1-CG 3.3Å; N331-D515 PolarHBondContact OD1-N 2.89Å; N331-D515 PolarHBondContact OD1-OD2 2.86Å; N331-K518 HydrophobicContact CB-CD 4.31Å; N331-K518 PolarHBondContact O-NZ 3.21Å |
| 332 | S | 90.4 | Very high | 86.4 | Confident | 53 Ų | 53 | 30.5 Ų | 30.5 | 37% | 0.371 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -76.3 | -37.4 | 172.6 | -71 | 0 | 0 | 0 | 0 | 112.4 | P328 E335 V336 | P328-S332 WeakPolarHBondContact O-CB 3.41Å; P328-S332 PolarHBondContact O-N 3.12Å; P328-S332 VanDerWaalsContact O-N 3.14Å; P328-S332 PolarHBondContact O-OG 3.33Å; S332-E335 PolarHBondContact O-N 2.69Å; S332-V336 WeakPolarHBondContact O-CG2 3.18Å; S332-V336 PolarHBondContact O-N 3.23Å |
| 333 | L | 91.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.2 | -47.2 | 175.8 | -177.8 | 59.2 | 0 | 0 | 0 | 111.4 | L284 F288 L289 V293 L317 V320 F321 L329 V330 E335 V336 I337 | L284-L333 HydrophobicContact CD2-CB 4.03Å; L284-L333 HydrophobicContact CD2-CD1 4.5Å; F288-L333 HydrophobicContact CB-CD1 3.94Å; F288-L333 HydrophobicContact CB-CD2 4.47Å; F288-L333 HydrophobicContact CD2-CD2 4.08Å; L289-L333 HydrophobicContact CD2-CD1 3.83Å; V293-L333 HydrophobicContact CG2-CD1 3.69Å; L317-L333 HydrophobicContact CD2-CD1 4.26Å; L317-L333 HydrophobicContact CD2-CD2 4.21Å; V320-L333 HydrophobicContact CG1-CD2 3.65Å; F321-L333 HydrophobicContact CE1-CD2 4.44Å; F321-L333 HydrophobicContact CE2-CD2 4.03Å; F321-L333 HydrophobicContact CE2-CG 4.2Å; F321-L333 HydrophobicContact CZ-CB 4.15Å; F321-L333 HydrophobicContact CZ-CD2 3.86Å; F321-L333 HydrophobicContact CZ-CG 3.8Å; L329-L333 WeakPolarHBondContact O-CB 3.29Å; L329-L333 PolarHBondContact O-N 3.06Å; V330-L333 PolarHBondContact O-N 2.92Å; L333-E335 PolarHBondContact O-N 3.44Å; L333-V336 PolarHBondContact O-N 2.88Å; L333-I337 HydrophobicContact CD1-CD1 4.04Å; L333-I337 HydrophobicContact CG-CD1 3.94Å; L333-I337 WeakPolarHBondContact O-CG1 3.36Å; L333-I337 PolarHBondContact O-N 3.4Å; L333-I337 VanDerWaalsContact O-N 3.11Å |
| 334 | A | 88.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F321 V330 V336 I337 L338 M508 I514 | F321-A334 HydrophobicContact CE1-CB 4.18Å; F321-A334 HydrophobicContact CZ-CB 4.05Å; V330-A334 WeakPolarHBondContact O-CB 3.35Å; V330-A334 PolarHBondContact O-N 3.28Å; A334-V336 VanDerWaalsContact C-N 3.32Å; A334-V336 PolarHBondContact O-N 3.03Å; A334-I337 PolarHBondContact O-N 3.32Å; A334-L338 HydrophobicContact CB-CD1 4.19Å; A334-L338 VanDerWaalsContact O-CB 3.27Å; A334-L338 WeakPolarHBondContact O-CB 3.31Å; A334-L338 WeakPolarHBondContact O-CD1 3.46Å; A334-L338 WeakPolarHBondContact O-CG 3.26Å; A334-L338 PolarHBondContact O-N 2.87Å; A334-M508 HydrophobicContact CB-CE 3.89Å; A334-I514 HydrophobicContact CB-CD1 4.37Å |
| 335 | E | 86.3 | Confident | 80 | Confident | 95 Ų | 95 | 38.2 Ų | 38.2 | 44% | 0.444 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.7 | -37.8 | -179.3 | -176 | 165.7 | -176.1 | 0 | 0 | 113.3 | N331 S332 L333 N339 K518 | N331-E335 WeakPolarHBondContact O-CB 3.43Å; N331-E335 PolarHBondContact O-N 3.27Å; N331-E335 VanDerWaalsContact O-N 3.16Å; S332-E335 PolarHBondContact O-N 2.69Å; L333-E335 PolarHBondContact O-N 3.44Å; E335-N339 PolarHBondContact O-N 3.31Å; E335-K518 IonicContact OE2-NZ 3.89Å; E335-K518 PolarHBondContact OE2-NZ 2.66Å |
| 336 | V | 86 | Confident | 77.8 | Confident | 25 Ų | 25 | 40.5 Ų | 40.5 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.3 | -39.2 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | L289 V293 S332 L333 A334 L338 G340 F481 | L289-V336 HydrophobicContact CD1-CG2 4.24Å; L289-V336 HydrophobicContact CD2-CB 3.89Å; L289-V336 HydrophobicContact CD2-CG1 3.85Å; L289-V336 HydrophobicContact CD2-CG2 4.14Å; V293-V336 HydrophobicContact CG1-CG1 4.43Å; S332-V336 WeakPolarHBondContact O-CG2 3.18Å; S332-V336 PolarHBondContact O-N 3.23Å; L333-V336 PolarHBondContact O-N 2.88Å; A334-V336 VanDerWaalsContact C-N 3.32Å; A334-V336 PolarHBondContact O-N 3.03Å; V336-L338 VanDerWaalsContact C-N 3.26Å; V336-L338 PolarHBondContact O-N 3.3Å; V336-G340 VanDerWaalsContact O-CA 3.23Å; V336-G340 WeakPolarHBondContact O-CA 3.3Å; V336-G340 PolarHBondContact O-N 2.96Å; V336-F481 WeakPolarHBondContact O-CD2 3.37Å |
| 337 | I | 84.6 | Confident | 75 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.8 | -32.2 | 176.3 | -67.8 | 165.4 | 0 | 0 | 0 | 111.6 | V293 L317 F321 L333 A334 F481 L482 | V293-I337 HydrophobicContact CG1-CG1 4.03Å; V293-I337 HydrophobicContact CG2-CD1 3.96Å; V293-I337 HydrophobicContact CG2-CG1 3.63Å; L317-I337 HydrophobicContact CD1-CD1 4.23Å; L317-I337 HydrophobicContact CD2-CD1 4.1Å; F321-I337 HydrophobicContact CE2-CD1 3.83Å; F321-I337 HydrophobicContact CZ-CD1 4.19Å; L333-I337 HydrophobicContact CD1-CD1 4.04Å; L333-I337 HydrophobicContact CG-CD1 3.94Å; L333-I337 WeakPolarHBondContact O-CG1 3.36Å; L333-I337 PolarHBondContact O-N 3.4Å; L333-I337 VanDerWaalsContact O-N 3.11Å; A334-I337 PolarHBondContact O-N 3.32Å; I337-F481 WeakPolarHBondContact O-CB 3.23Å; I337-L482 PolarHBondContact O-N 3.49Å |
| 338 | L | 76.7 | Confident | 72.6 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -101.4 | -25.6 | -168.9 | -59.5 | 171.6 | 0 | 0 | 0 | 114.2 | A334 V336 R479 L482 M508 I522 | A334-L338 HydrophobicContact CB-CD1 4.19Å; A334-L338 VanDerWaalsContact O-CB 3.27Å; A334-L338 WeakPolarHBondContact O-CB 3.31Å; A334-L338 WeakPolarHBondContact O-CD1 3.46Å; A334-L338 WeakPolarHBondContact O-CG 3.26Å; A334-L338 PolarHBondContact O-N 2.87Å; V336-L338 VanDerWaalsContact C-N 3.26Å; V336-L338 PolarHBondContact O-N 3.3Å; L338-R479 WeakPolarHBondContact O-CD 3.35Å; L338-R479 PolarHBondContact O-NH1 3.44Å; L338-L482 HydrophobicContact CD2-CD1 3.91Å; L338-M508 HydrophobicContact CD1-CE 3.69Å; L338-M508 HydrophobicContact CD2-CE 4.14Å; L338-M508 HydrophobicContact CG-CE 4.08Å; L338-I522 HydrophobicContact CB-CD1 3.97Å; L338-I522 HydrophobicContact CB-CG1 4.09Å; L338-I522 HydrophobicContact CD1-CD1 3.58Å; L338-I522 HydrophobicContact CD1-CG1 3.97Å; L338-I522 HydrophobicContact CD2-CG1 4.2Å; L338-I522 HydrophobicContact CD2-CG2 4.3Å; L338-I522 HydrophobicContact CG-CD1 4.26Å; L338-I522 HydrophobicContact CG-CG1 4.3Å |
| 339 | N | 74.1 | Confident | 69.9 | Low | 71 Ų | 71 | 46.1 Ų | 46.1 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -135.9 | 0.9 | -178 | -48.6 | -73.7 | 0 | 0 | 0 | 113.9 | E335 D341 R479 | E335-N339 PolarHBondContact O-N 3.31Å; N339-D341 PolarHBondContact O-N 2.67Å; N339-R479 PolarHBondContact OD1-NH1 3.32Å; N339-R479 PolarHBondContact OD1-NH2 2.91Å |
| 340 | G | 70.5 | Confident | 67 | Low | 16 Ų | 16 | 54.8 Ų | 54.8 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | trans | -75.2 | 124 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | V336 P480 F481 | V336-G340 VanDerWaalsContact O-CA 3.23Å; V336-G340 WeakPolarHBondContact O-CA 3.3Å; V336-G340 PolarHBondContact O-N 2.96Å; G340-P480 WeakPolarHBondContact O-CD 3.29Å; G340-F481 WeakPolarHBondContact O-CE2 3.43Å | ||
| 341 | D | 62.3 | Low | 64.1 | Low | 61 Ų | 61 | 63.1 Ų | 63.1 | 33% | 0.326 | 33% | 0.334 | S | S | . | . | trans | -93.5 | 151.7 | 177.1 | 177.6 | 52.5 | 0 | 0 | 0 | 112.9 | N339 S343 S478 | N339-D341 PolarHBondContact O-N 2.67Å; D341-S343 PolarHBondContact O-N 3.11Å; D341-S343 WeakPolarHBondContact OD2-CB 3.44Å; D341-S343 PolarHBondContact OD2-N 3.3Å; D341-S478 PolarHBondContact OD1-OG 2.94Å | ||
| 342 | L | 57.8 | Low | 61.3 | Low | 38 Ų | 38 | 65.6 Ų | 65.6 | 20% | 0.199 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.8 | -179.7 | -58.2 | -179.8 | 0 | 0 | 0 | 113 | E297 E344 M345 Y346 P480 F481 | E297-L342 VanDerWaalsContact OE1-CD1 3.27Å; E297-L342 WeakPolarHBondContact OE1-CD1 3.46Å; L342-E344 PolarHBondContact O-N 3.42Å; L342-M345 HydrophobicContact CD2-SD 3.71Å; L342-M345 VanDerWaalsContact O-CB 3.29Å; L342-M345 WeakPolarHBondContact O-CB 3.27Å; L342-M345 PolarHBondContact O-N 2.8Å; L342-Y346 WeakPolarHBondContact O-CD2 3.46Å; L342-P480 HydrophobicContact CD1-CB 4.45Å; L342-P480 HydrophobicContact CD2-CB 3.97Å; L342-P480 HydrophobicContact CD2-CG 3.65Å; L342-P480 HydrophobicContact CG-CB 4.16Å; L342-P480 HydrophobicContact CG-CG 3.83Å; L342-F481 HydrophobicContact CD2-CZ 4.16Å |
| 343 | S | 51.4 | Low | 58.8 | Low | 75 Ų | 75 | 69.3 Ų | 69.3 | 52% | 0.524 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.9 | -35.2 | -177 | -168.4 | 0 | 0 | 0 | 0 | 112.6 | D341 M345 Y346 A347 | D341-S343 PolarHBondContact O-N 3.11Å; D341-S343 WeakPolarHBondContact OD2-CB 3.44Å; D341-S343 PolarHBondContact OD2-N 3.3Å; S343-M345 PolarHBondContact O-N 3.06Å; S343-Y346 PolarHBondContact O-N 2.99Å; S343-A347 VanDerWaalsContact O-CB 3.28Å; S343-A347 WeakPolarHBondContact O-CB 3.35Å; S343-A347 PolarHBondContact O-N 3.23Å |
| 344 | E | 52.4 | Low | 56.2 | Low | 109 Ų | 109 | 77.2 Ų | 77.2 | 51% | 0.509 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.9 | -26.1 | 174.3 | -73.9 | -146.8 | 148.4 | 0 | 0 | 113.8 | L342 R363 | L342-E344 PolarHBondContact O-N 3.42Å; E344-R363 IonicContact OE2-CZ 3.67Å; E344-R363 IonicContact OE2-NH1 2.75Å; E344-R363 PolarHBondContact OE2-NH1 2.89Å; E344-R363 IonicContact OE2-NH2 3.46Å; E344-R363 PolarHBondContact OE2-NH2 3.33Å |
| 345 | M | 50.4 | Low | 53.4 | Low | 19 Ų | 19 | 88 Ų | 88 | 9% | 0.094 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -78.1 | -28.2 | -176.6 | -62.2 | 170.1 | 53.8 | 0 | 0 | 112.9 | Y294 L342 S343 F481 | Y294-M345 HydrophobicContact CD1-CE 3.8Å; Y294-M345 HydrophobicContact CD1-CG 4.4Å; Y294-M345 HydrophobicContact CD1-SD 3.78Å; Y294-M345 HydrophobicContact CD2-CE 3.89Å; Y294-M345 HydrophobicContact CE1-CE 4.17Å; Y294-M345 HydrophobicContact CE1-CG 3.8Å; Y294-M345 HydrophobicContact CE1-SD 3.69Å; Y294-M345 HydrophobicContact CE2-CE 4.27Å; Y294-M345 HydrophobicContact CE2-CG 4.1Å; Y294-M345 HydrophobicContact CG-CE 3.67Å; Y294-M345 HydrophobicContact CG-SD 4.28Å; L342-M345 HydrophobicContact CD2-SD 3.71Å; L342-M345 VanDerWaalsContact O-CB 3.29Å; L342-M345 WeakPolarHBondContact O-CB 3.27Å; L342-M345 PolarHBondContact O-N 2.8Å; S343-M345 PolarHBondContact O-N 3.06Å; M345-F481 HydrophobicContact SD-CZ 3.85Å |
| 346 | Y | 48.4 | Very low | 50.9 | Low | 122 Ų | 122 | 89.1 Ų | 89.1 | 48% | 0.478 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -105.2 | -39.2 | -174.1 | -68.3 | -81.6 | 0 | 0 | 0 | 112.9 | L342 S343 K348 T349 | L342-Y346 WeakPolarHBondContact O-CD2 3.46Å; S343-Y346 PolarHBondContact O-N 2.99Å; Y346-K348 PolarHBondContact O-N 2.7Å; Y346-T349 WeakPolarHBondContact O-CB 3.27Å; Y346-T349 PolarHBondContact O-N 2.95Å; Y346-T349 PolarHBondContact O-OG1 3.2Å |
| 347 | A | 38.3 | Very low | 48.4 | Very low | 71 Ų | 71 | 93 Ų | 93 | 59% | 0.587 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -20.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S343 | S343-A347 VanDerWaalsContact O-CB 3.28Å; S343-A347 WeakPolarHBondContact O-CB 3.35Å; S343-A347 PolarHBondContact O-N 3.23Å |
| 348 | K | 42.1 | Very low | 46.1 | Very low | 102 Ų | 102 | 97.7 Ų | 97.7 | 44% | 0.443 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -5.2 | 178.3 | -70.7 | 176.3 | 178.4 | 168 | 0 | 114.6 | Y346 | Y346-K348 PolarHBondContact O-N 2.7Š|
| 349 | T | 37.6 | Very low | 43.9 | Very low | 88 Ų | 88 | 103.3 Ų | 103.3 | 54% | 0.54 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -86.1 | -34.5 | -168.6 | -41.8 | 0 | 0 | 0 | 0 | 113.6 | Y346 | Y346-T349 WeakPolarHBondContact O-CB 3.27Å; Y346-T349 PolarHBondContact O-N 2.95Å; Y346-T349 PolarHBondContact O-OG1 3.2Å |
| 350 | E | 33.1 | Very low | 42.2 | Very low | 182 Ų | 182 | 103.7 Ų | 103.7 | 85% | 0.85 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -95.8 | -18.7 | -165.1 | -61 | -168.3 | 149.5 | 0 | 0 | 115.5 | ||
| 351 | Q | 33.2 | Very low | 41.2 | Very low | 175 Ų | 175 | 105.6 Ų | 105.6 | 82% | 0.818 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -98.8 | -18.9 | -174.7 | -64.3 | -168.9 | 3.9 | 0 | 0 | 115.1 | V353 | Q351-V353 VanDerWaalsContact C-N 3.3Å; Q351-V353 PolarHBondContact O-N 3.41Å |
| 352 | D | 32.6 | Very low | 41.1 | Very low | 63 Ų | 63 | 107.9 Ų | 107.9 | 34% | 0.337 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | 18.9 | -163.5 | -153.6 | 39 | 0 | 0 | 0 | 115.3 | Q354 K359 | D352-Q354 VanDerWaalsContact C-N 3.32Å; D352-K359 IonicContact OD2-NZ 2.69Å; D352-K359 PolarHBondContact OD2-NZ 3.15Å |
| 353 | V | 38.3 | Very low | 41.9 | Very low | 131 Ų | 131 | 108.7 Ų | 108.7 | 79% | 0.794 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -23.5 | 172.6 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | Q351 | Q351-V353 VanDerWaalsContact C-N 3.3Å; Q351-V353 PolarHBondContact O-N 3.41Å |
| 354 | Q | 35.8 | Very low | 43.2 | Very low | 165 Ų | 165 | 106.3 Ų | 106.3 | 77% | 0.771 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -140.7 | 75.1 | -174.6 | -69.9 | -171.8 | -16.7 | 0 | 0 | 115.2 | D352 | D352-Q354 VanDerWaalsContact C-N 3.32Š|
| 355 | R | 29.7 | Very low | 44.8 | Very low | 227 Ų | 227 | 101.9 Ų | 101.9 | 86% | 0.857 | 55% | 0.546 | S | S | * | . | -174.8 | 152.1 | 129.3 | -99.4 | 149.6 | -170.5 | -176.1 | 3.8 | 113.2 | |||||
| 356 | S | 34.2 | Very low | 46.3 | Very low | 119 Ų | 119 | 106.3 Ų | 106.3 | 83% | 0.832 | 57% | 0.568 | S | S | * | * | trans | -118.6 | 82.5 | -171.5 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 357 | S | 32.6 | Very low | 48.1 | Very low | 106 Ų | 106 | 107.3 Ų | 107.3 | 74% | 0.741 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -169.1 | 129.6 | 158.7 | 56.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 358 | A | 36.9 | Very low | 50.4 | Low | 103 Ų | 103 | 105 Ų | 105 | 85% | 0.851 | 55% | 0.554 | S | S | * | * | trans | 53.3 | 71.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 359 | K | 31.2 | Very low | 52.3 | Low | 126 Ų | 126 | 107 Ų | 107 | 55% | 0.548 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -68.4 | 132.6 | 171 | -75.3 | -177.1 | 169.6 | -90 | 0 | 110.4 | D352 | D352-K359 IonicContact OD2-NZ 2.69Å; D352-K359 PolarHBondContact OD2-NZ 3.15Å |
| 360 | P | 36.6 | Very low | 54.4 | Low | 79 Ų | 79 | 105 Ų | 105 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -66.5 | 147 | 162 | 30.3 | -33.4 | 0 | 0 | 0 | 109.8 | I362 | P360-I362 PolarHBondContact O-N 3.33Š|
| 361 | S | 51.2 | Low | 57 | Low | 57 Ų | 57 | 100.3 Ų | 100.3 | 40% | 0.399 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -56 | 122.2 | 178.3 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | D281 R363 | D281-S361 PolarHBondContact OD1-OG 2.8Å; S361-R363 PolarHBondContact O-N 3.35Å |
| 362 | I | 58.9 | Low | 59.6 | Low | 109 Ų | 109 | 92.2 Ų | 92.2 | 56% | 0.559 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -72 | 117.6 | 172.5 | -54.5 | 175.9 | 0 | 0 | 0 | 106.7 | P360 C364 | P360-I362 PolarHBondContact O-N 3.33Å; I362-C364 HydrophobicContact CG2-CB 4.43Å; I362-C364 PolarHBondContact O-N 3.05Å; I362-C364 VanDerWaalsContact O-N 3.12Å; I362-C364 PolarHBondContact O-SG 3.2Å; I362-C364 VanDerWaalsContact O-SG 3.42Å |
| 363 | R | 76 | Confident | 62.2 | Low | 54 Ų | 54 | 93.9 Ų | 93.9 | 20% | 0.204 | 51% | 0.512 | C | S | . | . | trans | -76.2 | 97.5 | 179.4 | -71.5 | -170.5 | -173.7 | 140.9 | -1.7 | 110 | N285 Y294 E344 S361 | N285-R363 HydrophobicContact CB-CG 4.23Å; N285-R363 WeakPolarHBondContact O-CA 3.42Å; N285-R363 WeakPolarHBondContact OD1-CG 3.48Å; N285-R363 PolarHBondContact OD1-NE 2.93Å; N285-R363 VanDerWaalsContact OD1-NE 3.17Å; Y294-R363 WeakPolarHBondContact OH-CD 3.41Å; E344-R363 IonicContact OE2-CZ 3.67Å; E344-R363 IonicContact OE2-NH1 2.75Å; E344-R363 PolarHBondContact OE2-NH1 2.89Å; E344-R363 IonicContact OE2-NH2 3.46Å; E344-R363 PolarHBondContact OE2-NH2 3.33Å; S361-R363 PolarHBondContact O-N 3.35Å | ||
| 364 | C | 77.5 | Confident | 64.3 | Low | 25 Ų | 25 | 94.2 Ų | 94.2 | 17% | 0.169 | 50% | 0.499 | C | S | . | . | trans | -160.1 | 142.8 | -177.4 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | N285 I362 I366 | N285-C364 PolarHBondContact O-N 3.4Å; I362-C364 HydrophobicContact CG2-CB 4.43Å; I362-C364 PolarHBondContact O-N 3.05Å; I362-C364 VanDerWaalsContact O-N 3.12Å; I362-C364 PolarHBondContact O-SG 3.2Å; I362-C364 VanDerWaalsContact O-SG 3.42Å; C364-I366 HydrophobicContact CB-CD1 3.91Å; C364-I366 HydrophobicContact CB-CG1 3.89Å; C364-I366 PolarHBondContact O-N 2.95Å; C364-I366 WeakPolarHBondContact SG-CD1 3.32Å | ||
| 365 | F | 85.9 | Confident | 66.8 | Low | 17 Ų | 17 | 87.5 Ų | 87.5 | 8% | 0.075 | 47% | 0.47 | C | S | . | . | trans | -85.2 | 97.1 | 168.5 | -179.5 | -102.7 | 0 | 0 | 0 | 108.4 | W225 I232 R286 L287 P290 L291 P306 | W225-F365 HydrophobicContact CD2-CE1 4.46Å; W225-F365 HydrophobicContact CD2-CE2 4.32Å; W225-F365 AromaticContact CD2-CZ 3.93Å; W225-F365 HydrophobicContact CD2-CZ 3.93Å; W225-F365 HydrophobicContact CE3-CD1 4.12Å; W225-F365 HydrophobicContact CE3-CD2 4.12Å; W225-F365 AromaticContact CE3-CE1 3.67Å; W225-F365 HydrophobicContact CE3-CE1 3.67Å; W225-F365 AromaticContact CE3-CE2 3.63Å; W225-F365 HydrophobicContact CE3-CE2 3.63Å; W225-F365 HydrophobicContact CE3-CG 4.33Å; W225-F365 AromaticContact CE3-CZ 3.38Å; W225-F365 HydrophobicContact CE3-CZ 3.38Å; W225-F365 HydrophobicContact CH2-CD1 4.15Å; W225-F365 AromaticContact CH2-CE1 3.57Å; W225-F365 HydrophobicContact CH2-CE1 3.57Å; W225-F365 HydrophobicContact CH2-CZ 4.02Å; W225-F365 HydrophobicContact CZ2-CE1 4.35Å; W225-F365 HydrophobicContact CZ2-CZ 4.47Å; W225-F365 AromaticContact CZ3-CD1 3.48Å; W225-F365 HydrophobicContact CZ3-CD1 3.48Å; W225-F365 VanDerWaalsContact CZ3-CD1 3.48Å; W225-F365 HydrophobicContact CZ3-CD2 4.28Å; W225-F365 AromaticContact CZ3-CE1 3.16Å; W225-F365 HydrophobicContact CZ3-CE1 3.16Å; W225-F365 HydrophobicContact CZ3-CE2 4Å; W225-F365 HydrophobicContact CZ3-CG 4.04Å; W225-F365 AromaticContact CZ3-CZ 3.44Å; W225-F365 HydrophobicContact CZ3-CZ 3.44Å; W225-F365 VanDerWaalsContact CZ3-CZ 3.44Å; I232-F365 HydrophobicContact CD1-CE1 3.82Å; I232-F365 HydrophobicContact CD1-CZ 4.49Å; R286-F365 WeakPolarHBondContact O-CD2 3.43Å; L287-F365 HydrophobicContact CD1-CD2 4.46Å; L287-F365 HydrophobicContact CD1-CE2 4.4Å; P290-F365 HydrophobicContact CB-CB 4.46Å; P290-F365 HydrophobicContact CG-CB 4.35Å; L291-F365 HydrophobicContact CD2-CD2 4.42Å; L291-F365 HydrophobicContact CD2-CE2 4.46Å; P306-F365 HydrophobicContact CG-CD1 3.72Å; P306-F365 HydrophobicContact CG-CE1 4.44Å | ||
| 366 | I | 82.4 | Confident | 69.4 | Low | 111 Ų | 111 | 77.5 Ų | 77.5 | 57% | 0.569 | 43% | 0.433 | S | S | * | . | trans | -130.8 | 141.2 | -177.8 | -63.9 | -176 | 0 | 0 | 0 | 110.3 | C364 | C364-I366 HydrophobicContact CB-CD1 3.91Å; C364-I366 HydrophobicContact CB-CG1 3.89Å; C364-I366 PolarHBondContact O-N 2.95Å; C364-I366 WeakPolarHBondContact SG-CD1 3.32Å | ||
| 367 | K | 86.4 | Confident | 71.7 | Confident | 143 Ų | 143 | 77 Ų | 77 | 62% | 0.622 | 42% | 0.418 | S | S | * | . | trans | -60.7 | 134 | -179.8 | -169.6 | 170.4 | -179 | 172.9 | 0 | 111.4 | W225 T369 | W225-K367 HydrophobicContact CD2-CB 4.09Å; W225-K367 HydrophobicContact CD2-CG 4.24Å; W225-K367 VanDerWaalsContact CE3-CA 3.46Å; W225-K367 HydrophobicContact CE3-CB 4.21Å; W225-K367 VanDerWaalsContact CE3-N 3.34Å; W225-K367 HydrophobicContact CH2-CB 3.83Å; W225-K367 HydrophobicContact CZ2-CB 3.7Å; W225-K367 HydrophobicContact CZ2-CD 4.21Å; W225-K367 HydrophobicContact CZ2-CG 3.99Å; W225-K367 HydrophobicContact CZ3-CB 4.08Å; K367-T369 PolarHBondContact O-N 2.96Å | ||
| 368 | P | 86.8 | Confident | 73.9 | Confident | 23 Ų | 23 | 75.5 Ų | 75.5 | 15% | 0.149 | 40% | 0.4 | C | S | . | . | trans | -52.6 | 134.9 | 171.6 | -27.1 | 35.1 | 0 | 0 | 0 | 111.6 | S221 W225 E370 | S221-P368 VanDerWaalsContact O-CG 3.26Å; S221-P368 WeakPolarHBondContact O-CG 3.32Å; W225-P368 HydrophobicContact CB-CG 4.07Å; W225-P368 HydrophobicContact CG-CG 4.41Å; P368-E370 PolarHBondContact O-N 3.36Å | ||
| 369 | T | 80.9 | Confident | 75.7 | Confident | 143 Ų | 143 | 72.2 Ų | 72.2 | 88% | 0.877 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -66.7 | -21.5 | -175.4 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | K367 | K367-T369 PolarHBondContact O-N 2.96Š|
| 370 | E | 82.5 | Confident | 77.5 | Confident | 47 Ų | 47 | 70.6 Ų | 70.6 | 22% | 0.22 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -138.9 | 152.1 | 176.1 | -60.6 | -169.9 | 130 | 0 | 0 | 109.7 | P368 R374 M378 | P368-E370 PolarHBondContact O-N 3.36Å; E370-R374 HydrophobicContact CB-CG 4.39Å; E370-R374 IonicContact OE1-CZ 3.22Å; E370-R374 VanDerWaalsContact OE1-CZ 3.22Å; E370-R374 IonicContact OE1-NE 2.72Å; E370-R374 PolarHBondContact OE1-NE 3.4Å; E370-R374 IonicContact OE1-NH2 2.86Å; E370-R374 PolarHBondContact OE1-NH2 2.89Å; E370-M378 WeakPolarHBondContact OE2-CE 3.17Å; E370-M378 VanDerWaalsContact OE2-SD 3.41Å |
| 371 | T | 87.5 | Confident | 78.5 | Confident | 84 Ų | 84 | 72.8 Ų | 72.8 | 52% | 0.515 | 36% | 0.364 | S | S | . | . | trans | -66.3 | 153.9 | 172.8 | 58 | 0 | 0 | 0 | 0 | 111 | E373 R374 S375 | T371-E373 VanDerWaalsContact C-N 3.31Å; T371-E373 PolarHBondContact O-N 3.42Å; T371-R374 PolarHBondContact O-N 3.47Å; T371-S375 PolarHBondContact O-N 3.46Å; T371-S375 PolarHBondContact O-OG 3.46Å | ||
| 372 | L | 88.6 | Confident | 78.5 | Confident | 4 Ų | 4 | 76.5 Ų | 76.5 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -52.1 | -47.8 | 178.3 | 177.4 | 59 | 0 | 0 | 0 | 112.4 | I176 F179 P218 Y219 N222 R374 S375 L376 | I176-L372 HydrophobicContact CB-CD2 4.5Å; I176-L372 HydrophobicContact CG1-CD2 4.43Å; I176-L372 WeakPolarHBondContact O-CD2 3.47Å; F179-L372 HydrophobicContact CD1-CD2 3.64Å; F179-L372 HydrophobicContact CE1-CB 4.31Å; F179-L372 HydrophobicContact CE1-CD2 3.79Å; F179-L372 HydrophobicContact CG-CD2 4.45Å; P218-L372 HydrophobicContact CB-CD1 4.07Å; P218-L372 HydrophobicContact CG-CD1 4.46Å; Y219-L372 HydrophobicContact CD2-CD2 3.84Å; N222-L372 HydrophobicContact CB-CB 4.38Å; L372-R374 PolarHBondContact O-N 3.07Å; L372-S375 WeakPolarHBondContact O-CB 3.35Å; L372-S375 PolarHBondContact O-N 3.28Å; L372-L376 HydrophobicContact CD1-CD1 4Å; L372-L376 HydrophobicContact CD1-CG 4.06Å; L372-L376 HydrophobicContact CG-CD1 3.92Å; L372-L376 HydrophobicContact CG-CG 4.41Å; L372-L376 VanDerWaalsContact O-CG 3.3Å; L372-L376 WeakPolarHBondContact O-CG 3.38Å; L372-L376 PolarHBondContact O-N 3.15Å |
| 373 | E | 85.5 | Confident | 77.9 | Confident | 98 Ų | 98 | 74.2 Ų | 74.2 | 46% | 0.458 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -55.5 | -49.1 | 179.9 | -55.3 | -171.7 | 117.6 | 0 | 0 | 112.2 | K177 T371 S375 L376 E377 | K177-E373 HydrophobicContact CB-CG 4.21Å; K177-E373 HydrophobicContact CD-CG 4.22Å; K177-E373 HydrophobicContact CG-CG 4.07Å; T371-E373 VanDerWaalsContact C-N 3.31Å; T371-E373 PolarHBondContact O-N 3.42Å; E373-S375 PolarHBondContact O-N 2.95Å; E373-L376 PolarHBondContact O-N 2.82Å; E373-E377 PolarHBondContact O-N 2.87Å |
| 374 | R | 83.9 | Confident | 76.3 | Confident | 139 Ų | 139 | 80.1 Ų | 80.1 | 53% | 0.525 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 179.6 | 176.9 | 170.2 | 165.6 | 148.6 | -6.4 | 112 | E370 T371 L372 E377 M378 | E370-R374 HydrophobicContact CB-CG 4.39Å; E370-R374 IonicContact OE1-CZ 3.22Å; E370-R374 VanDerWaalsContact OE1-CZ 3.22Å; E370-R374 IonicContact OE1-NE 2.72Å; E370-R374 PolarHBondContact OE1-NE 3.4Å; E370-R374 IonicContact OE1-NH2 2.86Å; E370-R374 PolarHBondContact OE1-NH2 2.89Å; T371-R374 PolarHBondContact O-N 3.47Å; L372-R374 PolarHBondContact O-N 3.07Å; R374-E377 PolarHBondContact O-N 3.21Å; R374-M378 HydrophobicContact CG-SD 3.88Å; R374-M378 WeakPolarHBondContact O-CB 3.44Å; R374-M378 WeakPolarHBondContact O-CG 3.34Å; R374-M378 PolarHBondContact O-N 2.97Å |
| 375 | S | 86.6 | Confident | 74.5 | Confident | 23 Ų | 23 | 90 Ų | 90 | 16% | 0.161 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 174.1 | -69.6 | 0 | 0 | 0 | 0 | 112.3 | T371 L372 E373 N379 | T371-S375 PolarHBondContact O-N 3.46Å; T371-S375 PolarHBondContact O-OG 3.46Å; L372-S375 WeakPolarHBondContact O-CB 3.35Å; L372-S375 PolarHBondContact O-N 3.28Å; E373-S375 PolarHBondContact O-N 2.95Å; S375-N379 WeakPolarHBondContact O-CB 3.4Å; S375-N379 PolarHBondContact O-N 3.22Å |
| 376 | L | 86 | Confident | 72 | Confident | 17 Ų | 17 | 99.8 Ų | 99.8 | 9% | 0.089 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 176.6 | -66.6 | 168.8 | 0 | 0 | 0 | 111.4 | I176 T215 L372 E373 M378 N379 K380 | I176-L376 HydrophobicContact CD1-CD1 3.84Å; I176-L376 HydrophobicContact CD1-CD2 4.08Å; I176-L376 HydrophobicContact CG1-CD1 3.92Å; T215-L376 HydrophobicContact CG2-CD2 3.75Å; L372-L376 HydrophobicContact CD1-CD1 4Å; L372-L376 HydrophobicContact CD1-CG 4.06Å; L372-L376 HydrophobicContact CG-CD1 3.92Å; L372-L376 HydrophobicContact CG-CG 4.41Å; L372-L376 VanDerWaalsContact O-CG 3.3Å; L372-L376 WeakPolarHBondContact O-CG 3.38Å; L372-L376 PolarHBondContact O-N 3.15Å; E373-L376 PolarHBondContact O-N 2.82Å; L376-M378 PolarHBondContact O-N 3.43Å; L376-N379 PolarHBondContact O-N 2.66Å; L376-K380 PolarHBondContact O-N 3.13Å |
| 377 | E | 81.8 | Confident | 69.6 | Low | 110 Ų | 110 | 101.3 Ų | 101.3 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 176.2 | -72.6 | -166.8 | 156.5 | 0 | 0 | 112.2 | E373 R374 N379 K380 H381 | E373-E377 PolarHBondContact O-N 2.87Å; R374-E377 PolarHBondContact O-N 3.21Å; E377-N379 VanDerWaalsContact C-N 3.33Å; E377-N379 PolarHBondContact O-N 3.29Å; E377-K380 WeakPolarHBondContact O-CB 3.36Å; E377-K380 PolarHBondContact O-N 3.21Å; E377-H381 PolarHBondContact O-N 2.91Å; E377-H381 VanDerWaalsContact O-N 3.15Å; E377-H381 PolarHBondContact O-ND1 3.31Å |
| 378 | M | 78.7 | Confident | 66.9 | Low | 74 Ų | 74 | 102.5 Ų | 102.5 | 37% | 0.365 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -34.6 | 177.2 | -78.5 | 169.9 | 47.2 | 0 | 0 | 112.5 | E370 R374 L376 H381 K382 | E370-M378 WeakPolarHBondContact OE2-CE 3.17Å; E370-M378 VanDerWaalsContact OE2-SD 3.41Å; R374-M378 HydrophobicContact CG-SD 3.88Å; R374-M378 WeakPolarHBondContact O-CB 3.44Å; R374-M378 WeakPolarHBondContact O-CG 3.34Å; R374-M378 PolarHBondContact O-N 2.97Å; L376-M378 PolarHBondContact O-N 3.43Å; M378-H381 PolarHBondContact O-N 2.97Å; M378-K382 WeakPolarHBondContact O-CG 3.2Å; M378-K382 PolarHBondContact O-N 3.49Å |
| 379 | N | 74.6 | Confident | 64.1 | Low | 33 Ų | 33 | 111.1 Ų | 111.1 | 18% | 0.176 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -69.3 | -36 | 173.6 | -79.9 | -16.5 | 0 | 0 | 0 | 112.5 | K214 S375 L376 E377 H381 K382 | K214-N379 HydrophobicContact CD-CB 4.35Å; K214-N379 PolarHBondContact O-ND2 3.34Å; S375-N379 WeakPolarHBondContact O-CB 3.4Å; S375-N379 PolarHBondContact O-N 3.22Å; L376-N379 PolarHBondContact O-N 2.66Å; E377-N379 VanDerWaalsContact C-N 3.33Å; E377-N379 PolarHBondContact O-N 3.29Å; N379-H381 VanDerWaalsContact C-N 3.3Å; N379-H381 PolarHBondContact O-N 3.01Å; N379-K382 PolarHBondContact O-N 3.08Å; N379-K382 PolarHBondContact OD1-NZ 3.27Å |
| 380 | K | 68.4 | Low | 61.6 | Low | 92 Ų | 92 | 115.5 Ų | 115.5 | 40% | 0.4 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -32.5 | 173.1 | -164.6 | 160.5 | -175.7 | 154.6 | 0 | 112.9 | D168 L376 E377 | D168-K380 WeakPolarHBondContact OD1-CE 3.46Å; D168-K380 IonicContact OD1-NZ 2.67Å; D168-K380 PolarHBondContact OD1-NZ 2.9Å; D168-K380 WeakPolarHBondContact OD2-CE 3.27Å; D168-K380 IonicContact OD2-NZ 3.27Å; D168-K380 PolarHBondContact OD2-NZ 3.39Å; L376-K380 PolarHBondContact O-N 3.13Å; E377-K380 WeakPolarHBondContact O-CB 3.36Å; E377-K380 PolarHBondContact O-N 3.21Å |
| 381 | H | 57.6 | Low | 59.1 | Low | 126 Ų | 126 | 119.4 Ų | 119.4 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -78.6 | -34.4 | 176.9 | -73 | 89 | 0 | 0 | 0 | 113.9 | E377 M378 N379 G383 K384 | E377-H381 PolarHBondContact O-N 2.91Å; E377-H381 VanDerWaalsContact O-N 3.15Å; E377-H381 PolarHBondContact O-ND1 3.31Å; M378-H381 PolarHBondContact O-N 2.97Å; N379-H381 VanDerWaalsContact C-N 3.3Å; N379-H381 PolarHBondContact O-N 3.01Å; H381-G383 PolarHBondContact O-N 3.33Å; H381-K384 PolarHBondContact O-N 2.92Å |
| 382 | K | 52.5 | Low | 56.1 | Low | 135 Ų | 135 | 122.9 Ų | 122.9 | 59% | 0.587 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.3 | -30.9 | 178 | -76.3 | 169 | -174.1 | 166.3 | 0 | 113.1 | M378 N379 K384 R385 | M378-K382 WeakPolarHBondContact O-CG 3.2Å; M378-K382 PolarHBondContact O-N 3.49Å; N379-K382 PolarHBondContact O-N 3.08Å; N379-K382 PolarHBondContact OD1-NZ 3.27Å; K382-K384 PolarHBondContact O-N 2.84Å; K382-R385 PolarHBondContact O-N 3.41Å |
| 383 | G | 45.1 | Very low | 53.3 | Low | 61 Ų | 61 | 132.7 Ų | 132.7 | 63% | 0.629 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -26.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | H381 R385 | H381-G383 PolarHBondContact O-N 3.33Å; G383-R385 VanDerWaalsContact C-N 3.34Å; G383-R385 PolarHBondContact O-N 3.24Å |
| 384 | K | 42.2 | Very low | 50.6 | Low | 178 Ų | 178 | 136.1 Ų | 136.1 | 77% | 0.774 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -1.6 | -175.3 | -67.9 | -176.8 | 177.7 | 176.8 | 0 | 115 | H381 K382 | H381-K384 PolarHBondContact O-N 2.92Å; K382-K384 PolarHBondContact O-N 2.84Å |
| 385 | R | 40.4 | Very low | 47.9 | Very low | 232 Ų | 232 | 136.3 Ų | 136.3 | 88% | 0.875 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -117.1 | 58.9 | -177.5 | -75.6 | -167.5 | 173.7 | -169.1 | 0.1 | 114 | K382 G383 | K382-R385 PolarHBondContact O-N 3.41Å; G383-R385 VanDerWaalsContact C-N 3.34Å; G383-R385 PolarHBondContact O-N 3.24Å |
| 386 | R | 33.3 | Very low | 45.1 | Very low | 222 Ų | 222 | 142 Ų | 142 | 84% | 0.838 | 67% | 0.673 | S | S | * | * | trans | -152.4 | 51.4 | 164.2 | -125.1 | 176 | -166.6 | -165.2 | 3.5 | 116.2 | Q388 | R386-Q388 PolarHBondContact O-N 3.44Å; R386-Q388 VanDerWaalsContact O-N 3.08Å | ||
| 387 | V | 31.9 | Very low | 42.3 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 87% | 0.873 | 70% | 0.699 | S | S | * | * | trans | -69.1 | 102.1 | 158.5 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | K389 | V387-K389 PolarHBondContact O-N 3.46Š| ||
| 388 | Q | 29.6 | Very low | 39.7 | Very low | 168 Ų | 168 | 148.3 Ų | 148.3 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 117.7 | 173.1 | -79.7 | 175.3 | -48 | 0 | 0 | 109.8 | R386 R390 | R386-Q388 PolarHBondContact O-N 3.44Å; R386-Q388 VanDerWaalsContact O-N 3.08Å; Q388-R390 PolarHBondContact O-N 2.91Å |
| 389 | K | 28.5 | Very low | 37.2 | Very low | 204 Ų | 204 | 153.5 Ų | 153.5 | 89% | 0.887 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 122.6 | 160.2 | -79.9 | -172.6 | 172.8 | -176.1 | 0 | 107.9 | V387 | V387-K389 PolarHBondContact O-N 3.46Š|
| 390 | R | 29.5 | Very low | 35 | Very low | 234 Ų | 234 | 160.6 Ų | 160.6 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 137.4 | 166.8 | -71.3 | -178 | 174.9 | -178.3 | -1.9 | 108.8 | Q388 N392 | Q388-R390 PolarHBondContact O-N 2.91Å; R390-N392 PolarHBondContact O-N 3.21Å |
| 391 | P | 29.5 | Very low | 33 | Very low | 130 Ų | 130 | 163 Ų | 163 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 129.9 | 166.8 | 29.7 | -32.4 | 0 | 0 | 0 | 108.7 | ||
| 392 | N | 25.1 | Very low | 31.7 | Very low | 156 Ų | 156 | 164.5 Ų | 164.5 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -115.9 | 147.7 | 170.7 | -166.3 | 22.4 | 0 | 0 | 0 | 109.7 | R390 | R390-N392 PolarHBondContact O-N 3.21Š| ||
| 393 | Y | 28.4 | Very low | 30.5 | Very low | 210 Ų | 210 | 164.6 Ų | 164.6 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -83.9 | 148.4 | -175.8 | -106.3 | -109 | 0 | 0 | 0 | 112.6 | ||||
| 394 | K | 28.5 | Very low | 29.6 | Very low | 171 Ų | 171 | 169.6 Ų | 169.6 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | -27.1 | 135.8 | 173.1 | -57.5 | 175 | 168.2 | -176 | 0 | 116.6 | ||||
| 395 | N | 27.2 | Very low | 28.8 | Very low | 142 Ų | 142 | 164.2 Ų | 164.2 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | 167.3 | 143.7 | 102.4 | -85.9 | -33.3 | 0 | 0 | 0 | 111.4 | |||||
| 396 | V | 28.9 | Very low | 28.6 | Very low | 143 Ų | 143 | 158.8 Ų | 158.8 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | 60.3 | 136.5 | 170.5 | -148.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 397 | G | 27.2 | Very low | 28.4 | Very low | 62 Ų | 62 | 154.2 Ų | 154.2 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | cis | 125.2 | 81.4 | -1.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 398 | E | 27.5 | Very low | 28.3 | Very low | 197 Ų | 197 | 155.7 Ų | 155.7 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -159.2 | 169.9 | 168.8 | -111.2 | 152.3 | -149.3 | 0 | 0 | 108.7 | ||||
| 399 | E | 25.2 | Very low | 28.1 | Very low | 183 Ų | 183 | 154.3 Ų | 154.3 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -109.9 | -162.6 | -156.3 | -58 | 180 | 126.7 | 0 | 0 | 113 | ||||
| 400 | E | 28.5 | Very low | 28.2 | Very low | 182 Ų | 182 | 148.7 Ų | 148.7 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | 70.2 | 153.8 | 166.3 | -59.7 | 179.2 | -172 | 0 | 0 | 119.2 | ||||
| 401 | D | 27.7 | Very low | 28.2 | Very low | 143 Ų | 143 | 145 Ų | 145 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | cis | -161.5 | 160.4 | -48.9 | -133.3 | -33.2 | 0 | 0 | 0 | 111.3 | ||||
| 402 | E | 28.4 | Very low | 28.3 | Very low | 158 Ų | 158 | 146 Ų | 146 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | 52.4 | 177 | 165 | -56.3 | -154.3 | 117.6 | 0 | 0 | 117.7 | ||||
| 403 | E | 28.2 | Very low | 28.5 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -146.2 | 133 | 4 | -157.5 | -172.7 | -178.1 | 0 | 0 | 113.3 | ||||
| 404 | K | 27 | Very low | 28.6 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | 47.4 | 140.4 | 150.4 | -68 | 163.6 | -161.7 | 147.4 | 0 | 124.4 | ||||
| 405 | G | 23.9 | Very low | 28.7 | Very low | 65 Ų | 65 | 138.9 Ų | 138.9 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | trans | -84.3 | -165.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 406 | P | 36.5 | Very low | 28.8 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | -127 | 151.6 | 75.8 | 7.5 | 16.1 | 0 | 0 | 0 | 112.9 | |||||
| 407 | T | 28.9 | Very low | 28.9 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | cis | 93.3 | 161.8 | 48.4 | 71.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 408 | E | 29.5 | Very low | 28.9 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 82.3 | 127.1 | -179.6 | -58.7 | 179.2 | -157.2 | 0 | 0 | 117.2 | ||||
| 409 | D | 26.8 | Very low | 28.8 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | cis | -162.3 | -179.3 | -21.9 | -132.6 | -29.1 | 0 | 0 | 0 | 114.4 | ||||
| 410 | A | 29.3 | Very low | 29 | Very low | 85 Ų | 85 | 137.9 Ų | 137.9 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | 80.4 | 116.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 411 | Q | 30.1 | Very low | 28.8 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 73% | 0.729 | 76% | 0.76 | S | S | * | * | cis | 70.5 | 127.4 | 32 | -149.3 | 169.4 | -15.2 | 0 | 0 | 111.5 | ||||
| 412 | E | 31.5 | Very low | 28.8 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 71% | 0.71 | 77% | 0.766 | S | S | * | * | cis | -149.6 | 174 | 9.4 | -133.1 | 161.8 | -136.6 | 0 | 0 | 108 | ||||
| 413 | D | 28.3 | Very low | 28.6 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | cis | -152.7 | -156.9 | 5.9 | -167.7 | 17.8 | 0 | 0 | 0 | 111.3 | ||||
| 414 | A | 32.3 | Very low | 28.7 | Very low | 71 Ų | 71 | 131.6 Ų | 131.6 | 59% | 0.587 | 78% | 0.782 | S | S | * | * | trans | -75.5 | -173 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 415 | E | 29.7 | Very low | 29 | Very low | 172 Ų | 172 | 134 Ų | 134 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | cis | -138.2 | 178.5 | 21 | -107 | -140.1 | 120.5 | 0 | 0 | 116.3 | ||||
| 416 | K | 29.7 | Very low | 29.1 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | trans | -96.4 | 156.2 | -167.1 | -52.7 | 143.7 | -174.3 | 145 | 0 | 113.2 | ||||
| 417 | A | 30 | Very low | 28.7 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -148.2 | 140.6 | 135.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 418 | K | 27.7 | Very low | 28.6 | Very low | 218 Ų | 218 | 138.5 Ų | 138.5 | 95% | 0.948 | 80% | 0.796 | S | S | * | * | trans | -115.6 | 153.2 | 169.5 | -81.5 | -173.6 | 174.3 | -176.6 | 0 | 109.4 | ||||
| 419 | G | 26.6 | Very low | 28.5 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 158.2 | 75.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 420 | T | 27.8 | Very low | 28.5 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | 86.5 | 140.6 | 77.9 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 421 | E | 26 | Very low | 28.3 | Very low | 192 Ų | 192 | 133.9 Ų | 133.9 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -65.7 | 161.6 | -168.7 | -53.8 | 162.1 | 130.5 | 0 | 0 | 114.8 | ||||
| 422 | G | 26.2 | Very low | 28.1 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | 167.7 | 86.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 423 | G | 25.7 | Very low | 27.8 | Very low | 74 Ų | 74 | 133.8 Ų | 133.8 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | trans | -112.8 | 147.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 424 | S | 28.4 | Very low | 27.7 | Very low | 133 Ų | 133 | 136 Ų | 136 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | trans | -169.5 | 157.6 | 155.6 | -87.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 425 | K | 33.4 | Very low | 27.4 | Very low | 218 Ų | 218 | 141.4 Ų | 141.4 | 95% | 0.948 | 83% | 0.825 | S | S | * | * | trans | -108.6 | 148.2 | 177.5 | -77.6 | -175.2 | 174.2 | -177.7 | 0 | 112.1 | ||||
| 426 | G | 26.2 | Very low | 27.2 | Very low | 70 Ų | 70 | 140.4 Ų | 140.4 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | trans | 148.6 | 155.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 427 | I | 28.5 | Very low | 27 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | cis | -169 | 148.3 | -17.3 | -133.1 | 163.2 | 0 | 0 | 0 | 109.7 | ||||
| 428 | K | 27.7 | Very low | 26.6 | Very low | 182 Ų | 182 | 143.5 Ų | 143.5 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | trans | 66.9 | 162.9 | 166.7 | -73.3 | 174.6 | -175.5 | -179.9 | 0 | 117.1 | ||||
| 429 | T | 25.8 | Very low | 26.4 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | cis | -162.2 | 175.8 | -3 | 9.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 430 | S | 26.8 | Very low | 26.4 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | cis | -174.1 | 159.4 | -6.8 | 42.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 431 | G | 25.8 | Very low | 26.2 | Very low | 66 Ų | 66 | 143.7 Ų | 143.7 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | trans | 105.3 | 137.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 432 | E | 25.6 | Very low | 26.2 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | cis | 74.5 | 125.4 | 41.6 | -65.8 | -179.4 | -175.3 | 0 | 0 | 112.9 | ||||
| 433 | S | 26.2 | Very low | 26.2 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | cis | -153.8 | -169.8 | 0.7 | -80.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 434 | E | 26.5 | Very low | 26 | Very low | 190 Ų | 190 | 149.1 Ų | 149.1 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -84.7 | -170.3 | -169.5 | -56.5 | 175.8 | 124.2 | 0 | 0 | 116.3 | ||||
| 435 | E | 24.6 | Very low | 25.8 | Very low | 186 Ų | 186 | 152.7 Ų | 152.7 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | 95.8 | 145.7 | 176.4 | -60.1 | -172.6 | 170.4 | 0 | 0 | 117.5 | ||||
| 436 | I | 25.4 | Very low | 25.4 | Very low | 151 Ų | 151 | 149.5 Ų | 149.5 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | cis | -168.7 | 134.1 | -49.8 | -104.4 | 162.3 | 0 | 0 | 0 | 105.2 | ||||
| 437 | E | 26 | Very low | 25.3 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 12.4 | 137.7 | 155.9 | -169.9 | 169.9 | -149.1 | 0 | 0 | 123.6 | ||||
| 438 | M | 21.3 | Very low | 25.2 | Very low | 180 Ų | 180 | 150.9 Ų | 150.9 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -159.5 | 114.8 | 133.9 | -105.7 | -151.3 | -62.6 | 0 | 0 | 114.8 | ||||
| 439 | V | 24.8 | Very low | 25.1 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 65% | 0.648 | 78% | 0.784 | S | S | * | * | trans | 31.6 | 128 | 133.7 | -173.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 440 | I | 26.3 | Very low | 25.1 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | -166.1 | 156 | 128.7 | -101.9 | 158.4 | 0 | 0 | 0 | 111.6 | |||||
| 441 | M | 23.2 | Very low | 25 | Very low | 147 Ų | 147 | 147.1 Ų | 147.1 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | -101.3 | 172.5 | -163.4 | -65.4 | 161.6 | 46.1 | 0 | 0 | 116.5 | ||||
| 442 | E | 26.1 | Very low | 25 | Very low | 149 Ų | 149 | 148.8 Ų | 148.8 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | trans | 75.4 | 149.1 | 157.5 | -80 | -175.4 | -153.5 | 0 | 0 | 118.2 | ||||
| 443 | R | 25.8 | Very low | 25 | Very low | 227 Ų | 227 | 146 Ų | 146 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | cis | -154.4 | 155.8 | 35.4 | -153.6 | 169.7 | -167.9 | -178.9 | 2.3 | 116.2 | ||||
| 444 | S | 22.5 | Very low | 25 | Very low | 90 Ų | 90 | 146.3 Ų | 146.3 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | trans | -89.4 | 161.9 | -165.3 | -1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 445 | K | 23.7 | Very low | 25.3 | Very low | 208 Ų | 208 | 142.7 Ų | 142.7 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | trans | 170.9 | 113.5 | 144.6 | -97.1 | 168.1 | -177.1 | -172.3 | 0 | 108.9 | ||||
| 446 | L | 24.6 | Very low | 25.4 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | cis | 92 | 142.2 | 17.4 | -124.6 | -175.5 | 0 | 0 | 0 | 116.2 | ||||
| 447 | S | 23.9 | Very low | 25.9 | Very low | 91 Ų | 91 | 143.7 Ų | 143.7 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | 88.3 | 140 | 176.7 | -62.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 448 | E | 26.7 | Very low | 26.2 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | cis | -169.5 | 149.5 | -22.2 | -107.8 | 158.2 | 130.6 | 0 | 0 | 106 | ||||
| 449 | L | 25.3 | Very low | 27.2 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | cis | 97.9 | 108.5 | 37.6 | -159.3 | 171.1 | 0 | 0 | 0 | 113.6 | ||||
| 450 | A | 25.4 | Very low | 28.1 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | -174.6 | 146.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 451 | A | 25.2 | Very low | 29.6 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | cis | -166.6 | 169.7 | -15.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 452 | S | 26 | Very low | 30.7 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | cis | -159.1 | 132.4 | 1.3 | 18.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 453 | T | 25.2 | Very low | 32.5 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | 64.7 | 100.1 | 91.9 | -43.2 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 454 | S | 27.1 | Very low | 33.8 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | -151.7 | 149.4 | 129.9 | 66.2 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 455 | V | 31.2 | Very low | 35 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | trans | -136.3 | 142.9 | -164.8 | 174.1 | 0 | 0 | 0 | 0 | 110 | E457 | V455-E457 HydrophobicContact CG1-CG 3.72Š| ||
| 456 | Q | 28.1 | Very low | 35.9 | Very low | 197 Ų | 197 | 127.9 Ų | 127.9 | 92% | 0.921 | 72% | 0.715 | S | S | * | * | trans | -137.5 | 112.5 | 155.5 | -157.8 | 161.5 | 13.9 | 0 | 0 | 109.4 | ||||
| 457 | E | 35.4 | Very low | 36.9 | Very low | 161 Ų | 161 | 122.9 Ų | 122.9 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | trans | -78.6 | 141.6 | -170.4 | -69.8 | 160.1 | 164.5 | 0 | 0 | 112.5 | V455 | V455-E457 HydrophobicContact CG1-CG 3.72Š| ||
| 458 | Q | 33.5 | Very low | 37.7 | Very low | 182 Ų | 182 | 121.8 Ų | 121.8 | 85% | 0.85 | 69% | 0.692 | S | S | * | * | trans | -131.1 | 142.7 | 148.2 | -67.6 | -166 | -1.6 | 0 | 0 | 108.5 | T460 | Q458-T460 PolarHBondContact O-N 3Š| ||
| 459 | N | 41.9 | Very low | 38.1 | Very low | 161 Ų | 161 | 117.1 Ų | 117.1 | 86% | 0.861 | 68% | 0.681 | S | S | * | * | trans | -82 | 97 | -169.1 | -62 | -59.4 | 0 | 0 | 0 | 111.6 | ||||
| 460 | T | 43.6 | Very low | 38.4 | Very low | 94 Ų | 94 | 114.2 Ų | 114.2 | 58% | 0.577 | 67% | 0.67 | S | S | * | * | trans | -73.7 | 138 | 165 | 58.1 | 0 | 0 | 0 | 0 | 110.1 | Q458 E464 | Q458-T460 PolarHBondContact O-N 3Å; T460-E464 WeakPolarHBondContact CA-OE2 3.44Å; T460-E464 WeakPolarHBondContact CB-OE2 3.38Å; T460-E464 WeakPolarHBondContact CG2-OE2 3.3Å | ||
| 461 | T | 56.6 | Low | 38.7 | Very low | 80 Ų | 80 | 114.6 Ų | 114.6 | 49% | 0.491 | 67% | 0.665 | S | S | . | * | trans | -75.4 | 159.7 | 175.4 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | E463 E464 K465 | T461-E463 PolarHBondContact O-N 2.92Å; T461-E464 WeakPolarHBondContact O-CB 3.43Å; T461-E464 PolarHBondContact O-N 2.94Å; T461-K465 PolarHBondContact O-N 2.85Å; T461-K465 VanDerWaalsContact O-N 3.14Å | ||
| 462 | D | 47.5 | Very low | 39 | Very low | 124 Ų | 124 | 114.6 Ų | 114.6 | 66% | 0.663 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63.9 | -24.3 | -179.7 | -126.4 | -2.3 | 0 | 0 | 0 | 112.2 | S466 | D462-S466 WeakPolarHBondContact O-CB 3.46Å; D462-S466 PolarHBondContact O-N 3Å; D462-S466 PolarHBondContact O-OG 3.27Å |
| 463 | E | 63 | Low | 39 | Very low | 156 Ų | 156 | 117.7 Ų | 117.7 | 73% | 0.729 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67.1 | -39.1 | 171.8 | -65.2 | 163.6 | 131.5 | 0 | 0 | 112 | T461 S466 A467 | T461-E463 PolarHBondContact O-N 2.92Å; E463-S466 CarbonylContact O-C 3.6Å; E463-S466 PolarHBondContact O-N 3.29Å; E463-A467 WeakPolarHBondContact O-CB 2.97Å; E463-A467 PolarHBondContact O-N 3.08Å |
| 464 | E | 53.7 | Low | 39.2 | Very low | 114 Ų | 114 | 115.7 Ų | 115.7 | 53% | 0.533 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -70.9 | -36.6 | 176.7 | -168.5 | 171.6 | -141.1 | 0 | 0 | 111.3 | T460 T461 S466 A467 A468 | T460-E464 WeakPolarHBondContact CA-OE2 3.44Å; T460-E464 WeakPolarHBondContact CB-OE2 3.38Å; T460-E464 WeakPolarHBondContact CG2-OE2 3.3Å; T461-E464 WeakPolarHBondContact O-CB 3.43Å; T461-E464 PolarHBondContact O-N 2.94Å; E464-S466 VanDerWaalsContact C-N 3.33Å; E464-A467 PolarHBondContact O-N 3.33Å; E464-A468 WeakPolarHBondContact O-CB 3.48Å; E464-A468 PolarHBondContact O-N 3.16Å |
| 465 | K | 48.4 | Very low | 39.3 | Very low | 139 Ų | 139 | 113.5 Ų | 113.5 | 60% | 0.604 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.7 | -35.5 | 170.9 | -163.8 | 176.8 | -176.9 | -178.3 | 0 | 112.4 | T461 A469 | T461-K465 PolarHBondContact O-N 2.85Å; T461-K465 VanDerWaalsContact O-N 3.14Å; K465-A469 PolarHBondContact O-N 3.3Å; K465-A469 VanDerWaalsContact O-N 3.09Å |
| 466 | S | 41.9 | Very low | 39.7 | Very low | 67 Ų | 67 | 117.5 Ų | 117.5 | 47% | 0.469 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -73.4 | -33.6 | 174.1 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | D462 E463 E464 A469 T470 | D462-S466 WeakPolarHBondContact O-CB 3.46Å; D462-S466 PolarHBondContact O-N 3Å; D462-S466 PolarHBondContact O-OG 3.27Å; E463-S466 CarbonylContact O-C 3.6Å; E463-S466 PolarHBondContact O-N 3.29Å; E464-S466 VanDerWaalsContact C-N 3.33Å; S466-A469 PolarHBondContact O-N 3.25Å; S466-T470 PolarHBondContact O-N 2.94Å; S466-T470 PolarHBondContact O-OG1 3.08Å |
| 467 | A | 45.2 | Very low | 40.3 | Very low | 47 Ų | 47 | 117.6 Ų | 117.6 | 39% | 0.388 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.4 | -39.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E463 E464 A469 T470 C471 | E463-A467 WeakPolarHBondContact O-CB 2.97Å; E463-A467 PolarHBondContact O-N 3.08Å; E464-A467 PolarHBondContact O-N 3.33Å; A467-A469 VanDerWaalsContact C-N 3.34Å; A467-T470 WeakPolarHBondContact CA-OG1 3.45Å; A467-T470 PolarHBondContact O-N 2.87Å; A467-T470 PolarHBondContact O-OG1 3.16Å; A467-C471 WeakPolarHBondContact O-CB 3.43Å; A467-C471 PolarHBondContact O-N 2.84Å; A467-C471 PolarHBondContact O-SG 3.42Å |
| 468 | A | 41.1 | Very low | 41.2 | Very low | 67 Ų | 67 | 112.8 Ų | 112.8 | 55% | 0.554 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.1 | -39 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E464 S472 | E464-A468 WeakPolarHBondContact O-CB 3.48Å; E464-A468 PolarHBondContact O-N 3.16Å; A468-S472 PolarHBondContact O-N 3.27Å |
| 469 | A | 34.5 | Very low | 43.1 | Very low | 61 Ų | 61 | 107.3 Ų | 107.3 | 50% | 0.504 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.4 | -45.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K465 S466 A467 S472 | K465-A469 PolarHBondContact O-N 3.3Å; K465-A469 VanDerWaalsContact O-N 3.09Å; S466-A469 PolarHBondContact O-N 3.25Å; A467-A469 VanDerWaalsContact C-N 3.34Å; A469-S472 VanDerWaalsContact O-CB 3.28Å; A469-S472 WeakPolarHBondContact O-CB 3.34Å; A469-S472 PolarHBondContact O-N 3.02Å; A469-S472 VanDerWaalsContact O-N 3.08Å |
| 470 | T | 32 | Very low | 44.7 | Very low | 95 Ų | 95 | 100.9 Ų | 100.9 | 58% | 0.583 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -75 | -27.2 | -179.7 | 45.3 | 0 | 0 | 0 | 0 | 113.5 | S466 A467 S472 E473 | S466-T470 PolarHBondContact O-N 2.94Å; S466-T470 PolarHBondContact O-OG1 3.08Å; A467-T470 WeakPolarHBondContact CA-OG1 3.45Å; A467-T470 PolarHBondContact O-N 2.87Å; A467-T470 PolarHBondContact O-OG1 3.16Å; T470-S472 PolarHBondContact O-N 3.02Å; T470-E473 PolarHBondContact O-N 3.43Å |
| 471 | C | 30.6 | Very low | 46.4 | Very low | 103 Ų | 103 | 96.5 Ų | 96.5 | 70% | 0.696 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.1 | -16.8 | 166.2 | -68.5 | 0 | 0 | 0 | 0 | 113.1 | A467 E473 | A467-C471 WeakPolarHBondContact O-CB 3.43Å; A467-C471 PolarHBondContact O-N 2.84Å; A467-C471 PolarHBondContact O-SG 3.42Å; C471-E473 VanDerWaalsContact C-N 3.3Å |
| 472 | S | 31.9 | Very low | 47.6 | Very low | 91 Ų | 91 | 93 Ų | 93 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 0.4 | 174.5 | -166.2 | 0 | 0 | 0 | 0 | 113.7 | A468 A469 T470 S474 | A468-S472 PolarHBondContact O-N 3.27Å; A469-S472 VanDerWaalsContact O-CB 3.28Å; A469-S472 WeakPolarHBondContact O-CB 3.34Å; A469-S472 PolarHBondContact O-N 3.02Å; A469-S472 VanDerWaalsContact O-N 3.08Å; T470-S472 PolarHBondContact O-N 3.02Å; S472-S474 VanDerWaalsContact C-N 3.31Å |
| 473 | E | 26.7 | Very low | 49.3 | Very low | 166 Ų | 166 | 91.4 Ų | 91.4 | 78% | 0.776 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 19.6 | 172.2 | -63.8 | -162.5 | 147 | 0 | 0 | 113.3 | T470 C471 A475 | T470-E473 PolarHBondContact O-N 3.43Å; C471-E473 VanDerWaalsContact C-N 3.3Å; E473-A475 PolarHBondContact O-N 2.91Å; E473-A475 VanDerWaalsContact O-N 3.12Å |
| 474 | S | 28.8 | Very low | 50.2 | Low | 91 Ų | 91 | 84.9 Ų | 84.9 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -57.4 | 116.9 | 154.5 | 62.2 | 0 | 0 | 0 | 0 | 108.1 | S472 Q476 | S472-S474 VanDerWaalsContact C-N 3.31Å; S474-Q476 PolarHBondContact O-N 3.21Å; S474-Q476 VanDerWaalsContact O-N 3.13Å |
| 475 | A | 30.3 | Very low | 51.7 | Low | 73 Ų | 73 | 79.6 Ų | 79.6 | 60% | 0.603 | 46% | 0.458 | S | S | * | . | trans | -46 | 121.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E473 W477 | E473-A475 PolarHBondContact O-N 2.91Å; E473-A475 VanDerWaalsContact O-N 3.12Å; A475-W477 PolarHBondContact O-N 3.21Å | ||
| 476 | Q | 39.7 | Very low | 53.4 | Low | 198 Ų | 198 | 74.2 Ų | 74.2 | 93% | 0.925 | 43% | 0.434 | S | S | * | . | trans | -74.9 | 71.4 | -167.3 | -164.1 | 174.9 | 30 | 0 | 0 | 111.2 | S474 S478 | S474-Q476 PolarHBondContact O-N 3.21Å; S474-Q476 VanDerWaalsContact O-N 3.13Å; Q476-S478 PolarHBondContact O-N 2.79Å | ||
| 477 | W | 39.1 | Very low | 55.4 | Low | 200 Ų | 200 | 77.1 Ų | 77.1 | 76% | 0.758 | 44% | 0.44 | S | S | * | . | trans | -60.5 | 105.1 | 172.9 | -75 | -48.8 | 0 | 0 | 0 | 109.5 | A475 R479 | A475-W477 PolarHBondContact O-N 3.21Å; W477-R479 PolarHBondContact O-N 2.99Å | ||
| 478 | S | 54.9 | Low | 57.3 | Low | 60 Ų | 60 | 75.1 Ų | 75.1 | 42% | 0.42 | 42% | 0.423 | S | S | . | . | trans | -56 | 115.9 | 165.8 | 27.4 | 0 | 0 | 0 | 0 | 109.4 | D341 Q476 P480 | D341-S478 PolarHBondContact OD1-OG 2.94Å; Q476-S478 PolarHBondContact O-N 2.79Å; S478-P480 WeakPolarHBondContact O-CD 3.48Å | ||
| 479 | R | 73.3 | Confident | 59.5 | Low | 66 Ų | 66 | 72.2 Ų | 72.2 | 25% | 0.249 | 40% | 0.398 | C | S | . | . | trans | -114.4 | 57.8 | 175.6 | -65.8 | -176.8 | 178.5 | -151.3 | 2.9 | 109.4 | L338 N339 W477 F481 L482 D483 | L338-R479 WeakPolarHBondContact O-CD 3.35Å; L338-R479 PolarHBondContact O-NH1 3.44Å; N339-R479 PolarHBondContact OD1-NH1 3.32Å; N339-R479 PolarHBondContact OD1-NH2 2.91Å; W477-R479 PolarHBondContact O-N 2.99Å; R479-F481 PolarHBondContact O-N 3.18Å; R479-L482 HydrophobicContact CB-CB 4.12Å; R479-L482 PolarHBondContact O-N 3.07Å; R479-D483 PolarHBondContact N-OD2 3.31Å; R479-D483 VanDerWaalsContact O-CG 3.28Å; R479-D483 PolarHBondContact O-N 3.2Å; R479-D483 VanDerWaalsContact O-OD2 3.12Å | ||
| 480 | P | 75.7 | Confident | 61.6 | Low | 26 Ų | 26 | 71.2 Ų | 71.2 | 17% | 0.169 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -50 | -41 | -164.4 | 25.6 | -39.8 | 0 | 0 | 0 | 113.8 | G340 L342 S478 M484 | G340-P480 WeakPolarHBondContact O-CD 3.29Å; L342-P480 HydrophobicContact CD1-CB 4.45Å; L342-P480 HydrophobicContact CD2-CB 3.97Å; L342-P480 HydrophobicContact CD2-CG 3.65Å; L342-P480 HydrophobicContact CG-CB 4.16Å; L342-P480 HydrophobicContact CG-CG 3.83Å; S478-P480 WeakPolarHBondContact O-CD 3.48Å; P480-M484 WeakPolarHBondContact O-CB 3.32Å; P480-M484 PolarHBondContact O-N 2.99Å |
| 481 | F | 80.3 | Confident | 63.4 | Low | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.009 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.7 | -42.6 | -178.9 | -49.6 | -59.7 | 0 | 0 | 0 | 112 | V293 Y294 L296 E297 V336 I337 G340 L342 M345 R479 V485 | V293-F481 HydrophobicContact CG1-CD1 3.93Å; V293-F481 HydrophobicContact CG1-CD2 4.03Å; V293-F481 HydrophobicContact CG1-CE1 4.07Å; V293-F481 HydrophobicContact CG1-CE2 4.17Å; V293-F481 HydrophobicContact CG1-CG 3.91Å; V293-F481 HydrophobicContact CG1-CZ 4.19Å; V293-F481 WeakPolarHBondContact O-CE1 3.33Å; Y294-F481 HydrophobicContact CD1-CE1 4.25Å; Y294-F481 AromaticContact CD1-CZ 3.9Å; Y294-F481 HydrophobicContact CD1-CZ 3.9Å; Y294-F481 HydrophobicContact CE1-CZ 4.17Å; L296-F481 HydrophobicContact CB-CD1 4.06Å; L296-F481 HydrophobicContact CD1-CB 4.28Å; E297-F481 HydrophobicContact CB-CE1 4.48Å; V336-F481 WeakPolarHBondContact O-CD2 3.37Å; I337-F481 WeakPolarHBondContact O-CB 3.23Å; G340-F481 WeakPolarHBondContact O-CE2 3.43Å; L342-F481 HydrophobicContact CD2-CZ 4.16Å; M345-F481 HydrophobicContact SD-CZ 3.85Å; R479-F481 PolarHBondContact O-N 3.18Å; F481-V485 WeakPolarHBondContact O-CB 3.46Å; F481-V485 WeakPolarHBondContact O-CG2 3.49Å; F481-V485 PolarHBondContact O-N 2.98Å |
| 482 | L | 81.1 | Confident | 65 | Low | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.5 | -40.5 | 176.4 | -178.2 | 59 | 0 | 0 | 0 | 111.8 | I337 L338 R479 M484 V485 Y486 | I337-L482 PolarHBondContact O-N 3.49Å; L338-L482 HydrophobicContact CD2-CD1 3.91Å; R479-L482 HydrophobicContact CB-CB 4.12Å; R479-L482 PolarHBondContact O-N 3.07Å; L482-M484 VanDerWaalsContact C-N 3.34Å; L482-V485 PolarHBondContact O-N 3.27Å; L482-Y486 HydrophobicContact CD1-CD2 3.99Å; L482-Y486 HydrophobicContact CD1-CE1 4.34Å; L482-Y486 HydrophobicContact CD1-CE2 3.51Å; L482-Y486 HydrophobicContact CD2-CE2 4Å; L482-Y486 HydrophobicContact CG-CD2 3.89Å; L482-Y486 HydrophobicContact CG-CE2 3.55Å; L482-Y486 WeakPolarHBondContact O-CD2 3.34Å; L482-Y486 PolarHBondContact O-N 2.95Å |
| 483 | D | 82.7 | Confident | 66.6 | Low | 89 Ų | 89 | 69 Ų | 69 | 48% | 0.476 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 177.1 | -64.3 | -36.6 | 0 | 0 | 0 | 110.8 | R479 H487 | R479-D483 PolarHBondContact N-OD2 3.31Å; R479-D483 VanDerWaalsContact O-CG 3.28Å; R479-D483 PolarHBondContact O-N 3.2Å; R479-D483 VanDerWaalsContact O-OD2 3.12Å; D483-H487 WeakPolarHBondContact O-CB 3.4Å; D483-H487 PolarHBondContact O-N 3.47Å |
| 484 | M | 83.1 | Confident | 69.2 | Low | 20 Ų | 20 | 63.9 Ų | 63.9 | 10% | 0.099 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.6 | -47.7 | 171.4 | -171.9 | -67.2 | -54.7 | 0 | 0 | 111.6 | L296 L310 P480 L482 Y486 H487 A488 | L296-M484 HydrophobicContact CB-CE 3.67Å; L296-M484 HydrophobicContact CD2-CE 3.72Å; L296-M484 HydrophobicContact CG-CE 4.16Å; L296-M484 VanDerWaalsContact O-CG 3.31Å; L296-M484 WeakPolarHBondContact O-CG 3.4Å; L310-M484 HydrophobicContact CD1-CE 3.34Å; L310-M484 HydrophobicContact CD1-SD 3.56Å; L310-M484 VanDerWaalsContact CD1-SD 3.56Å; L310-M484 HydrophobicContact CD2-SD 3.66Å; L310-M484 HydrophobicContact CG-SD 4.27Å; P480-M484 WeakPolarHBondContact O-CB 3.32Å; P480-M484 PolarHBondContact O-N 2.99Å; L482-M484 VanDerWaalsContact C-N 3.34Å; M484-Y486 PolarHBondContact O-N 3.47Å; M484-H487 CarbonylContact O-C 3.57Å; M484-H487 WeakPolarHBondContact O-CA 3.42Å; M484-H487 WeakPolarHBondContact O-CB 3.25Å; M484-H487 PolarHBondContact O-N 2.96Å; M484-A488 WeakPolarHBondContact O-CB 3.49Å; M484-A488 PolarHBondContact O-N 3.16Å; M484-A488 HydrophobicContact SD-CB 4Å |
| 485 | V | 83.6 | Confident | 72.2 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -54.4 | -39.6 | 177.4 | 164 | 0 | 0 | 0 | 0 | 111 | L296 L314 F481 L482 V501 L504 | L296-V485 HydrophobicContact CD1-CG2 4.48Å; L314-V485 HydrophobicContact CD2-CG2 4.04Å; F481-V485 WeakPolarHBondContact O-CB 3.46Å; F481-V485 WeakPolarHBondContact O-CG2 3.49Å; F481-V485 PolarHBondContact O-N 2.98Å; L482-V485 PolarHBondContact O-N 3.27Å; V485-V501 HydrophobicContact CG1-CG1 3.61Å; V485-V501 HydrophobicContact CG1-CG2 4.35Å; V485-V501 WeakPolarHBondContact O-CG1 3.46Å; V485-V501 WeakPolarHBondContact O-CG2 3.46Å; V485-L504 HydrophobicContact CG2-CD2 4.38Å |
| 486 | Y | 84.1 | Confident | 75.1 | Confident | 25 Ų | 25 | 57.3 Ų | 57.3 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.3 | -39.5 | 173 | -73.8 | -39.2 | 0 | 0 | 0 | 113.8 | L482 M484 A488 L489 N536 L539 R542 | L482-Y486 HydrophobicContact CD1-CD2 3.99Å; L482-Y486 HydrophobicContact CD1-CE1 4.34Å; L482-Y486 HydrophobicContact CD1-CE2 3.51Å; L482-Y486 HydrophobicContact CD2-CE2 4Å; L482-Y486 HydrophobicContact CG-CD2 3.89Å; L482-Y486 HydrophobicContact CG-CE2 3.55Å; L482-Y486 WeakPolarHBondContact O-CD2 3.34Å; L482-Y486 PolarHBondContact O-N 2.95Å; M484-Y486 PolarHBondContact O-N 3.47Å; Y486-A488 VanDerWaalsContact C-N 3.26Å; Y486-A488 PolarHBondContact O-N 2.71Å; Y486-L489 HydrophobicContact CD1-CD1 4.38Å; Y486-L489 WeakPolarHBondContact O-CB 3.27Å; Y486-L489 PolarHBondContact O-N 3.09Å; Y486-L489 VanDerWaalsContact O-N 3.16Å; Y486-N536 PolarHBondContact OH-ND2 3.28Å; Y486-L539 HydrophobicContact CE1-CB 4.2Å; Y486-L539 HydrophobicContact CE1-CD1 4.2Å; Y486-R542 PolarHBondContact O-NE 3.08Å |
| 487 | H | 84.8 | Confident | 77.6 | Confident | 129 Ų | 129 | 50.2 Ų | 50.2 | 60% | 0.597 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.3 | -32.4 | 173.8 | -176.9 | -68.1 | 0 | 0 | 0 | 112.4 | D483 M484 L489 D490 | D483-H487 WeakPolarHBondContact O-CB 3.4Å; D483-H487 PolarHBondContact O-N 3.47Å; M484-H487 CarbonylContact O-C 3.57Å; M484-H487 WeakPolarHBondContact O-CA 3.42Å; M484-H487 WeakPolarHBondContact O-CB 3.25Å; M484-H487 PolarHBondContact O-N 2.96Å; H487-L489 PolarHBondContact O-N 3Å; H487-D490 WeakPolarHBondContact O-CB 3.24Å; H487-D490 PolarHBondContact O-N 3.27Å |
| 488 | A | 85.1 | Confident | 80.2 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -9.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | M484 Y486 H497 A498 V501 | M484-A488 WeakPolarHBondContact O-CB 3.49Å; M484-A488 PolarHBondContact O-N 3.16Å; M484-A488 HydrophobicContact SD-CB 4Å; Y486-A488 VanDerWaalsContact C-N 3.26Å; Y486-A488 PolarHBondContact O-N 2.71Å; A488-H497 HydrophobicContact CB-CB 4.13Å; A488-A498 WeakPolarHBondContact O-CA 3.42Å; A488-A498 PolarHBondContact O-N 2.75Å; A488-V501 HydrophobicContact CB-CG2 3.7Å |
| 489 | L | 86.4 | Confident | 82.1 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -17.8 | 166.1 | -67.7 | 167.1 | 0 | 0 | 0 | 113 | Y486 H487 S491 A498 V501 L502 L505 L539 R542 I546 | Y486-L489 HydrophobicContact CD1-CD1 4.38Å; Y486-L489 WeakPolarHBondContact O-CB 3.27Å; Y486-L489 PolarHBondContact O-N 3.09Å; Y486-L489 VanDerWaalsContact O-N 3.16Å; H487-L489 PolarHBondContact O-N 3Å; L489-S491 VanDerWaalsContact C-N 3.3Å; L489-S491 PolarHBondContact O-N 3.11Å; L489-A498 HydrophobicContact CD2-CB 4.26Å; L489-V501 HydrophobicContact CD1-CG1 3.76Å; L489-V501 HydrophobicContact CD2-CB 3.81Å; L489-V501 HydrophobicContact CD2-CG1 3.71Å; L489-V501 HydrophobicContact CG-CB 4.01Å; L489-V501 HydrophobicContact CG-CG1 3.58Å; L489-L502 HydrophobicContact CD2-CD2 3.87Å; L489-L502 HydrophobicContact CD2-CG 3.88Å; L489-L505 HydrophobicContact CD1-CD1 4.38Å; L489-L539 HydrophobicContact CD1-CD1 3.73Å; L489-R542 HydrophobicContact CB-CB 4.29Å; L489-R542 HydrophobicContact CD1-CB 4.39Å; L489-I546 HydrophobicContact CD2-CD1 3.95Å |
| 490 | D | 79.4 | Confident | 83.2 | Confident | 40 Ų | 40 | 35 Ų | 35 | 21% | 0.214 | 19% | 0.188 | C | C | . | . | trans | -88 | 7.5 | -175.5 | -77.7 | -45.9 | 0 | 0 | 0 | 113.5 | H487 P492 R542 R545 | H487-D490 WeakPolarHBondContact O-CB 3.24Å; H487-D490 PolarHBondContact O-N 3.27Å; D490-P492 WeakPolarHBondContact O-CD 3.48Å; D490-R542 IonicContact OD1-NE 3.65Å; D490-R542 IonicContact OD2-CZ 2.61Å; D490-R542 VanDerWaalsContact OD2-CZ 3.24Å; D490-R542 IonicContact OD2-NE 2.72Å; D490-R542 PolarHBondContact OD2-NE 2.85Å; D490-R542 IonicContact OD2-NH2 3.32Å; D490-R542 PolarHBondContact OD2-NH2 3.09Å; D490-R545 IonicContact OD1-CZ 2.67Å; D490-R545 IonicContact OD1-NE 3.95Å; D490-R545 IonicContact OD1-NH1 3.95Å; D490-R545 PolarHBondContact OD1-NH1 3.37Å | ||
| 491 | S | 69.2 | Low | 84 | Confident | 30 Ų | 30 | 33.7 Ų | 33.7 | 21% | 0.21 | 18% | 0.18 | C | C | . | . | trans | -57.4 | 118.3 | 176.7 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | L489 | L489-S491 VanDerWaalsContact C-N 3.3Å; L489-S491 PolarHBondContact O-N 3.11Å | ||
| 492 | P | 64.3 | Low | 84.7 | Confident | 107 Ų | 107 | 33.6 Ų | 33.6 | 70% | 0.695 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -84.1 | -23.8 | -180 | 33.1 | -34.5 | 0 | 0 | 0 | 112.8 | D490 | D490-P492 WeakPolarHBondContact O-CD 3.48Š|
| 493 | D | 66.1 | Low | 85.4 | Confident | 106 Ų | 106 | 33.2 Ų | 33.2 | 57% | 0.567 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -95.3 | -18.5 | -166.7 | -81.9 | -64.3 | 0 | 0 | 0 | 115.4 | K556 | D493-K556 WeakPolarHBondContact O-CD 3.26Å; D493-K556 WeakPolarHBondContact O-CE 3.46Å; D493-K556 PolarHBondContact O-NZ 3.28Å; D493-K556 IonicContact OD1-NZ 3.95Å |
| 494 | D | 82.1 | Confident | 85.9 | Confident | 58 Ų | 58 | 29 Ų | 29 | 31% | 0.31 | 16% | 0.155 | S | C | . | . | trans | -164.7 | 180 | 173.9 | 64.8 | 60.5 | 0 | 0 | 0 | 110.5 | Y496 | D494-Y496 WeakPolarHBondContact OD1-CB 3.49Å; D494-Y496 PolarHBondContact OD1-N 3.04Å | ||
| 495 | D | 91.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -113.2 | 18.7 | 176.9 | 77.1 | -8.5 | 0 | 0 | 0 | 113.9 | A498 L499 I557 R558 T561 | D495-A498 HydrophobicContact CB-CB 4.44Å; D495-A498 PolarHBondContact O-N 3.38Å; D495-L499 PolarHBondContact O-N 2.7Å; D495-I557 HydrophobicContact CB-CD1 3.89Å; D495-I557 HydrophobicContact CB-CG2 4.42Å; D495-R558 PolarHBondContact O-NH2 2.98Å; D495-R558 VanDerWaalsContact O-NH2 3.07Å; D495-R558 IonicContact OD1-CZ 3.04Å; D495-R558 VanDerWaalsContact OD1-CZ 3.27Å; D495-R558 IonicContact OD1-NE 2.74Å; D495-R558 PolarHBondContact OD1-NE 3.37Å; D495-R558 IonicContact OD1-NH2 2.66Å; D495-R558 PolarHBondContact OD1-NH2 2.66Å; D495-R558 VanDerWaalsContact OD2-CB 3.25Å; D495-R558 WeakPolarHBondContact OD2-CB 3.5Å; D495-R558 WeakPolarHBondContact OD2-CG 3.4Å; D495-R558 PolarHBondContact OD2-N 3.12Å; D495-R558 IonicContact OD2-NE 3.18Å; D495-R558 PolarHBondContact OD2-NE 3.44Å; D495-T561 HydrophobicContact CB-CG2 3.96Å; D495-T561 VanDerWaalsContact OD2-CB 3.24Å; D495-T561 WeakPolarHBondContact OD2-CB 3.29Å; D495-T561 PolarHBondContact OD2-OG1 3.47Å |
| 496 | Y | 91 | Very high | 86.8 | Confident | 26 Ų | 26 | 30.1 Ų | 30.1 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63 | -54.4 | -168.3 | -179.5 | -139.3 | 0 | 0 | 0 | 111.2 | P311 D494 F500 L638 P641 | P311-Y496 HydrophobicContact CB-CE1 4.06Å; P311-Y496 HydrophobicContact CB-CE2 4.33Å; P311-Y496 HydrophobicContact CG-CD1 4.1Å; P311-Y496 HydrophobicContact CG-CE1 3.4Å; D494-Y496 WeakPolarHBondContact OD1-CB 3.49Å; D494-Y496 PolarHBondContact OD1-N 3.04Å; Y496-F500 HydrophobicContact CD2-CE2 4.16Å; Y496-F500 AromaticContact CE2-CE2 3.94Å; Y496-F500 HydrophobicContact CE2-CE2 3.94Å; Y496-F500 WeakPolarHBondContact O-CD2 3.49Å; Y496-F500 WeakPolarHBondContact O-CE2 3.15Å; Y496-L638 PolarHBondContact OH-O 3.11Å; Y496-P641 HydrophobicContact CD2-CG 4.34Å |
| 497 | H | 91.9 | Very high | 87.3 | Confident | 49 Ų | 49 | 29 Ų | 29 | 23% | 0.227 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.7 | -38.8 | 174.4 | -55.9 | 97.6 | 0 | 0 | 0 | 112.2 | A488 L499 F500 V501 | A488-H497 HydrophobicContact CB-CB 4.13Å; H497-L499 VanDerWaalsContact C-N 3.31Å; H497-L499 PolarHBondContact O-N 2.08Å; H497-F500 PolarHBondContact O-N 2.9Å; H497-F500 VanDerWaalsContact O-N 3.09Å; H497-V501 PolarHBondContact O-N 3.4Å; H497-V501 VanDerWaalsContact O-N 3.11Å |
| 498 | A | 93.8 | Very high | 87.6 | Confident | 4 Ų | 4 | 22.9 Ų | 22.9 | 3% | 0.033 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58 | -41.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | A488 L489 D495 F500 V501 L502 I546 | A488-A498 WeakPolarHBondContact O-CA 3.42Å; A488-A498 PolarHBondContact O-N 2.75Å; L489-A498 HydrophobicContact CD2-CB 4.26Å; D495-A498 HydrophobicContact CB-CB 4.44Å; D495-A498 PolarHBondContact O-N 3.38Å; A498-F500 VanDerWaalsContact C-N 3.32Å; A498-F500 PolarHBondContact O-N 3.31Å; A498-V501 PolarHBondContact O-N 3.4Å; A498-L502 WeakPolarHBondContact O-CG 3.39Å; A498-L502 PolarHBondContact O-N 3Å; A498-I546 HydrophobicContact CB-CD1 4.34Å |
| 499 | L | 95.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.6 | -44.2 | 176.5 | -178.5 | 61.6 | 0 | 0 | 0 | 112.3 | D495 H497 L502 C503 A560 L631 I637 | D495-L499 PolarHBondContact O-N 2.7Å; H497-L499 VanDerWaalsContact C-N 3.31Å; H497-L499 PolarHBondContact O-N 2.08Å; L499-L502 PolarHBondContact O-N 2.81Å; L499-C503 PolarHBondContact O-N 2.91Å; L499-C503 PolarHBondContact O-SG 2.75Å; L499-C503 VanDerWaalsContact O-SG 3.34Å; L499-A560 HydrophobicContact CD1-CB 4.36Å; L499-L631 HydrophobicContact CD1-CD2 4.24Å; L499-I637 HydrophobicContact CD2-CB 4.43Å |
| 500 | F | 95.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.5 | -33.3 | -179.1 | -61 | -64.2 | 0 | 0 | 0 | 113.1 | P311 L314 Y315 S318 Y496 H497 A498 C503 L504 I637 L638 | P311-F500 HydrophobicContact CB-CD2 4.07Å; P311-F500 HydrophobicContact CB-CE2 3.93Å; L314-F500 HydrophobicContact CB-CB 3.53Å; L314-F500 HydrophobicContact CB-CG 4.5Å; L314-F500 HydrophobicContact CD1-CB 4.18Å; Y315-F500 HydrophobicContact CD2-CD1 4.09Å; Y315-F500 AromaticContact CD2-CE1 3.68Å; Y315-F500 HydrophobicContact CD2-CE1 3.68Å; Y315-F500 HydrophobicContact CG-CE1 4.31Å; S318-F500 PolarHBondContact OG-O 3.34Å; Y496-F500 HydrophobicContact CD2-CE2 4.16Å; Y496-F500 AromaticContact CE2-CE2 3.94Å; Y496-F500 HydrophobicContact CE2-CE2 3.94Å; Y496-F500 WeakPolarHBondContact O-CD2 3.49Å; Y496-F500 WeakPolarHBondContact O-CE2 3.15Å; H497-F500 PolarHBondContact O-N 2.9Å; H497-F500 VanDerWaalsContact O-N 3.09Å; A498-F500 VanDerWaalsContact C-N 3.32Å; A498-F500 PolarHBondContact O-N 3.31Å; F500-C503 PolarHBondContact O-N 3.2Å; F500-L504 WeakPolarHBondContact O-CB 3.4Å; F500-L504 PolarHBondContact O-N 2.91Å; F500-I637 HydrophobicContact CE1-CD1 3.7Å; F500-I637 HydrophobicContact CE1-CG1 3.77Å; F500-I637 HydrophobicContact CZ-CD1 4.41Å; F500-I637 HydrophobicContact CZ-CG1 4.04Å; F500-I637 VanDerWaalsContact CZ-O 3.27Å; F500-I637 WeakPolarHBondContact CZ-O 3.43Å; F500-L638 HydrophobicContact CE1-CD2 4.15Å; F500-L638 HydrophobicContact CZ-CD2 3.84Å; F500-L638 HydrophobicContact CZ-CG 4.35Å |
| 501 | V | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 169.6 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | L314 V485 A488 L489 H497 A498 C503 L504 L505 | L314-V501 HydrophobicContact CD1-CG2 3.87Å; L314-V501 HydrophobicContact CD2-CG2 4.2Å; V485-V501 HydrophobicContact CG1-CG1 3.61Å; V485-V501 HydrophobicContact CG1-CG2 4.35Å; V485-V501 WeakPolarHBondContact O-CG1 3.46Å; V485-V501 WeakPolarHBondContact O-CG2 3.46Å; A488-V501 HydrophobicContact CB-CG2 3.7Å; L489-V501 HydrophobicContact CD1-CG1 3.76Å; L489-V501 HydrophobicContact CD2-CB 3.81Å; L489-V501 HydrophobicContact CD2-CG1 3.71Å; L489-V501 HydrophobicContact CG-CB 4.01Å; L489-V501 HydrophobicContact CG-CG1 3.58Å; H497-V501 PolarHBondContact O-N 3.4Å; H497-V501 VanDerWaalsContact O-N 3.11Å; A498-V501 PolarHBondContact O-N 3.4Å; V501-C503 VanDerWaalsContact C-N 3.31Å; V501-C503 PolarHBondContact O-N 2.88Å; V501-L504 WeakPolarHBondContact O-CB 3.47Å; V501-L504 PolarHBondContact O-N 3.22Å; V501-L504 VanDerWaalsContact O-N 3.11Å; V501-L505 HydrophobicContact CG1-CD1 3.81Å; V501-L505 HydrophobicContact CG1-CG 4.1Å; V501-L505 WeakPolarHBondContact O-CG 3.15Å; V501-L505 PolarHBondContact O-N 3.18Å |
| 502 | L | 94.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 178.2 | -64.1 | 168 | 0 | 0 | 0 | 111.3 | L489 A498 L499 L504 Y506 L543 I546 T561 L564 S565 L568 | L489-L502 HydrophobicContact CD2-CD2 3.87Å; L489-L502 HydrophobicContact CD2-CG 3.88Å; A498-L502 WeakPolarHBondContact O-CG 3.39Å; A498-L502 PolarHBondContact O-N 3Å; L499-L502 PolarHBondContact O-N 2.81Å; L502-L504 PolarHBondContact O-N 3.39Å; L502-Y506 VanDerWaalsContact O-CB 3.29Å; L502-Y506 WeakPolarHBondContact O-CB 3.29Å; L502-Y506 PolarHBondContact O-N 2.98Å; L502-L543 HydrophobicContact CD2-CD2 3.35Å; L502-I546 HydrophobicContact CD1-CD1 4.3Å; L502-T561 HydrophobicContact CD1-CG2 3.57Å; L502-L564 HydrophobicContact CB-CB 4.42Å; L502-L564 HydrophobicContact CB-CD2 3.59Å; L502-L564 HydrophobicContact CB-CG 3.84Å; L502-S565 VanDerWaalsContact CD1-OG 3.27Å; L502-S565 WeakPolarHBondContact CD1-OG 3.4Å; L502-L568 HydrophobicContact CB-CD1 4.02Å; L502-L568 HydrophobicContact CD2-CD1 3.69Å; L502-L568 HydrophobicContact CG-CD1 4.46Å |
| 503 | C | 95.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.3 | -40.5 | 171.9 | -70.9 | 0 | 0 | 0 | 0 | 112.5 | L499 F500 V501 Y506 A507 M632 | L499-C503 PolarHBondContact O-N 2.91Å; L499-C503 PolarHBondContact O-SG 2.75Å; L499-C503 VanDerWaalsContact O-SG 3.34Å; F500-C503 PolarHBondContact O-N 3.2Å; V501-C503 VanDerWaalsContact C-N 3.31Å; V501-C503 PolarHBondContact O-N 2.88Å; C503-Y506 PolarHBondContact O-N 2.84Å; C503-A507 VanDerWaalsContact O-CB 3.27Å; C503-A507 WeakPolarHBondContact O-CB 3.42Å; C503-A507 PolarHBondContact O-N 3.37Å; C503-M632 HydrophobicContact CB-CG 4.39Å; C503-M632 HydrophobicContact CB-SD 3.68Å; C503-M632 VanDerWaalsContact SG-SD 3.64Å |
| 504 | L | 93.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.8 | -47.4 | 178.3 | 179.9 | 59.1 | 0 | 0 | 0 | 111.7 | L314 L317 S318 F321 V485 F500 V501 L502 Y506 A507 M508 | L314-L504 HydrophobicContact CD2-CD2 3.99Å; L317-L504 HydrophobicContact CB-CD1 3.89Å; S318-L504 VanDerWaalsContact OG-CA 3.25Å; S318-L504 WeakPolarHBondContact OG-CA 3.2Å; S318-L504 WeakPolarHBondContact OG-CB 3.4Å; S318-L504 PolarHBondContact OG-N 3.26Å; S318-L504 VanDerWaalsContact OG-N 3.09Å; F321-L504 HydrophobicContact CD2-CD1 3.63Å; F321-L504 HydrophobicContact CE2-CD1 4.05Å; V485-L504 HydrophobicContact CG2-CD2 4.38Å; F500-L504 WeakPolarHBondContact O-CB 3.4Å; F500-L504 PolarHBondContact O-N 2.91Å; V501-L504 WeakPolarHBondContact O-CB 3.47Å; V501-L504 PolarHBondContact O-N 3.22Å; V501-L504 VanDerWaalsContact O-N 3.11Å; L502-L504 PolarHBondContact O-N 3.39Å; L504-Y506 VanDerWaalsContact C-N 3.31Å; L504-Y506 PolarHBondContact O-N 3.3Å; L504-A507 PolarHBondContact O-N 2.97Å; L504-M508 HydrophobicContact CD1-CG 4.16Å; L504-M508 HydrophobicContact CD1-SD 3.88Å; L504-M508 HydrophobicContact CG-SD 3.93Å; L504-M508 WeakPolarHBondContact O-CB 3.17Å; L504-M508 VanDerWaalsContact O-CG 3.27Å; L504-M508 WeakPolarHBondContact O-CG 3.27Å; L504-M508 PolarHBondContact O-N 3.33Å |
| 505 | L | 91.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66 | -34.2 | 178.3 | -61.8 | 177.1 | 0 | 0 | 0 | 111.8 | L489 V501 S509 L524 L539 L568 | L489-L505 HydrophobicContact CD1-CD1 4.38Å; V501-L505 HydrophobicContact CG1-CD1 3.81Å; V501-L505 HydrophobicContact CG1-CG 4.1Å; V501-L505 WeakPolarHBondContact O-CG 3.15Å; V501-L505 PolarHBondContact O-N 3.18Å; L505-S509 WeakPolarHBondContact O-CB 3.44Å; L505-S509 PolarHBondContact O-N 3.4Å; L505-S509 VanDerWaalsContact O-N 3.15Å; L505-S509 PolarHBondContact O-OG 3.27Å; L505-L524 HydrophobicContact CD2-CD1 4.37Å; L505-L524 HydrophobicContact CD2-CD2 4.19Å; L505-L539 HydrophobicContact CD1-CD1 3.71Å; L505-L539 HydrophobicContact CD1-CD2 4.02Å; L505-L568 HydrophobicContact CB-CD1 4.45Å |
| 506 | Y | 93.1 | Very high | 91.1 | Very high | 41 Ų | 41 | 25.8 Ų | 25.8 | 16% | 0.161 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65 | -50.5 | 169.6 | 179.9 | -87.4 | 0 | 0 | 0 | 111.6 | L322 L502 C503 L504 M508 S509 H510 L564 L567 V628 | L322-Y506 HydrophobicContact CD2-CD1 4.27Å; L322-Y506 HydrophobicContact CD2-CE1 4.3Å; L502-Y506 VanDerWaalsContact O-CB 3.29Å; L502-Y506 WeakPolarHBondContact O-CB 3.29Å; L502-Y506 PolarHBondContact O-N 2.98Å; C503-Y506 PolarHBondContact O-N 2.84Å; L504-Y506 VanDerWaalsContact C-N 3.31Å; L504-Y506 PolarHBondContact O-N 3.3Å; Y506-M508 PolarHBondContact O-N 3.2Å; Y506-S509 WeakPolarHBondContact CA-OG 3.37Å; Y506-S509 PolarHBondContact O-N 3.09Å; Y506-S509 PolarHBondContact O-OG 3.43Å; Y506-H510 AromaticContact CD2-CE1 3.36Å; Y506-H510 WeakPolarHBondContact CD2-CE1 3.4Å; Y506-H510 AromaticContact CD2-ND1 3.66Å; Y506-H510 AromaticContact CE2-CE1 3.17Å; Y506-H510 WeakPolarHBondContact CE2-CE1 3.31Å; Y506-H510 AromaticContact CE2-ND1 3.63Å; Y506-H510 AromaticContact CE2-NE2 3.42Å; Y506-H510 WeakPolarHBondContact CE2-NE2 3.32Å; Y506-H510 AromaticContact CG-ND1 3.88Å; Y506-H510 AromaticContact CZ-CD2 3.82Å; Y506-H510 AromaticContact CZ-CE1 3.7Å; Y506-H510 AromaticContact CZ-CG 3.88Å; Y506-H510 AromaticContact CZ-ND1 3.8Å; Y506-H510 AromaticContact CZ-NE2 3.71Å; Y506-H510 PolarHBondContact O-N 3.27Å; Y506-H510 PolarHBondContact O-ND1 2.89Å; Y506-L564 HydrophobicContact CD2-CD1 3.86Å; Y506-L564 HydrophobicContact CG-CD1 4.12Å; Y506-L567 HydrophobicContact CD2-CD2 3.68Å; Y506-L567 HydrophobicContact CE2-CD1 4.34Å; Y506-L567 HydrophobicContact CE2-CD2 3.68Å; Y506-V628 HydrophobicContact CD1-CB 3.72Å; Y506-V628 HydrophobicContact CD1-CG1 3.67Å; Y506-V628 HydrophobicContact CD1-CG2 3.79Å; Y506-V628 HydrophobicContact CD2-CG2 4.09Å; Y506-V628 HydrophobicContact CE1-CB 3.59Å; Y506-V628 HydrophobicContact CE1-CG1 4.07Å; Y506-V628 HydrophobicContact CE1-CG2 3.69Å; Y506-V628 HydrophobicContact CE2-CG2 3.97Å; Y506-V628 HydrophobicContact CG-CB 4.39Å; Y506-V628 HydrophobicContact CG-CG1 4.25Å; Y506-V628 HydrophobicContact CG-CG2 4Å |
| 507 | A | 93.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.9 | -48.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F321 L322 C503 L504 S509 H510 N511 | F321-A507 HydrophobicContact CB-CB 3.61Å; L322-A507 HydrophobicContact CD2-CB 3.86Å; L322-A507 HydrophobicContact CG-CB 3.72Å; C503-A507 VanDerWaalsContact O-CB 3.27Å; C503-A507 WeakPolarHBondContact O-CB 3.42Å; C503-A507 PolarHBondContact O-N 3.37Å; L504-A507 PolarHBondContact O-N 2.97Å; A507-S509 PolarHBondContact O-N 3.49Å; A507-H510 PolarHBondContact O-N 2.96Å; A507-N511 WeakPolarHBondContact O-CB 3.27Å; A507-N511 PolarHBondContact O-N 3.18Å |
| 508 | M | 91.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.1 | -37.5 | 178 | -66.1 | 174.2 | 77.6 | 0 | 0 | 112.7 | F321 A334 L338 L504 Y506 I514 | F321-M508 HydrophobicContact CB-CG 4.27Å; F321-M508 HydrophobicContact CD1-CG 4.08Å; F321-M508 HydrophobicContact CD2-CG 3.61Å; F321-M508 HydrophobicContact CD2-SD 4.27Å; F321-M508 HydrophobicContact CE1-CG 4.27Å; F321-M508 HydrophobicContact CE2-CE 4.29Å; F321-M508 HydrophobicContact CE2-CG 3.84Å; F321-M508 HydrophobicContact CE2-SD 4.02Å; F321-M508 HydrophobicContact CG-CG 3.74Å; F321-M508 HydrophobicContact CZ-CE 4.14Å; F321-M508 HydrophobicContact CZ-CG 4.16Å; F321-M508 HydrophobicContact CZ-SD 4.43Å; A334-M508 HydrophobicContact CB-CE 3.89Å; L338-M508 HydrophobicContact CD1-CE 3.69Å; L338-M508 HydrophobicContact CD2-CE 4.14Å; L338-M508 HydrophobicContact CG-CE 4.08Å; L504-M508 HydrophobicContact CD1-CG 4.16Å; L504-M508 HydrophobicContact CD1-SD 3.88Å; L504-M508 HydrophobicContact CG-SD 3.93Å; L504-M508 WeakPolarHBondContact O-CB 3.17Å; L504-M508 VanDerWaalsContact O-CG 3.27Å; L504-M508 WeakPolarHBondContact O-CG 3.27Å; L504-M508 PolarHBondContact O-N 3.33Å; Y506-M508 PolarHBondContact O-N 3.2Å; M508-I514 HydrophobicContact CB-CD1 4.17Å; M508-I514 HydrophobicContact CG-CD1 4.43Å |
| 509 | S | 87.9 | Confident | 88.6 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -74 | -20.7 | 177.3 | 48.5 | 0 | 0 | 0 | 0 | 114.2 | L505 Y506 A507 P525 P527 | L505-S509 WeakPolarHBondContact O-CB 3.44Å; L505-S509 PolarHBondContact O-N 3.4Å; L505-S509 VanDerWaalsContact O-N 3.15Å; L505-S509 PolarHBondContact O-OG 3.27Å; Y506-S509 WeakPolarHBondContact CA-OG 3.37Å; Y506-S509 PolarHBondContact O-N 3.09Å; Y506-S509 PolarHBondContact O-OG 3.43Å; A507-S509 PolarHBondContact O-N 3.49Å; S509-P525 VanDerWaalsContact CB-O 3.3Å; S509-P525 WeakPolarHBondContact CB-O 3.39Å; S509-P527 WeakPolarHBondContact O-CD 3.49Å; S509-P527 WeakPolarHBondContact O-CG 3.19Å |
| 510 | H | 89.1 | Confident | 87.5 | Confident | 60 Ų | 60 | 35.5 Ų | 35.5 | 28% | 0.278 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -103.5 | -10 | -179.7 | -63.8 | 69.7 | 0 | 0 | 0 | 113.6 | Y506 A507 K512 Q571 | Y506-H510 AromaticContact CD2-CE1 3.36Å; Y506-H510 WeakPolarHBondContact CD2-CE1 3.4Å; Y506-H510 AromaticContact CD2-ND1 3.66Å; Y506-H510 AromaticContact CE2-CE1 3.17Å; Y506-H510 WeakPolarHBondContact CE2-CE1 3.31Å; Y506-H510 AromaticContact CE2-ND1 3.63Å; Y506-H510 AromaticContact CE2-NE2 3.42Å; Y506-H510 WeakPolarHBondContact CE2-NE2 3.32Å; Y506-H510 AromaticContact CG-ND1 3.88Å; Y506-H510 AromaticContact CZ-CD2 3.82Å; Y506-H510 AromaticContact CZ-CE1 3.7Å; Y506-H510 AromaticContact CZ-CG 3.88Å; Y506-H510 AromaticContact CZ-ND1 3.8Å; Y506-H510 AromaticContact CZ-NE2 3.71Å; Y506-H510 PolarHBondContact O-N 3.27Å; Y506-H510 PolarHBondContact O-ND1 2.89Å; A507-H510 PolarHBondContact O-N 2.96Å; H510-K512 PolarHBondContact O-N 2.94Å; H510-Q571 PolarHBondContact CE1-NE2 3Å; H510-Q571 VanDerWaalsContact CE1-NE2 3.29Å; H510-Q571 PolarHBondContact CE1-OE1 2.75Å; H510-Q571 VanDerWaalsContact CE1-OE1 3.28Å; H510-Q571 PolarHBondContact NE2-NE2 2.78Å |
| 511 | N | 91.6 | Very high | 86.1 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.032 | 20% | 0.201 | C | C | . | . | trans | -68.9 | 111.2 | 179.1 | -169.5 | -59 | 0 | 0 | 0 | 111.8 | F321 I324 A507 G513 I514 | F321-N511 PolarHBondContact O-ND2 2.6Å; I324-N511 PolarHBondContact O-ND2 3.41Å; A507-N511 WeakPolarHBondContact O-CB 3.27Å; A507-N511 PolarHBondContact O-N 3.18Å; N511-G513 PolarHBondContact O-N 3Å; N511-G513 VanDerWaalsContact O-N 3.09Å; N511-G513 WeakPolarHBondContact OD1-CA 3.47Å; N511-G513 PolarHBondContact OD1-N 2.92Å; N511-I514 HydrophobicContact CB-CD1 4.07Å; N511-I514 HydrophobicContact CB-CG1 4.06Å; N511-I514 PolarHBondContact O-N 3.3Å | ||
| 512 | K | 89.3 | Confident | 84.6 | Confident | 190 Ų | 190 | 43.8 Ų | 43.8 | 83% | 0.826 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -8.7 | -178.4 | -51.1 | 174.3 | -176.6 | 171.4 | 0 | 114.6 | H510 | H510-K512 PolarHBondContact O-N 2.94Š|
| 513 | G | 87.1 | Confident | 83.2 | Confident | 7 Ų | 7 | 48 Ų | 48 | 7% | 0.072 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -10.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | A327 V330 N331 N511 | A327-G513 VanDerWaalsContact CA-O 3.23Å; A327-G513 WeakPolarHBondContact CA-O 3.4Å; A327-G513 WeakPolarHBondContact CB-O 3.44Å; V330-G513 VanDerWaalsContact CG2-C 3.5Å; V330-G513 WeakPolarHBondContact CG2-O 3Å; N331-G513 PolarHBondContact ND2-O 3.29Å; N511-G513 PolarHBondContact O-N 3Å; N511-G513 VanDerWaalsContact O-N 3.09Å; N511-G513 WeakPolarHBondContact OD1-CA 3.47Å; N511-G513 PolarHBondContact OD1-N 2.92Å |
| 514 | I | 87.4 | Confident | 82 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 6% | 0.056 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -84.5 | 133.8 | 177.5 | -58.1 | -177.9 | 0 | 0 | 0 | 110.2 | F321 V330 N331 A334 M508 N511 K518 L519 | F321-I514 HydrophobicContact CD1-CD1 3.79Å; F321-I514 HydrophobicContact CE1-CD1 3.72Å; V330-I514 HydrophobicContact CB-CG1 4.08Å; V330-I514 HydrophobicContact CG2-CG1 3.8Å; N331-I514 WeakPolarHBondContact OD1-CA 3.36Å; A334-I514 HydrophobicContact CB-CD1 4.37Å; M508-I514 HydrophobicContact CB-CD1 4.17Å; M508-I514 HydrophobicContact CG-CD1 4.43Å; N511-I514 HydrophobicContact CB-CD1 4.07Å; N511-I514 HydrophobicContact CB-CG1 4.06Å; N511-I514 PolarHBondContact O-N 3.3Å; I514-K518 HydrophobicContact CG2-CB 4.41Å; I514-L519 HydrophobicContact CG2-CD1 4.38Å; I514-L519 HydrophobicContact CG2-CD2 4.02Å; I514-L519 HydrophobicContact CG2-CG 3.84Å |
| 515 | D | 84.6 | Confident | 80.4 | Confident | 65 Ų | 65 | 48.6 Ų | 48.6 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | trans | -62.1 | 129.3 | 178.7 | -56.2 | -31.5 | 0 | 0 | 0 | 110.5 | N331 E517 K518 L519 | N331-D515 VanDerWaalsContact CG-CG 3.4Å; N331-D515 PolarHBondContact ND2-OD1 2.67Å; N331-D515 PolarHBondContact ND2-OD2 2.65Å; N331-D515 VanDerWaalsContact ND2-OD2 3.15Å; N331-D515 VanDerWaalsContact OD1-CG 3.3Å; N331-D515 PolarHBondContact OD1-N 2.89Å; N331-D515 PolarHBondContact OD1-OD2 2.86Å; D515-E517 VanDerWaalsContact C-N 3.26Å; D515-E517 PolarHBondContact O-N 2.86Å; D515-K518 HydrophobicContact CB-CB 4.35Å; D515-K518 HydrophobicContact CB-CD 4.4Å; D515-K518 HydrophobicContact CB-CG 4.06Å; D515-K518 WeakPolarHBondContact O-CB 3.48Å; D515-K518 PolarHBondContact O-N 3.09Å; D515-K518 VanDerWaalsContact OD2-CE 3.26Å; D515-K518 WeakPolarHBondContact OD2-CE 3.39Å; D515-L519 PolarHBondContact O-N 3.01Å | ||
| 516 | P | 80.5 | Confident | 79 | Confident | 73 Ų | 73 | 49.2 Ų | 49.2 | 47% | 0.474 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -53.4 | -41 | 176.9 | -30 | 36.8 | 0 | 0 | 0 | 113.3 | K518 L519 E520 V526 | P516-K518 PolarHBondContact O-N 2.96Å; P516-L519 PolarHBondContact O-N 3.3Å; P516-L519 VanDerWaalsContact O-N 3.11Å; P516-E520 WeakPolarHBondContact O-CG 3.36Å; P516-E520 PolarHBondContact O-N 3.23Å; P516-V526 HydrophobicContact CB-CG1 4.18Å; P516-V526 HydrophobicContact CB-CG2 4.41Å |
| 517 | E | 76.5 | Confident | 77.4 | Confident | 122 Ų | 122 | 50.4 Ų | 50.4 | 57% | 0.57 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -55.8 | -34.5 | 174.7 | -69.7 | -171 | -149.9 | 0 | 0 | 113.4 | D515 R521 | D515-E517 VanDerWaalsContact C-N 3.26Å; D515-E517 PolarHBondContact O-N 2.86Å; E517-R521 WeakPolarHBondContact O-CD 3.04Å; E517-R521 WeakPolarHBondContact O-CG 3.29Å; E517-R521 PolarHBondContact O-N 3.35Å; E517-R521 PolarHBondContact O-NE 3.06Å; E517-R521 IonicContact OE2-CZ 2.65Å; E517-R521 IonicContact OE2-NH2 3.44Å; E517-R521 PolarHBondContact OE2-NH2 3.21Å |
| 518 | K | 74.5 | Confident | 75.7 | Confident | 39 Ų | 39 | 58 Ų | 58 | 17% | 0.17 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -75 | -38.9 | 178.9 | -68.4 | -169.7 | -170.5 | -160.3 | 0 | 110.8 | N331 E335 I514 D515 P516 R521 I522 | N331-K518 HydrophobicContact CB-CD 4.31Å; N331-K518 PolarHBondContact O-NZ 3.21Å; E335-K518 IonicContact OE2-NZ 3.89Å; E335-K518 PolarHBondContact OE2-NZ 2.66Å; I514-K518 HydrophobicContact CG2-CB 4.41Å; D515-K518 HydrophobicContact CB-CB 4.35Å; D515-K518 HydrophobicContact CB-CD 4.4Å; D515-K518 HydrophobicContact CB-CG 4.06Å; D515-K518 WeakPolarHBondContact O-CB 3.48Å; D515-K518 PolarHBondContact O-N 3.09Å; D515-K518 VanDerWaalsContact OD2-CE 3.26Å; D515-K518 WeakPolarHBondContact OD2-CE 3.39Å; P516-K518 PolarHBondContact O-N 2.96Å; K518-R521 PolarHBondContact O-N 3.11Å; K518-I522 WeakPolarHBondContact O-CD1 3.48Å |
| 519 | L | 74.7 | Confident | 74.1 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 174.3 | -67.9 | 173.9 | 0 | 0 | 0 | 112 | I514 D515 P516 R521 I522 Q523 L524 V526 | I514-L519 HydrophobicContact CG2-CD1 4.38Å; I514-L519 HydrophobicContact CG2-CD2 4.02Å; I514-L519 HydrophobicContact CG2-CG 3.84Å; D515-L519 PolarHBondContact O-N 3.01Å; P516-L519 PolarHBondContact O-N 3.3Å; P516-L519 VanDerWaalsContact O-N 3.11Å; L519-R521 PolarHBondContact O-N 2.78Å; L519-I522 CarbonylContact O-C 3.6Å; L519-I522 PolarHBondContact O-N 2.61Å; L519-Q523 PolarHBondContact O-N 3.44Å; L519-L524 HydrophobicContact CD2-CB 4.25Å; L519-L524 HydrophobicContact CD2-CD1 4.32Å; L519-L524 PolarHBondContact O-N 3.42Å; L519-L524 VanDerWaalsContact O-N 3.1Å; L519-V526 HydrophobicContact CB-CG2 3.7Å; L519-V526 HydrophobicContact CD1-CG2 4.17Å |
| 520 | E | 71.3 | Confident | 72.6 | Confident | 115 Ų | 115 | 64.8 Ų | 64.8 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 177.4 | -74.7 | 172.7 | -172.7 | 0 | 0 | 112.6 | P516 I522 Q523 V526 | P516-E520 WeakPolarHBondContact O-CG 3.36Å; P516-E520 PolarHBondContact O-N 3.23Å; E520-I522 PolarHBondContact O-N 3.3Å; E520-I522 VanDerWaalsContact O-N 3.13Å; E520-Q523 PolarHBondContact O-N 3.33Å; E520-V526 HydrophobicContact CG-CG2 4.01Å |
| 521 | R | 66 | Low | 71.1 | Confident | 163 Ų | 163 | 70.3 Ų | 70.3 | 62% | 0.615 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.7 | 176.1 | -71.5 | 168 | -155.5 | -161.8 | 8.3 | 114.2 | E517 K518 L519 | E517-R521 WeakPolarHBondContact O-CD 3.04Å; E517-R521 WeakPolarHBondContact O-CG 3.29Å; E517-R521 PolarHBondContact O-N 3.35Å; E517-R521 PolarHBondContact O-NE 3.06Å; E517-R521 IonicContact OE2-CZ 2.65Å; E517-R521 IonicContact OE2-NH2 3.44Å; E517-R521 PolarHBondContact OE2-NH2 3.21Å; K518-R521 PolarHBondContact O-N 3.11Å; L519-R521 PolarHBondContact O-N 2.78Å |
| 522 | I | 62.3 | Low | 69.9 | Low | 11 Ų | 11 | 72.4 Ų | 72.4 | 6% | 0.056 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 2.3 | 173.9 | -62.8 | 88.1 | 0 | 0 | 0 | 111.1 | L338 K518 L519 E520 L524 N536 | L338-I522 HydrophobicContact CB-CD1 3.97Å; L338-I522 HydrophobicContact CB-CG1 4.09Å; L338-I522 HydrophobicContact CD1-CD1 3.58Å; L338-I522 HydrophobicContact CD1-CG1 3.97Å; L338-I522 HydrophobicContact CD2-CG1 4.2Å; L338-I522 HydrophobicContact CD2-CG2 4.3Å; L338-I522 HydrophobicContact CG-CD1 4.26Å; L338-I522 HydrophobicContact CG-CG1 4.3Å; K518-I522 WeakPolarHBondContact O-CD1 3.48Å; L519-I522 CarbonylContact O-C 3.6Å; L519-I522 PolarHBondContact O-N 2.61Å; E520-I522 PolarHBondContact O-N 3.3Å; E520-I522 VanDerWaalsContact O-N 3.13Å; I522-L524 HydrophobicContact CG2-CD1 4.21Å; I522-L524 HydrophobicContact CG2-CG 4.12Å; I522-L524 PolarHBondContact O-N 2.89Å; I522-N536 PolarHBondContact O-ND2 3.06Å |
| 523 | Q | 64.6 | Low | 69 | Low | 88 Ų | 88 | 69.5 Ų | 69.5 | 41% | 0.411 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 32 | -179.2 | -59.1 | 174.5 | -2.3 | 0 | 0 | 113.1 | L519 E520 Y535 N536 | L519-Q523 PolarHBondContact O-N 3.44Å; E520-Q523 PolarHBondContact O-N 3.33Å; Q523-Y535 PolarHBondContact OE1-O 3.17Å; Q523-N536 HydrophobicContact CB-CB 3.82Å |
| 524 | L | 71.4 | Confident | 68.5 | Low | 7 Ų | 7 | 72.8 Ų | 72.8 | 4% | 0.037 | 38% | 0.382 | C | S | . | . | trans | -79.4 | 156.4 | 172.2 | -76.6 | 174.5 | 0 | 0 | 0 | 111.2 | L505 L519 I522 V526 L539 | L505-L524 HydrophobicContact CD2-CD1 4.37Å; L505-L524 HydrophobicContact CD2-CD2 4.19Å; L519-L524 HydrophobicContact CD2-CB 4.25Å; L519-L524 HydrophobicContact CD2-CD1 4.32Å; L519-L524 PolarHBondContact O-N 3.42Å; L519-L524 VanDerWaalsContact O-N 3.1Å; I522-L524 HydrophobicContact CG2-CD1 4.21Å; I522-L524 HydrophobicContact CG2-CG 4.12Å; I522-L524 PolarHBondContact O-N 2.89Å; L524-V526 PolarHBondContact O-N 3.2Å; L524-L539 HydrophobicContact CD2-CD2 3.91Å | ||
| 525 | P | 60.2 | Low | 68.5 | Low | 7 Ų | 7 | 72.5 Ų | 72.5 | 5% | 0.045 | 38% | 0.38 | C | S | . | . | trans | -63.8 | 104.7 | 178.2 | -23.7 | 35.8 | 0 | 0 | 0 | 112.8 | S509 P527 Q571 Q572 | S509-P525 VanDerWaalsContact CB-O 3.3Å; S509-P525 WeakPolarHBondContact CB-O 3.39Å; P525-P527 WeakPolarHBondContact O-CD 3.45Å; P525-Q571 HydrophobicContact CB-CB 3.83Å; P525-Q571 WeakPolarHBondContact CB-O 3.32Å; P525-Q571 HydrophobicContact CG-CB 3.71Å; P525-Q572 HydrophobicContact CG-CG 3.64Å | ||
| 526 | V | 62.4 | Low | 68.6 | Low | 18 Ų | 18 | 69.9 Ų | 69.9 | 11% | 0.109 | 37% | 0.366 | C | S | . | . | trans | -68.1 | 128.3 | 160.2 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | P516 L519 E520 L524 A529 | P516-V526 HydrophobicContact CB-CG1 4.18Å; P516-V526 HydrophobicContact CB-CG2 4.41Å; L519-V526 HydrophobicContact CB-CG2 3.7Å; L519-V526 HydrophobicContact CD1-CG2 4.17Å; E520-V526 HydrophobicContact CG-CG2 4.01Å; L524-V526 PolarHBondContact O-N 3.2Å; V526-A529 HydrophobicContact CB-CB 4Å; V526-A529 HydrophobicContact CG1-CB 4.07Å | ||
| 527 | P | 60.1 | Low | 69 | Low | 65 Ų | 65 | 69.1 Ų | 69.1 | 42% | 0.422 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 139.2 | 172.1 | -21.5 | 34.4 | 0 | 0 | 0 | 111.2 | S509 P525 A529 | S509-P527 WeakPolarHBondContact O-CD 3.49Å; S509-P527 WeakPolarHBondContact O-CG 3.19Å; P525-P527 WeakPolarHBondContact O-CD 3.45Å; P527-A529 PolarHBondContact O-N 2.93Å; P527-A529 VanDerWaalsContact O-N 3.11Å |
| 528 | N | 56 | Low | 69.5 | Low | 160 Ų | 160 | 66.6 Ų | 66.6 | 86% | 0.856 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 10.3 | 176.5 | -49.1 | -36 | 0 | 0 | 0 | 116.6 | V530 | N528-V530 PolarHBondContact O-N 2.87Š|
| 529 | A | 59.3 | Low | 70.2 | Confident | 40 Ų | 40 | 64.8 Ų | 64.8 | 33% | 0.331 | 34% | 0.342 | S | S | . | . | trans | -62.4 | 122.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V526 P527 | V526-A529 HydrophobicContact CB-CB 4Å; V526-A529 HydrophobicContact CG1-CB 4.07Å; P527-A529 PolarHBondContact O-N 2.93Å; P527-A529 VanDerWaalsContact O-N 3.11Å | ||
| 530 | V | 54.9 | Low | 71 | Confident | 107 Ų | 107 | 64.5 Ų | 64.5 | 65% | 0.648 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -76.8 | -34.7 | -167.4 | -177.5 | 0 | 0 | 0 | 0 | 112.6 | N528 S576 | N528-V530 PolarHBondContact O-N 2.87Å; V530-S576 PolarHBondContact O-OG 2.81Å |
| 531 | E | 58.9 | Low | 72 | Confident | 175 Ų | 175 | 63.7 Ų | 63.7 | 82% | 0.818 | 34% | 0.337 | S | S | * | . | trans | -129.9 | 114.8 | -177.4 | -63 | -177.3 | 178.1 | 0 | 0 | 109.6 | ||||
| 532 | K | 66.5 | Low | 73.2 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 22% | 0.222 | 32% | 0.316 | C | S | . | . | trans | -118.2 | 127.1 | 168.8 | -67.2 | 176.3 | -178.5 | 167 | 0 | 108 | Q571 T575 I580 | K532-Q571 PolarHBondContact NZ-O 3.5Å; K532-T575 HydrophobicContact CB-CG2 3.97Å; K532-I580 HydrophobicContact CB-CD1 4.22Å | ||
| 533 | T | 70.1 | Confident | 74.8 | Confident | 128 Ų | 128 | 57.8 Ų | 57.8 | 79% | 0.785 | 31% | 0.314 | S | S | * | . | trans | -107.2 | -17.7 | 178.2 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 534 | T | 77 | Confident | 76.2 | Confident | 76 Ų | 76 | 53.9 Ų | 53.9 | 47% | 0.466 | 30% | 0.296 | S | S | . | . | trans | -136 | 153 | -176.5 | -53 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 535 | Y | 86.6 | Confident | 77.2 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | trans | -138.7 | 156.9 | 176.6 | 70.4 | -84.9 | 0 | 0 | 0 | 110.9 | Q523 H537 A540 V573 I580 K582 H585 | Q523-Y535 PolarHBondContact OE1-O 3.17Å; Y535-H537 AromaticContact CD1-CE1 3.99Å; Y535-H537 AromaticContact CD2-ND1 3.71Å; Y535-H537 AromaticContact CE1-CE1 3.6Å; Y535-H537 AromaticContact CE1-ND1 3.64Å; Y535-H537 AromaticContact CE2-ND1 3.29Å; Y535-H537 VanDerWaalsContact CE2-ND1 3.29Å; Y535-H537 WeakPolarHBondContact CE2-ND1 3.4Å; Y535-H537 AromaticContact CZ-CE1 3.68Å; Y535-H537 AromaticContact CZ-ND1 3.27Å; Y535-H537 VanDerWaalsContact CZ-ND1 3.27Å; Y535-H537 PolarHBondContact O-CE1 2.97Å; Y535-H537 PolarHBondContact O-N 2.81Å; Y535-H537 PolarHBondContact O-ND1 3.19Å; Y535-A540 HydrophobicContact CD2-CB 3.93Å; Y535-A540 HydrophobicContact CE2-CB 3.63Å; Y535-V573 HydrophobicContact CD1-CG1 4.28Å; Y535-V573 HydrophobicContact CD2-CG1 3.77Å; Y535-V573 HydrophobicContact CE2-CG1 4.13Å; Y535-V573 HydrophobicContact CG-CG1 3.85Å; Y535-I580 HydrophobicContact CD1-CD1 4.17Å; Y535-I580 HydrophobicContact CD1-CG1 4.15Å; Y535-I580 WeakPolarHBondContact CD1-O 3.2Å; Y535-I580 WeakPolarHBondContact CE1-O 3.35Å; Y535-K582 HydrophobicContact CE1-CG 4.41Å; Y535-K582 WeakPolarHBondContact OH-CB 3.27Å; Y535-K582 PolarHBondContact OH-N 3.44Å; Y535-H585 AromaticContact CE2-ND1 3.79Å; Y535-H585 PolarHBondContact OH-ND1 3.11Å | ||
| 536 | N | 86.5 | Confident | 78.9 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 5% | 0.053 | 31% | 0.311 | C | S | . | . | trans | -65.3 | 101.9 | -178.5 | -169.5 | -45.1 | 0 | 0 | 0 | 112.2 | Y486 I522 Q523 P538 L539 A540 | Y486-N536 PolarHBondContact OH-ND2 3.28Å; I522-N536 PolarHBondContact O-ND2 3.06Å; Q523-N536 HydrophobicContact CB-CB 3.82Å; N536-P538 WeakPolarHBondContact OD1-CD 3.38Å; N536-L539 HydrophobicContact CB-CB 3.99Å; N536-L539 VanDerWaalsContact CG-CB 3.46Å; N536-L539 WeakPolarHBondContact OD1-CB 3.17Å; N536-L539 PolarHBondContact OD1-N 3.4Å; N536-A540 VanDerWaalsContact O-CB 3.32Å; N536-A540 WeakPolarHBondContact O-CB 3.45Å; N536-A540 PolarHBondContact O-N 3.06Å | ||
| 537 | H | 88.4 | Confident | 80.4 | Confident | 57 Ų | 57 | 57.4 Ų | 57.4 | 26% | 0.264 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.7 | -48.1 | -177.3 | -53 | -27.1 | 0 | 0 | 0 | 113.6 | Y535 L539 A540 E541 K582 H585 | Y535-H537 AromaticContact CD1-CE1 3.99Å; Y535-H537 AromaticContact CD2-ND1 3.71Å; Y535-H537 AromaticContact CE1-CE1 3.6Å; Y535-H537 AromaticContact CE1-ND1 3.64Å; Y535-H537 AromaticContact CE2-ND1 3.29Å; Y535-H537 VanDerWaalsContact CE2-ND1 3.29Å; Y535-H537 WeakPolarHBondContact CE2-ND1 3.4Å; Y535-H537 AromaticContact CZ-CE1 3.68Å; Y535-H537 AromaticContact CZ-ND1 3.27Å; Y535-H537 VanDerWaalsContact CZ-ND1 3.27Å; Y535-H537 PolarHBondContact O-CE1 2.97Å; Y535-H537 PolarHBondContact O-N 2.81Å; Y535-H537 PolarHBondContact O-ND1 3.19Å; H537-L539 VanDerWaalsContact C-N 3.29Å; H537-L539 PolarHBondContact O-N 3.05Å; H537-A540 PolarHBondContact O-N 3.49Å; H537-E541 PolarHBondContact O-N 3.44Å; H537-K582 PolarHBondContact CD2-NZ 2.93Å; H537-K582 VanDerWaalsContact CD2-NZ 3.3Å; H537-K582 VanDerWaalsContact NE2-CE 3.35Å; H537-K582 WeakPolarHBondContact NE2-CE 3.45Å; H537-K582 PolarHBondContact NE2-NZ 3.13Å; H537-H585 PolarHBondContact O-CE1 2.7Å |
| 538 | P | 88 | Confident | 82 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.8 | -31.7 | 179.2 | -24.3 | 35.6 | 0 | 0 | 0 | 114.1 | N536 R542 | N536-P538 WeakPolarHBondContact OD1-CD 3.38Å; P538-R542 WeakPolarHBondContact O-CG 3.2Å; P538-R542 PolarHBondContact O-N 3.36Å |
| 539 | L | 89.2 | Confident | 83.8 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.1 | -44.5 | 173.7 | -179.5 | 54 | 0 | 0 | 0 | 111 | Y486 L489 L505 L524 N536 H537 E541 R542 L543 Q572 | Y486-L539 HydrophobicContact CE1-CB 4.2Å; Y486-L539 HydrophobicContact CE1-CD1 4.2Å; L489-L539 HydrophobicContact CD1-CD1 3.73Å; L505-L539 HydrophobicContact CD1-CD1 3.71Å; L505-L539 HydrophobicContact CD1-CD2 4.02Å; L524-L539 HydrophobicContact CD2-CD2 3.91Å; N536-L539 HydrophobicContact CB-CB 3.99Å; N536-L539 VanDerWaalsContact CG-CB 3.46Å; N536-L539 WeakPolarHBondContact OD1-CB 3.17Å; N536-L539 PolarHBondContact OD1-N 3.4Å; H537-L539 VanDerWaalsContact C-N 3.29Å; H537-L539 PolarHBondContact O-N 3.05Å; L539-E541 VanDerWaalsContact C-N 3.31Å; L539-E541 PolarHBondContact O-N 3.11Å; L539-R542 PolarHBondContact O-N 3.35Å; L539-L543 HydrophobicContact CD1-CD1 4.34Å; L539-L543 HydrophobicContact CD1-CG 4.19Å; L539-L543 HydrophobicContact CG-CD1 4.11Å; L539-L543 HydrophobicContact CG-CG 4.43Å; L539-L543 VanDerWaalsContact O-CG 3.29Å; L539-L543 WeakPolarHBondContact O-CG 3.47Å; L539-L543 PolarHBondContact O-N 2.98Å; L539-Q572 VanDerWaalsContact CD2-NE2 3.28Å |
| 540 | A | 91.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y535 N536 H537 L543 I544 L569 | Y535-A540 HydrophobicContact CD2-CB 3.93Å; Y535-A540 HydrophobicContact CE2-CB 3.63Å; N536-A540 VanDerWaalsContact O-CB 3.32Å; N536-A540 WeakPolarHBondContact O-CB 3.45Å; N536-A540 PolarHBondContact O-N 3.06Å; H537-A540 PolarHBondContact O-N 3.49Å; A540-L543 PolarHBondContact O-N 3.28Å; A540-I544 WeakPolarHBondContact O-CB 3.48Å; A540-I544 WeakPolarHBondContact O-CD1 3.39Å; A540-I544 VanDerWaalsContact O-CG1 3.24Å; A540-I544 WeakPolarHBondContact O-CG1 3.27Å; A540-I544 PolarHBondContact O-N 3.07Å; A540-L569 HydrophobicContact CB-CD1 3.78Å |
| 541 | E | 92.3 | Very high | 87.3 | Confident | 98 Ų | 98 | 44.6 Ų | 44.6 | 46% | 0.458 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.9 | -46.7 | 174.8 | -164 | -159.1 | 137.8 | 0 | 0 | 111.4 | H537 L539 I544 R545 | H537-E541 PolarHBondContact O-N 3.44Å; L539-E541 VanDerWaalsContact C-N 3.31Å; L539-E541 PolarHBondContact O-N 3.11Å; E541-I544 CarbonylContact O-C 3.56Å; E541-I544 PolarHBondContact O-N 3.29Å; E541-R545 WeakPolarHBondContact O-CB 3.29Å; E541-R545 PolarHBondContact O-N 3.17Å; E541-R545 IonicContact OE1-CZ 3.46Å; E541-R545 IonicContact OE1-NH2 2.7Å; E541-R545 PolarHBondContact OE1-NH2 3.41Å |
| 542 | R | 91.9 | Very high | 88.8 | Confident | 50 Ų | 50 | 39.9 Ų | 39.9 | 19% | 0.189 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 177.5 | -72.1 | 172.2 | 169.7 | 112 | -0.9 | 113 | Y486 L489 D490 P538 L539 I544 R545 I546 | Y486-R542 PolarHBondContact O-NE 3.08Å; L489-R542 HydrophobicContact CB-CB 4.29Å; L489-R542 HydrophobicContact CD1-CB 4.39Å; D490-R542 IonicContact OD1-NE 3.65Å; D490-R542 IonicContact OD2-CZ 2.61Å; D490-R542 VanDerWaalsContact OD2-CZ 3.24Å; D490-R542 IonicContact OD2-NE 2.72Å; D490-R542 PolarHBondContact OD2-NE 2.85Å; D490-R542 IonicContact OD2-NH2 3.32Å; D490-R542 PolarHBondContact OD2-NH2 3.09Å; P538-R542 WeakPolarHBondContact O-CG 3.2Å; P538-R542 PolarHBondContact O-N 3.36Å; L539-R542 PolarHBondContact O-N 3.35Å; R542-I544 VanDerWaalsContact C-N 3.32Å; R542-I544 PolarHBondContact O-N 2.91Å; R542-R545 WeakPolarHBondContact O-CB 3.33Å; R542-R545 PolarHBondContact O-N 3.18Å; R542-I546 WeakPolarHBondContact O-CG1 3.44Å; R542-I546 PolarHBondContact O-N 3.03Å |
| 543 | L | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -42.3 | 174.4 | -67.2 | 173.4 | 0 | 0 | 0 | 111.2 | L502 L539 A540 R545 I546 M547 L568 L569 | L502-L543 HydrophobicContact CD2-CD2 3.35Å; L539-L543 HydrophobicContact CD1-CD1 4.34Å; L539-L543 HydrophobicContact CD1-CG 4.19Å; L539-L543 HydrophobicContact CG-CD1 4.11Å; L539-L543 HydrophobicContact CG-CG 4.43Å; L539-L543 VanDerWaalsContact O-CG 3.29Å; L539-L543 WeakPolarHBondContact O-CG 3.47Å; L539-L543 PolarHBondContact O-N 2.98Å; A540-L543 PolarHBondContact O-N 3.28Å; L543-R545 VanDerWaalsContact C-N 3.34Å; L543-I546 PolarHBondContact O-N 3.4Å; L543-M547 HydrophobicContact CB-CE 4.36Å; L543-M547 VanDerWaalsContact O-CG 3.28Å; L543-M547 WeakPolarHBondContact O-CG 3.46Å; L543-M547 PolarHBondContact O-N 2.69Å; L543-M547 VanDerWaalsContact O-N 3.09Å; L543-L568 HydrophobicContact CD1-CB 4.13Å; L543-L568 HydrophobicContact CD2-CB 4.43Å; L543-L569 HydrophobicContact CB-CB 4.38Å; L543-L569 HydrophobicContact CD1-CB 4.01Å; L543-L569 HydrophobicContact CD1-CD1 4.41Å |
| 544 | I | 94.6 | Very high | 90.4 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.9 | -31.2 | 175.7 | -65.6 | 162.8 | 0 | 0 | 0 | 111.5 | A540 E541 R542 M547 N548 L569 M581 H585 C588 | A540-I544 WeakPolarHBondContact O-CB 3.48Å; A540-I544 WeakPolarHBondContact O-CD1 3.39Å; A540-I544 VanDerWaalsContact O-CG1 3.24Å; A540-I544 WeakPolarHBondContact O-CG1 3.27Å; A540-I544 PolarHBondContact O-N 3.07Å; E541-I544 CarbonylContact O-C 3.56Å; E541-I544 PolarHBondContact O-N 3.29Å; R542-I544 VanDerWaalsContact C-N 3.32Å; R542-I544 PolarHBondContact O-N 2.91Å; I544-M547 WeakPolarHBondContact O-CB 3.37Å; I544-M547 PolarHBondContact O-N 3.46Å; I544-N548 WeakPolarHBondContact CG2-ND2 3.29Å; I544-N548 PolarHBondContact O-N 2.95Å; I544-N548 PolarHBondContact O-ND2 2.95Å; I544-L569 HydrophobicContact CD1-CD2 4.21Å; I544-L569 HydrophobicContact CG1-CD2 3.7Å; I544-M581 HydrophobicContact CD1-SD 4.46Å; I544-H585 HydrophobicContact CD1-CB 3.82Å; I544-H585 WeakPolarHBondContact CD1-O 3.33Å; I544-C588 HydrophobicContact CG2-CB 3.68Å |
| 545 | R | 93.4 | Very high | 90.7 | Very high | 101 Ų | 101 | 38.2 Ų | 38.2 | 38% | 0.381 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 172.5 | -166.4 | 179.2 | -67.9 | -172.4 | -8 | 111.5 | D490 E541 R542 L543 M547 N548 N549 | D490-R545 IonicContact OD1-CZ 2.67Å; D490-R545 IonicContact OD1-NE 3.95Å; D490-R545 IonicContact OD1-NH1 3.95Å; D490-R545 PolarHBondContact OD1-NH1 3.37Å; E541-R545 WeakPolarHBondContact O-CB 3.29Å; E541-R545 PolarHBondContact O-N 3.17Å; E541-R545 IonicContact OE1-CZ 3.46Å; E541-R545 IonicContact OE1-NH2 2.7Å; E541-R545 PolarHBondContact OE1-NH2 3.41Å; R542-R545 WeakPolarHBondContact O-CB 3.33Å; R542-R545 PolarHBondContact O-N 3.18Å; L543-R545 VanDerWaalsContact C-N 3.34Å; R545-M547 VanDerWaalsContact C-N 3.32Å; R545-M547 PolarHBondContact O-N 3.16Å; R545-N548 PolarHBondContact O-N 3.47Å; R545-N549 WeakPolarHBondContact O-CB 3.43Å; R545-N549 VanDerWaalsContact O-CG 3.31Å; R545-N549 PolarHBondContact O-N 2.88Å; R545-N549 PolarHBondContact O-OD1 3.43Å |
| 546 | I | 94.4 | Very high | 90.9 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.6 | -40.2 | 172.6 | -65.1 | 168.5 | 0 | 0 | 0 | 111 | L489 A498 L502 R542 L543 N549 A550 I557 T561 | L489-I546 HydrophobicContact CD2-CD1 3.95Å; A498-I546 HydrophobicContact CB-CD1 4.34Å; L502-I546 HydrophobicContact CD1-CD1 4.3Å; R542-I546 WeakPolarHBondContact O-CG1 3.44Å; R542-I546 PolarHBondContact O-N 3.03Å; L543-I546 PolarHBondContact O-N 3.4Å; I546-N549 PolarHBondContact O-N 2.91Å; I546-A550 WeakPolarHBondContact O-CB 3.48Å; I546-A550 PolarHBondContact O-N 3.2Å; I546-I557 HydrophobicContact CG2-CG2 3.97Å; I546-T561 HydrophobicContact CG2-CG2 4.29Å |
| 547 | M | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 176.1 | -67.7 | 171.1 | -159.6 | 0 | 0 | 112.7 | L543 I544 R545 A550 A551 L562 S565 C566 L569 L589 A592 L673 L676 | L543-M547 HydrophobicContact CB-CE 4.36Å; L543-M547 VanDerWaalsContact O-CG 3.28Å; L543-M547 WeakPolarHBondContact O-CG 3.46Å; L543-M547 PolarHBondContact O-N 2.69Å; L543-M547 VanDerWaalsContact O-N 3.09Å; I544-M547 WeakPolarHBondContact O-CB 3.37Å; I544-M547 PolarHBondContact O-N 3.46Å; R545-M547 VanDerWaalsContact C-N 3.32Å; R545-M547 PolarHBondContact O-N 3.16Å; M547-A550 PolarHBondContact O-N 2.98Å; M547-A551 PolarHBondContact O-N 3.36Å; M547-A551 VanDerWaalsContact O-N 3.08Å; M547-L562 HydrophobicContact CB-CD1 4.35Å; M547-L562 HydrophobicContact CG-CD1 3.81Å; M547-S565 VanDerWaalsContact CE-C 3.46Å; M547-S565 VanDerWaalsContact CE-O 3.31Å; M547-S565 WeakPolarHBondContact CE-O 3.28Å; M547-C566 HydrophobicContact CE-CB 4.44Å; M547-L569 HydrophobicContact CE-CB 3.92Å; M547-L569 HydrophobicContact CE-CD2 3.71Å; M547-L569 HydrophobicContact CE-CG 4.48Å; M547-L569 HydrophobicContact SD-CD2 4.01Å; M547-L589 HydrophobicContact SD-CD1 3.59Å; M547-L589 VanDerWaalsContact SD-CD1 3.59Å; M547-A592 HydrophobicContact CB-CB 4.26Å; M547-L673 HydrophobicContact CB-CD2 3.79Å; M547-L673 HydrophobicContact CG-CD2 3.7Å; M547-L673 HydrophobicContact SD-CD2 3.92Å; M547-L676 HydrophobicContact CE-CD2 3.87Å; M547-L676 HydrophobicContact SD-CD2 3.89Å |
| 548 | N | 93.9 | Very high | 91.5 | Very high | 45 Ų | 45 | 40.2 Ų | 40.2 | 24% | 0.241 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 174.4 | -82.4 | -75.1 | 0 | 0 | 0 | 111.6 | I544 R545 A550 A551 Q552 C588 A592 | I544-N548 WeakPolarHBondContact CG2-ND2 3.29Å; I544-N548 PolarHBondContact O-N 2.95Å; I544-N548 PolarHBondContact O-ND2 2.95Å; R545-N548 PolarHBondContact O-N 3.47Å; N548-A550 PolarHBondContact O-N 3.1Å; N548-A551 PolarHBondContact O-N 2.91Å; N548-A551 VanDerWaalsContact O-N 3.14Å; N548-Q552 PolarHBondContact O-N 3.37Å; N548-C588 PolarHBondContact ND2-O 2.73Å; N548-A592 WeakPolarHBondContact OD1-CA 3.17Å; N548-A592 WeakPolarHBondContact OD1-CB 3.37Å |
| 549 | N | 92.9 | Very high | 91.8 | Very high | 55 Ų | 55 | 37.2 Ų | 37.2 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.5 | -32.4 | 175.5 | -70.9 | -1.1 | 0 | 0 | 0 | 111.9 | R545 I546 Q552 G555 I557 | R545-N549 WeakPolarHBondContact O-CB 3.43Å; R545-N549 VanDerWaalsContact O-CG 3.31Å; R545-N549 PolarHBondContact O-N 2.88Å; R545-N549 PolarHBondContact O-OD1 3.43Å; I546-N549 PolarHBondContact O-N 2.91Å; N549-Q552 PolarHBondContact O-N 3.19Å; N549-G555 WeakPolarHBondContact O-CA 3.35Å; N549-I557 HydrophobicContact CB-CD1 4.16Å; N549-I557 HydrophobicContact CB-CG1 3.98Å |
| 550 | A | 93.9 | Very high | 92 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.8 | -35.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I546 M547 N548 Q552 I557 L562 R665 V669 | I546-A550 WeakPolarHBondContact O-CB 3.48Å; I546-A550 PolarHBondContact O-N 3.2Å; M547-A550 PolarHBondContact O-N 2.98Å; N548-A550 PolarHBondContact O-N 3.1Å; A550-Q552 VanDerWaalsContact C-N 3.25Å; A550-Q552 PolarHBondContact O-N 3Å; A550-I557 HydrophobicContact CB-CB 3.93Å; A550-I557 HydrophobicContact CB-CG1 4.13Å; A550-I557 HydrophobicContact CB-CG2 4.1Å; A550-L562 HydrophobicContact CB-CD1 3.93Å; A550-L562 HydrophobicContact CB-CD2 4Å; A550-L562 HydrophobicContact CB-CG 4.38Å; A550-R665 PolarHBondContact O-NH1 2.78Å; A550-R665 PolarHBondContact O-NH2 3.08Å; A550-V669 HydrophobicContact CB-CG1 4.4Å |
| 551 | A | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.5 | -14.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | M547 N548 E595 L599 V669 L673 | M547-A551 PolarHBondContact O-N 3.36Å; M547-A551 VanDerWaalsContact O-N 3.08Å; N548-A551 PolarHBondContact O-N 2.91Å; N548-A551 VanDerWaalsContact O-N 3.14Å; A551-E595 HydrophobicContact CB-CB 3.86Å; A551-L599 WeakPolarHBondContact O-CD2 3.32Å; A551-V669 HydrophobicContact CB-CG1 4.41Å; A551-L673 HydrophobicContact CB-CD1 4.49Å |
| 552 | Q | 91.2 | Very high | 92.4 | Very high | 77 Ų | 77 | 32.6 Ų | 32.6 | 36% | 0.36 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -71.7 | 148 | 176.9 | -63 | -51.7 | -54 | 0 | 0 | 113 | N548 N549 A550 D554 G555 R665 | N548-Q552 PolarHBondContact O-N 3.37Å; N549-Q552 PolarHBondContact O-N 3.19Å; A550-Q552 VanDerWaalsContact C-N 3.25Å; A550-Q552 PolarHBondContact O-N 3Å; Q552-D554 PolarHBondContact O-N 3.18Å; Q552-G555 PolarHBondContact O-N 2.96Å; Q552-G555 VanDerWaalsContact O-N 3.12Å; Q552-R665 PolarHBondContact O-NH1 3.49Å |
| 553 | P | 86.4 | Confident | 92.5 | Very high | 81 Ų | 81 | 32.1 Ų | 32.1 | 53% | 0.526 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -34.5 | -175.6 | 25.2 | -34.5 | 0 | 0 | 0 | 114.4 | L599 | P553-L599 HydrophobicContact CB-CD1 3.88Š|
| 554 | D | 83.8 | Confident | 92.5 | Very high | 126 Ų | 126 | 32.1 Ų | 32.1 | 67% | 0.674 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 19.7 | 173.9 | -63.9 | -55.1 | 0 | 0 | 0 | 112.1 | Q552 K556 K662 | Q552-D554 PolarHBondContact O-N 3.18Å; D554-K556 PolarHBondContact O-N 3.44Å; D554-K662 IonicContact OD1-NZ 2.92Å; D554-K662 PolarHBondContact OD1-NZ 2.89Å |
| 555 | G | 83.4 | Confident | 92.6 | Very high | 13 Ų | 13 | 31.9 Ų | 31.9 | 13% | 0.134 | 16% | 0.162 | C | C | . | . | trans | -63.3 | 114.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N549 Q552 I557 R665 | N549-G555 WeakPolarHBondContact O-CA 3.35Å; Q552-G555 PolarHBondContact O-N 2.96Å; Q552-G555 VanDerWaalsContact O-N 3.12Å; G555-I557 PolarHBondContact O-N 2.85Å; G555-R665 PolarHBondContact O-NH2 2.7Å | ||
| 556 | K | 89.1 | Confident | 92.7 | Very high | 101 Ų | 101 | 27.7 Ų | 27.7 | 44% | 0.439 | 15% | 0.148 | S | C | . | . | trans | -80.7 | 30.1 | -179.8 | -60 | 160.5 | 174.3 | 172.1 | 0 | 113.7 | D493 D554 L655 | D493-K556 WeakPolarHBondContact O-CD 3.26Å; D493-K556 WeakPolarHBondContact O-CE 3.46Å; D493-K556 PolarHBondContact O-NZ 3.28Å; D493-K556 IonicContact OD1-NZ 3.95Å; D554-K556 PolarHBondContact O-N 3.44Å; K556-L655 HydrophobicContact CB-CD1 4.4Å; K556-L655 HydrophobicContact CB-CD2 4.38Å; K556-L655 WeakPolarHBondContact O-CD2 3.2Å | ||
| 557 | I | 93.1 | Very high | 92.6 | Very high | 10 Ų | 10 | 29.8 Ų | 29.8 | 5% | 0.051 | 16% | 0.159 | C | C | . | . | trans | -91.9 | 123.8 | 176.8 | -46.6 | -57.4 | 0 | 0 | 0 | 109.2 | D495 I546 N549 A550 G555 T561 R665 | D495-I557 HydrophobicContact CB-CD1 3.89Å; D495-I557 HydrophobicContact CB-CG2 4.42Å; I546-I557 HydrophobicContact CG2-CG2 3.97Å; N549-I557 HydrophobicContact CB-CD1 4.16Å; N549-I557 HydrophobicContact CB-CG1 3.98Å; A550-I557 HydrophobicContact CB-CB 3.93Å; A550-I557 HydrophobicContact CB-CG1 4.13Å; A550-I557 HydrophobicContact CB-CG2 4.1Å; G555-I557 PolarHBondContact O-N 2.85Å; I557-T561 HydrophobicContact CG2-CG2 4.22Å; I557-R665 PolarHBondContact O-NE 3.2Å; I557-R665 VanDerWaalsContact O-NE 3.15Å; I557-R665 PolarHBondContact O-NH2 2.8Å; I557-R665 VanDerWaalsContact O-NH2 3.13Å | ||
| 558 | R | 94.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | trans | -68.9 | 153.9 | 172.9 | -63.7 | 175.3 | -82.8 | -179.5 | -0.7 | 110.6 | D495 A560 T561 L562 K653 L655 | D495-R558 PolarHBondContact O-NH2 2.98Å; D495-R558 VanDerWaalsContact O-NH2 3.07Å; D495-R558 IonicContact OD1-CZ 3.04Å; D495-R558 VanDerWaalsContact OD1-CZ 3.27Å; D495-R558 IonicContact OD1-NE 2.74Å; D495-R558 PolarHBondContact OD1-NE 3.37Å; D495-R558 IonicContact OD1-NH2 2.66Å; D495-R558 PolarHBondContact OD1-NH2 2.66Å; D495-R558 VanDerWaalsContact OD2-CB 3.25Å; D495-R558 WeakPolarHBondContact OD2-CB 3.5Å; D495-R558 WeakPolarHBondContact OD2-CG 3.4Å; D495-R558 PolarHBondContact OD2-N 3.12Å; D495-R558 IonicContact OD2-NE 3.18Å; D495-R558 PolarHBondContact OD2-NE 3.44Å; R558-A560 PolarHBondContact O-N 3.23Å; R558-T561 PolarHBondContact O-N 3.26Å; R558-L562 PolarHBondContact O-N 2.94Å; R558-K653 WeakPolarHBondContact CD-O 3.49Å; R558-L655 HydrophobicContact CG-CD2 4.05Å | ||
| 559 | L | 94.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.8 | -35.6 | -178.9 | -66.8 | 176.3 | 0 | 0 | 0 | 112.5 | T561 L562 E563 F651 V652 R665 R668 V669 | L559-T561 PolarHBondContact O-N 2.8Å; L559-L562 PolarHBondContact O-N 2.96Å; L559-E563 WeakPolarHBondContact O-CB 3.4Å; L559-E563 PolarHBondContact O-N 2.77Å; L559-F651 HydrophobicContact CD1-CD1 4.1Å; L559-F651 HydrophobicContact CD1-CE1 3.66Å; L559-F651 HydrophobicContact CD1-CZ 4.13Å; L559-V652 HydrophobicContact CB-CG1 4.02Å; L559-V652 PolarHBondContact N-O 3.39Å; L559-R665 HydrophobicContact CD2-CG 4.17Å; L559-R668 HydrophobicContact CD1-CB 4.12Å; L559-R668 HydrophobicContact CD1-CG 4.11Å; L559-R668 HydrophobicContact CD2-CB 3.71Å; L559-V669 HydrophobicContact CD2-CG2 4.4Å |
| 560 | A | 94.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.017 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.6 | -46.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L499 R558 L562 E563 L564 L631 V652 | L499-A560 HydrophobicContact CD1-CB 4.36Å; R558-A560 PolarHBondContact O-N 3.23Å; A560-L562 PolarHBondContact O-N 3.1Å; A560-E563 PolarHBondContact O-N 3.34Å; A560-L564 WeakPolarHBondContact O-CB 3.47Å; A560-L564 PolarHBondContact O-N 2.98Å; A560-L631 HydrophobicContact CB-CD1 4.4Å; A560-L631 HydrophobicContact CB-CD2 4.22Å; A560-V652 HydrophobicContact CB-CG1 4.16Å; A560-V652 PolarHBondContact N-O 2.94Å |
| 561 | T | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 179.8 | -45.1 | 0 | 0 | 0 | 0 | 111.5 | D495 L502 I546 I557 R558 L559 S565 | D495-T561 HydrophobicContact CB-CG2 3.96Å; D495-T561 VanDerWaalsContact OD2-CB 3.24Å; D495-T561 WeakPolarHBondContact OD2-CB 3.29Å; D495-T561 PolarHBondContact OD2-OG1 3.47Å; L502-T561 HydrophobicContact CD1-CG2 3.57Å; I546-T561 HydrophobicContact CG2-CG2 4.29Å; I557-T561 HydrophobicContact CG2-CG2 4.22Å; R558-T561 PolarHBondContact O-N 3.26Å; L559-T561 PolarHBondContact O-N 2.8Å; T561-S565 WeakPolarHBondContact O-CB 3.21Å; T561-S565 PolarHBondContact O-N 3.03Å; T561-S565 PolarHBondContact O-OG 3.08Å |
| 562 | L | 95.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.3 | -46.6 | 175.7 | 179.9 | 61.4 | 0 | 0 | 0 | 111.6 | M547 A550 R558 L559 A560 L564 S565 C566 V669 M672 L673 | M547-L562 HydrophobicContact CB-CD1 4.35Å; M547-L562 HydrophobicContact CG-CD1 3.81Å; A550-L562 HydrophobicContact CB-CD1 3.93Å; A550-L562 HydrophobicContact CB-CD2 4Å; A550-L562 HydrophobicContact CB-CG 4.38Å; R558-L562 PolarHBondContact O-N 2.94Å; L559-L562 PolarHBondContact O-N 2.96Å; A560-L562 PolarHBondContact O-N 3.1Å; L562-L564 VanDerWaalsContact C-N 3.32Å; L562-L564 PolarHBondContact O-N 3.17Å; L562-S565 WeakPolarHBondContact O-CB 3.49Å; L562-S565 PolarHBondContact O-N 3.05Å; L562-S565 VanDerWaalsContact O-N 3.16Å; L562-C566 PolarHBondContact O-N 2.92Å; L562-C566 PolarHBondContact O-SG 2.99Å; L562-V669 HydrophobicContact CD2-CB 4.04Å; L562-V669 HydrophobicContact CD2-CG1 3.9Å; L562-V669 HydrophobicContact CD2-CG2 3.78Å; L562-M672 HydrophobicContact CB-SD 4.27Å; L562-M672 HydrophobicContact CD2-CB 4.2Å; L562-M672 HydrophobicContact CD2-SD 3.75Å; L562-M672 HydrophobicContact CG-CB 4.48Å; L562-M672 HydrophobicContact CG-SD 3.88Å; L562-L673 HydrophobicContact CD1-CD2 4.21Å |
| 563 | E | 95.2 | Very high | 91.6 | Very high | 41 Ų | 41 | 27.7 Ų | 27.7 | 19% | 0.192 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | -179.6 | -162.8 | 172.1 | 151.5 | 0 | 0 | 111.3 | L559 A560 C566 L567 M626 M672 | L559-E563 WeakPolarHBondContact O-CB 3.4Å; L559-E563 PolarHBondContact O-N 2.77Å; A560-E563 PolarHBondContact O-N 3.34Å; E563-C566 PolarHBondContact O-N 3.35Å; E563-L567 WeakPolarHBondContact O-CB 3.23Å; E563-L567 PolarHBondContact O-N 3.17Å; E563-M626 HydrophobicContact CB-CE 4.18Å; E563-M626 HydrophobicContact CB-SD 4.39Å; E563-M626 HydrophobicContact CG-CB 4.25Å; E563-M626 HydrophobicContact CG-CE 4.18Å; E563-M626 WeakPolarHBondContact OE1-CB 3.5Å; E563-M626 PolarHBondContact OE1-N 2.91Å; E563-M672 HydrophobicContact CB-CE 3.71Å; E563-M672 HydrophobicContact CB-SD 4.23Å; E563-M672 HydrophobicContact CG-CE 3.92Å; E563-M672 VanDerWaalsContact OE2-CE 3.32Å; E563-M672 WeakPolarHBondContact OE2-CE 3.47Å |
| 564 | L | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.8 | -36.6 | 175.8 | -164.5 | 50.8 | 0 | 0 | 0 | 112.5 | L502 Y506 A560 L562 L567 L568 M626 V628 | L502-L564 HydrophobicContact CB-CB 4.42Å; L502-L564 HydrophobicContact CB-CD2 3.59Å; L502-L564 HydrophobicContact CB-CG 3.84Å; Y506-L564 HydrophobicContact CD2-CD1 3.86Å; Y506-L564 HydrophobicContact CG-CD1 4.12Å; A560-L564 WeakPolarHBondContact O-CB 3.47Å; A560-L564 PolarHBondContact O-N 2.98Å; L562-L564 VanDerWaalsContact C-N 3.32Å; L562-L564 PolarHBondContact O-N 3.17Å; L564-L567 HydrophobicContact CD1-CD2 4.43Å; L564-L567 PolarHBondContact O-N 2.87Å; L564-L568 HydrophobicContact CD1-CD1 4.42Å; L564-L568 HydrophobicContact CD1-CG 4.45Å; L564-L568 HydrophobicContact CG-CD1 4.16Å; L564-L568 WeakPolarHBondContact O-CB 3.45Å; L564-L568 WeakPolarHBondContact O-CG 3.46Å; L564-L568 PolarHBondContact O-N 3.28Å; L564-M626 HydrophobicContact CB-CE 3.7Å; L564-M626 HydrophobicContact CB-SD 4.3Å; L564-M626 HydrophobicContact CD1-CE 3.75Å; L564-M626 HydrophobicContact CG-CE 4.24Å; L564-V628 HydrophobicContact CD1-CG2 3.79Å |
| 565 | S | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.7 | -43.3 | 174.1 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | L502 M547 T561 L562 L569 | L502-S565 VanDerWaalsContact CD1-OG 3.27Å; L502-S565 WeakPolarHBondContact CD1-OG 3.4Å; M547-S565 VanDerWaalsContact CE-C 3.46Å; M547-S565 VanDerWaalsContact CE-O 3.31Å; M547-S565 WeakPolarHBondContact CE-O 3.28Å; T561-S565 WeakPolarHBondContact O-CB 3.21Å; T561-S565 PolarHBondContact O-N 3.03Å; T561-S565 PolarHBondContact O-OG 3.08Å; L562-S565 WeakPolarHBondContact O-CB 3.49Å; L562-S565 PolarHBondContact O-N 3.05Å; L562-S565 VanDerWaalsContact O-N 3.16Å; S565-L569 WeakPolarHBondContact O-CB 3.4Å; S565-L569 PolarHBondContact O-N 3.38Å |
| 566 | C | 95.3 | Very high | 91.3 | Very high | 13 Ų | 13 | 26.2 Ų | 26.2 | 9% | 0.088 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.6 | -41.2 | 176.4 | -68.3 | 0 | 0 | 0 | 0 | 111.9 | M547 L562 E563 K570 L676 | M547-C566 HydrophobicContact CE-CB 4.44Å; L562-C566 PolarHBondContact O-N 2.92Å; L562-C566 PolarHBondContact O-SG 2.99Å; E563-C566 PolarHBondContact O-N 3.35Å; C566-K570 WeakPolarHBondContact O-CB 2.89Å; C566-K570 PolarHBondContact O-N 2.95Å; C566-K570 VanDerWaalsContact O-N 3.11Å; C566-L676 HydrophobicContact CB-CD2 3.95Å |
| 567 | L | 93.2 | Very high | 90.7 | Very high | 50 Ų | 50 | 26.1 Ų | 26.1 | 26% | 0.262 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.9 | -49.3 | 176.6 | -175.6 | 155.3 | 0 | 0 | 0 | 111.4 | Y506 E563 L564 K570 Q571 | Y506-L567 HydrophobicContact CD2-CD2 3.68Å; Y506-L567 HydrophobicContact CE2-CD1 4.34Å; Y506-L567 HydrophobicContact CE2-CD2 3.68Å; E563-L567 WeakPolarHBondContact O-CB 3.23Å; E563-L567 PolarHBondContact O-N 3.17Å; L564-L567 HydrophobicContact CD1-CD2 4.43Å; L564-L567 PolarHBondContact O-N 2.87Å; L567-K570 PolarHBondContact O-N 2.91Å; L567-Q571 HydrophobicContact CD2-CG 4.31Å; L567-Q571 WeakPolarHBondContact O-CG 3.35Å; L567-Q571 PolarHBondContact O-N 3.04Å |
| 568 | L | 92.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67 | -39.5 | -178.5 | -75.7 | 169.1 | 0 | 0 | 0 | 112.7 | L502 L505 L543 L564 Q571 Q572 | L502-L568 HydrophobicContact CB-CD1 4.02Å; L502-L568 HydrophobicContact CD2-CD1 3.69Å; L502-L568 HydrophobicContact CG-CD1 4.46Å; L505-L568 HydrophobicContact CB-CD1 4.45Å; L543-L568 HydrophobicContact CD1-CB 4.13Å; L543-L568 HydrophobicContact CD2-CB 4.43Å; L564-L568 HydrophobicContact CD1-CD1 4.42Å; L564-L568 HydrophobicContact CD1-CG 4.45Å; L564-L568 HydrophobicContact CG-CD1 4.16Å; L564-L568 WeakPolarHBondContact O-CB 3.45Å; L564-L568 WeakPolarHBondContact O-CG 3.46Å; L564-L568 PolarHBondContact O-N 3.28Å; L568-Q571 PolarHBondContact O-N 3.04Å; L568-Q572 WeakPolarHBondContact O-CG 3.35Å; L568-Q572 PolarHBondContact O-N 2.88Å; L568-Q572 VanDerWaalsContact O-N 3.16Å; L568-Q572 PolarHBondContact O-NE2 3.29Å |
| 569 | L | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.5 | -45.8 | 175.8 | -176.2 | 59.7 | 0 | 0 | 0 | 110.5 | A540 L543 I544 M547 S565 Q571 Q572 V573 L589 L676 | A540-L569 HydrophobicContact CB-CD1 3.78Å; L543-L569 HydrophobicContact CB-CB 4.38Å; L543-L569 HydrophobicContact CD1-CB 4.01Å; L543-L569 HydrophobicContact CD1-CD1 4.41Å; I544-L569 HydrophobicContact CD1-CD2 4.21Å; I544-L569 HydrophobicContact CG1-CD2 3.7Å; M547-L569 HydrophobicContact CE-CB 3.92Å; M547-L569 HydrophobicContact CE-CD2 3.71Å; M547-L569 HydrophobicContact CE-CG 4.48Å; M547-L569 HydrophobicContact SD-CD2 4.01Å; S565-L569 WeakPolarHBondContact O-CB 3.4Å; S565-L569 PolarHBondContact O-N 3.38Å; L569-Q571 VanDerWaalsContact C-N 3.33Å; L569-Q571 PolarHBondContact O-N 2.92Å; L569-Q572 PolarHBondContact O-N 2.92Å; L569-Q572 VanDerWaalsContact O-N 3.16Å; L569-V573 HydrophobicContact CD1-CG1 4.14Å; L569-V573 WeakPolarHBondContact O-CG2 3.36Å; L569-V573 PolarHBondContact O-N 3.33Å; L569-V573 VanDerWaalsContact O-N 3.11Å; L569-L589 HydrophobicContact CD2-CD2 4.49Å; L569-L676 HydrophobicContact CD2-CD2 4.28Å |
| 570 | K | 91.8 | Very high | 89.7 | Confident | 74 Ų | 74 | 31.2 Ų | 31.2 | 32% | 0.322 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -55.7 | -45.5 | 175.3 | 180 | -178.4 | 173.5 | -179.6 | 0 | 112.1 | C566 L567 Q572 V573 L574 L676 Q679 | C566-K570 WeakPolarHBondContact O-CB 2.89Å; C566-K570 PolarHBondContact O-N 2.95Å; C566-K570 VanDerWaalsContact O-N 3.11Å; L567-K570 PolarHBondContact O-N 2.91Å; K570-Q572 VanDerWaalsContact C-N 3.27Å; K570-Q572 PolarHBondContact O-N 3Å; K570-V573 PolarHBondContact O-N 3.4Å; K570-L574 HydrophobicContact CD-CD2 4.45Å; K570-L574 HydrophobicContact CG-CB 4.26Å; K570-L574 HydrophobicContact CG-CD2 3.99Å; K570-L574 WeakPolarHBondContact O-CB 3.47Å; K570-L574 PolarHBondContact O-N 3.13Å; K570-L676 HydrophobicContact CB-CD1 3.88Å; K570-Q679 VanDerWaalsContact CE-OE1 3.31Å |
| 571 | Q | 88.8 | Confident | 89.5 | Confident | 55 Ų | 55 | 31.9 Ų | 31.9 | 26% | 0.257 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.6 | -23 | -179.6 | -73.4 | -179.2 | -28.1 | 0 | 0 | 114.2 | H510 P525 K532 L567 L568 L569 | H510-Q571 PolarHBondContact CE1-NE2 3Å; H510-Q571 VanDerWaalsContact CE1-NE2 3.29Å; H510-Q571 PolarHBondContact CE1-OE1 2.75Å; H510-Q571 VanDerWaalsContact CE1-OE1 3.28Å; H510-Q571 PolarHBondContact NE2-NE2 2.78Å; P525-Q571 HydrophobicContact CB-CB 3.83Å; P525-Q571 WeakPolarHBondContact CB-O 3.32Å; P525-Q571 HydrophobicContact CG-CB 3.71Å; K532-Q571 PolarHBondContact NZ-O 3.5Å; L567-Q571 HydrophobicContact CD2-CG 4.31Å; L567-Q571 WeakPolarHBondContact O-CG 3.35Å; L567-Q571 PolarHBondContact O-N 3.04Å; L568-Q571 PolarHBondContact O-N 3.04Å; L569-Q571 VanDerWaalsContact C-N 3.33Å; L569-Q571 PolarHBondContact O-N 2.92Å |
| 572 | Q | 85.8 | Confident | 89.2 | Confident | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.028 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -79.2 | -45.2 | 174.5 | -73.6 | 171.7 | 48.7 | 0 | 0 | 112.3 | P525 L539 L568 L569 K570 | P525-Q572 HydrophobicContact CG-CG 3.64Å; L539-Q572 VanDerWaalsContact CD2-NE2 3.28Å; L568-Q572 WeakPolarHBondContact O-CG 3.35Å; L568-Q572 PolarHBondContact O-N 2.88Å; L568-Q572 VanDerWaalsContact O-N 3.16Å; L568-Q572 PolarHBondContact O-NE2 3.29Å; L569-Q572 PolarHBondContact O-N 2.92Å; L569-Q572 VanDerWaalsContact O-N 3.16Å; K570-Q572 VanDerWaalsContact C-N 3.27Å; K570-Q572 PolarHBondContact O-N 3Å |
| 573 | V | 89.4 | Confident | 89 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -103.6 | -15.2 | -168.2 | -50.4 | 0 | 0 | 0 | 0 | 115.4 | Y535 L569 K570 C579 I580 M581 L680 | Y535-V573 HydrophobicContact CD1-CG1 4.28Å; Y535-V573 HydrophobicContact CD2-CG1 3.77Å; Y535-V573 HydrophobicContact CE2-CG1 4.13Å; Y535-V573 HydrophobicContact CG-CG1 3.85Å; L569-V573 HydrophobicContact CD1-CG1 4.14Å; L569-V573 WeakPolarHBondContact O-CG2 3.36Å; L569-V573 PolarHBondContact O-N 3.33Å; L569-V573 VanDerWaalsContact O-N 3.11Å; K570-V573 PolarHBondContact O-N 3.4Å; V573-C579 CarbonylContact O-C 3.48Å; V573-C579 WeakPolarHBondContact O-CA 3.33Å; V573-I580 WeakPolarHBondContact O-CG1 3.34Å; V573-I580 PolarHBondContact O-N 3.46Å; V573-M581 HydrophobicContact CB-CB 3.96Å; V573-M581 HydrophobicContact CG1-CB 4.04Å; V573-M581 HydrophobicContact CG1-CG 4.23Å; V573-M581 HydrophobicContact CG1-SD 4.26Å; V573-M581 HydrophobicContact CG2-CB 4.21Å; V573-M581 HydrophobicContact CG2-SD 4.37Å; V573-L680 HydrophobicContact CG2-CD1 3.9Å; V573-L680 HydrophobicContact CG2-CD2 3.63Å; V573-L680 HydrophobicContact CG2-CG 4.42Å |
| 574 | L | 87.1 | Confident | 89 | Confident | 57 Ų | 57 | 46.5 Ų | 46.5 | 30% | 0.298 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 131.7 | -180 | -167.4 | 66.3 | 0 | 0 | 0 | 111.5 | K570 L680 | K570-L574 HydrophobicContact CD-CD2 4.45Å; K570-L574 HydrophobicContact CG-CB 4.26Å; K570-L574 HydrophobicContact CG-CD2 3.99Å; K570-L574 WeakPolarHBondContact O-CB 3.47Å; K570-L574 PolarHBondContact O-N 3.13Å; L574-L680 HydrophobicContact CB-CD2 4.21Å; L574-L680 HydrophobicContact CD1-CD2 4.36Å |
| 575 | T | 83.1 | Confident | 88.9 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 18% | 0.178 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 173.7 | -179.3 | 73.9 | 0 | 0 | 0 | 0 | 111.2 | K532 A577 G578 I580 | K532-T575 HydrophobicContact CB-CG2 3.97Å; T575-A577 PolarHBondContact O-N 3.33Å; T575-A577 PolarHBondContact OG1-N 3.25Å; T575-G578 WeakPolarHBondContact CB-O 3.38Å; T575-G578 PolarHBondContact N-O 3.2Å; T575-G578 PolarHBondContact O-N 3.22Å; T575-G578 PolarHBondContact OG1-N 3.39Å; T575-G578 PolarHBondContact OG1-O 3.07Å; T575-I580 HydrophobicContact CG2-CD1 4.49Å; T575-I580 HydrophobicContact CG2-CG1 4.35Å; T575-I580 HydrophobicContact CG2-CG2 3.94Å |
| 576 | S | 76.4 | Confident | 88.9 | Confident | 103 Ų | 103 | 50.3 Ų | 50.3 | 72% | 0.72 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.1 | 169.6 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | V530 | V530-S576 PolarHBondContact O-OG 2.81Š|
| 577 | A | 75.1 | Confident | 88.8 | Confident | 98 Ų | 98 | 52.7 Ų | 52.7 | 81% | 0.81 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -9.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T575 | T575-A577 PolarHBondContact O-N 3.33Å; T575-A577 PolarHBondContact OG1-N 3.25Å |
| 578 | G | 82.5 | Confident | 89 | Confident | 33 Ų | 33 | 53.3 Ų | 53.3 | 34% | 0.34 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.3 | -164.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T575 | T575-G578 WeakPolarHBondContact CB-O 3.38Å; T575-G578 PolarHBondContact N-O 3.2Å; T575-G578 PolarHBondContact O-N 3.22Å; T575-G578 PolarHBondContact OG1-N 3.39Å; T575-G578 PolarHBondContact OG1-O 3.07Å |
| 579 | C | 87.8 | Confident | 89.2 | Confident | 47 Ų | 47 | 53.2 Ų | 53.2 | 32% | 0.318 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.9 | 176.9 | -174.6 | 0 | 0 | 0 | 0 | 111 | V573 M581 L680 | V573-C579 CarbonylContact O-C 3.48Å; V573-C579 WeakPolarHBondContact O-CA 3.33Å; C579-M581 VanDerWaalsContact SG-CB 3.58Å; C579-L680 WeakPolarHBondContact CB-O 3.11Å |
| 580 | I | 90.3 | Very high | 89.3 | Confident | 45 Ų | 45 | 54.2 Ų | 54.2 | 23% | 0.231 | 33% | 0.327 | C | S | . | . | trans | -100.7 | 14.4 | 179.1 | 62.4 | 162.4 | 0 | 0 | 0 | 113.5 | K532 Y535 V573 T575 | K532-I580 HydrophobicContact CB-CD1 4.22Å; Y535-I580 HydrophobicContact CD1-CD1 4.17Å; Y535-I580 HydrophobicContact CD1-CG1 4.15Å; Y535-I580 WeakPolarHBondContact CD1-O 3.2Å; Y535-I580 WeakPolarHBondContact CE1-O 3.35Å; V573-I580 WeakPolarHBondContact O-CG1 3.34Å; V573-I580 PolarHBondContact O-N 3.46Å; T575-I580 HydrophobicContact CG2-CD1 4.49Å; T575-I580 HydrophobicContact CG2-CG1 4.35Å; T575-I580 HydrophobicContact CG2-CG2 3.94Å | ||
| 581 | M | 90.9 | Very high | 89.5 | Confident | 17 Ų | 17 | 52 Ų | 52 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | trans | -73.4 | 138.4 | -176.5 | -169 | 162.2 | 57.5 | 0 | 0 | 112.3 | I544 V573 C579 H585 L586 L589 L680 | I544-M581 HydrophobicContact CD1-SD 4.46Å; V573-M581 HydrophobicContact CB-CB 3.96Å; V573-M581 HydrophobicContact CG1-CB 4.04Å; V573-M581 HydrophobicContact CG1-CG 4.23Å; V573-M581 HydrophobicContact CG1-SD 4.26Å; V573-M581 HydrophobicContact CG2-CB 4.21Å; V573-M581 HydrophobicContact CG2-SD 4.37Å; C579-M581 VanDerWaalsContact SG-CB 3.58Å; M581-H585 HydrophobicContact CG-CB 3.63Å; M581-H585 HydrophobicContact SD-CB 3.86Å; M581-L586 HydrophobicContact CE-CB 3.95Å; M581-L586 HydrophobicContact CE-CD1 3.68Å; M581-L586 HydrophobicContact CE-CG 4.42Å; M581-L589 HydrophobicContact CE-CD2 3.96Å; M581-L680 HydrophobicContact CE-CD1 3.65Å | ||
| 582 | K | 90.7 | Very high | 89.8 | Confident | 108 Ų | 108 | 49.3 Ų | 49.3 | 47% | 0.47 | 31% | 0.312 | S | S | . | . | trans | -65.4 | 143.4 | 174.4 | -72.8 | 175 | 162.8 | 172.1 | 0 | 111.9 | Y535 H537 V584 H585 L586 | Y535-K582 HydrophobicContact CE1-CG 4.41Å; Y535-K582 WeakPolarHBondContact OH-CB 3.27Å; Y535-K582 PolarHBondContact OH-N 3.44Å; H537-K582 PolarHBondContact CD2-NZ 2.93Å; H537-K582 VanDerWaalsContact CD2-NZ 3.3Å; H537-K582 VanDerWaalsContact NE2-CE 3.35Å; H537-K582 WeakPolarHBondContact NE2-CE 3.45Å; H537-K582 PolarHBondContact NE2-NZ 3.13Å; K582-V584 PolarHBondContact O-N 2.97Å; K582-V584 VanDerWaalsContact O-N 3.1Å; K582-H585 WeakPolarHBondContact O-CA 3.26Å; K582-H585 WeakPolarHBondContact O-CB 3.49Å; K582-H585 PolarHBondContact O-N 2.94Å; K582-L586 PolarHBondContact O-N 3.36Å | ||
| 583 | D | 91.1 | Very high | 90.3 | Very high | 135 Ų | 135 | 51 Ų | 51 | 72% | 0.722 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -50.6 | -37.9 | 179 | -60.5 | -20.3 | 0 | 0 | 0 | 113.9 | L586 A587 | D583-L586 PolarHBondContact O-N 3.01Å; D583-A587 WeakPolarHBondContact O-CB 3.34Å; D583-A587 PolarHBondContact O-N 3.27Å |
| 584 | V | 93.6 | Very high | 90.6 | Very high | 105 Ų | 105 | 55.7 Ų | 55.7 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.2 | -44.4 | 176.5 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | K582 A587 C588 | K582-V584 PolarHBondContact O-N 2.97Å; K582-V584 VanDerWaalsContact O-N 3.1Å; V584-A587 PolarHBondContact O-N 2.84Å; V584-C588 PolarHBondContact O-N 2.62Å; V584-C588 PolarHBondContact O-SG 3.4Å |
| 585 | H | 94.3 | Very high | 91 | Very high | 27 Ų | 27 | 57.2 Ų | 57.2 | 13% | 0.125 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.7 | -36.1 | 178.9 | -69.7 | -146 | 0 | 0 | 0 | 110.7 | Y535 H537 I544 M581 K582 C588 L589 | Y535-H585 AromaticContact CE2-ND1 3.79Å; Y535-H585 PolarHBondContact OH-ND1 3.11Å; H537-H585 PolarHBondContact O-CE1 2.7Å; I544-H585 HydrophobicContact CD1-CB 3.82Å; I544-H585 WeakPolarHBondContact CD1-O 3.33Å; M581-H585 HydrophobicContact CG-CB 3.63Å; M581-H585 HydrophobicContact SD-CB 3.86Å; K582-H585 WeakPolarHBondContact O-CA 3.26Å; K582-H585 WeakPolarHBondContact O-CB 3.49Å; K582-H585 PolarHBondContact O-N 2.94Å; H585-C588 PolarHBondContact O-N 3.14Å; H585-L589 WeakPolarHBondContact O-CB 3.34Å; H585-L589 PolarHBondContact O-N 3.16Å |
| 586 | L | 93.8 | Very high | 91.7 | Very high | 53 Ų | 53 | 55.8 Ų | 55.8 | 28% | 0.277 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 172.2 | -175.7 | 60.3 | 0 | 0 | 0 | 111.1 | M581 K582 D583 C588 L589 E590 | M581-L586 HydrophobicContact CE-CB 3.95Å; M581-L586 HydrophobicContact CE-CD1 3.68Å; M581-L586 HydrophobicContact CE-CG 4.42Å; K582-L586 PolarHBondContact O-N 3.36Å; D583-L586 PolarHBondContact O-N 3.01Å; L586-C588 PolarHBondContact O-N 3.28Å; L586-L589 PolarHBondContact O-N 2.91Å; L586-E590 HydrophobicContact CD1-CG 4.1Å; L586-E590 HydrophobicContact CG-CG 4.24Å; L586-E590 WeakPolarHBondContact O-CB 3.39Å; L586-E590 WeakPolarHBondContact O-CG 3.43Å; L586-E590 PolarHBondContact O-N 3Å |
| 587 | A | 94.6 | Very high | 92.6 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 53% | 0.529 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D583 V584 L589 E590 G591 | D583-A587 WeakPolarHBondContact O-CB 3.34Å; D583-A587 PolarHBondContact O-N 3.27Å; V584-A587 PolarHBondContact O-N 2.84Å; A587-L589 PolarHBondContact O-N 2.92Å; A587-E590 PolarHBondContact O-N 2.92Å; A587-G591 PolarHBondContact O-N 2.63Å |
| 588 | C | 96.1 | Very high | 93.5 | Very high | 62 Ų | 62 | 51.7 Ų | 51.7 | 42% | 0.419 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.4 | -32 | 176.1 | -66.2 | 0 | 0 | 0 | 0 | 113.7 | I544 N548 V584 H585 L586 A592 | I544-C588 HydrophobicContact CG2-CB 3.68Å; N548-C588 PolarHBondContact ND2-O 2.73Å; V584-C588 PolarHBondContact O-N 2.62Å; V584-C588 PolarHBondContact O-SG 3.4Å; H585-C588 PolarHBondContact O-N 3.14Å; L586-C588 PolarHBondContact O-N 3.28Å; C588-A592 PolarHBondContact O-N 3.03Å |
| 589 | L | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.8 | -41.1 | 172.7 | 174.5 | 64.2 | 0 | 0 | 0 | 112 | M547 L569 M581 H585 L586 A587 G591 A592 R593 L673 L676 L680 | M547-L589 HydrophobicContact SD-CD1 3.59Å; M547-L589 VanDerWaalsContact SD-CD1 3.59Å; L569-L589 HydrophobicContact CD2-CD2 4.49Å; M581-L589 HydrophobicContact CE-CD2 3.96Å; H585-L589 WeakPolarHBondContact O-CB 3.34Å; H585-L589 PolarHBondContact O-N 3.16Å; L586-L589 PolarHBondContact O-N 2.91Å; A587-L589 PolarHBondContact O-N 2.92Å; L589-G591 VanDerWaalsContact C-N 3.33Å; L589-A592 WeakPolarHBondContact O-CB 3.36Å; L589-A592 PolarHBondContact O-N 3.01Å; L589-R593 PolarHBondContact O-N 3.25Å; L589-L673 HydrophobicContact CD1-CD2 4.44Å; L589-L676 HydrophobicContact CD1-CD2 4.02Å; L589-L676 HydrophobicContact CD2-CD2 4.34Å; L589-L676 HydrophobicContact CD2-CG 4.31Å; L589-L680 HydrophobicContact CD2-CD1 3.67Å |
| 590 | E | 95.4 | Very high | 94.5 | Very high | 21 Ų | 21 | 48.6 Ų | 48.6 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.2 | -38 | 178.2 | -66.5 | -84.9 | 127.6 | 0 | 0 | 110.7 | L586 A587 R593 E594 S677 R681 | L586-E590 HydrophobicContact CD1-CG 4.1Å; L586-E590 HydrophobicContact CG-CG 4.24Å; L586-E590 WeakPolarHBondContact O-CB 3.39Å; L586-E590 WeakPolarHBondContact O-CG 3.43Å; L586-E590 PolarHBondContact O-N 3Å; A587-E590 PolarHBondContact O-N 2.92Å; E590-R593 WeakPolarHBondContact O-CB 3.5Å; E590-R593 PolarHBondContact O-N 3.35Å; E590-R593 IonicContact OE1-CZ 3.82Å; E590-R593 IonicContact OE1-NH1 3.49Å; E590-R593 PolarHBondContact OE1-NH1 3.17Å; E590-R593 VanDerWaalsContact OE1-NH1 3.09Å; E590-R593 IonicContact OE2-CZ 2.72Å; E590-R593 IonicContact OE2-NH1 3.65Å; E590-R593 PolarHBondContact OE2-NH1 3.11Å; E590-R593 IonicContact OE2-NH2 2.7Å; E590-R593 PolarHBondContact OE2-NH2 3.01Å; E590-E594 PolarHBondContact O-N 3.07Å; E590-S677 PolarHBondContact OE1-OG 3.04Å; E590-R681 IonicContact OE1-CZ 3.81Å; E590-R681 IonicContact OE1-NE 3.14Å; E590-R681 PolarHBondContact OE1-NE 3.46Å; E590-R681 VanDerWaalsContact OE1-NE 3.07Å; E590-R681 IonicContact OE1-NH2 3.92Å; E590-R681 IonicContact OE2-CZ 2.67Å; E590-R681 IonicContact OE2-NE 3.36Å; E590-R681 IonicContact OE2-NH2 2.84Å; E590-R681 PolarHBondContact OE2-NH2 3.45Å |
| 591 | G | 96.4 | Very high | 94.6 | Very high | 26 Ų | 26 | 49.1 Ų | 49.1 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 168 | 0 | 0 | 0 | 0 | 0 | 113 | A587 L589 R593 E594 E595 | A587-G591 PolarHBondContact O-N 2.63Å; L589-G591 VanDerWaalsContact C-N 3.33Å; G591-R593 VanDerWaalsContact C-N 3.28Å; G591-R593 PolarHBondContact O-N 2.92Å; G591-E594 PolarHBondContact O-N 3.15Å; G591-E594 VanDerWaalsContact O-N 3.11Å; G591-E595 PolarHBondContact O-N 3.12Å |
| 592 | A | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.7 | -38.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M547 N548 C588 L589 S596 L673 | M547-A592 HydrophobicContact CB-CB 4.26Å; N548-A592 WeakPolarHBondContact OD1-CA 3.17Å; N548-A592 WeakPolarHBondContact OD1-CB 3.37Å; C588-A592 PolarHBondContact O-N 3.03Å; L589-A592 WeakPolarHBondContact O-CB 3.36Å; L589-A592 PolarHBondContact O-N 3.01Å; A592-S596 PolarHBondContact O-N 3.41Å; A592-L673 HydrophobicContact CB-CD1 4.11Å; A592-L673 WeakPolarHBondContact O-CD1 3.43Å |
| 593 | R | 96.3 | Very high | 94.7 | Very high | 42 Ų | 42 | 52 Ų | 52 | 16% | 0.158 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.3 | -44.8 | 173 | -176.8 | -154.7 | 62.4 | -144 | -14.1 | 111 | L589 E590 G591 S596 V597 L673 S677 | L589-R593 PolarHBondContact O-N 3.25Å; E590-R593 WeakPolarHBondContact O-CB 3.5Å; E590-R593 PolarHBondContact O-N 3.35Å; E590-R593 IonicContact OE1-CZ 3.82Å; E590-R593 IonicContact OE1-NH1 3.49Å; E590-R593 PolarHBondContact OE1-NH1 3.17Å; E590-R593 VanDerWaalsContact OE1-NH1 3.09Å; E590-R593 IonicContact OE2-CZ 2.72Å; E590-R593 IonicContact OE2-NH1 3.65Å; E590-R593 PolarHBondContact OE2-NH1 3.11Å; E590-R593 IonicContact OE2-NH2 2.7Å; E590-R593 PolarHBondContact OE2-NH2 3.01Å; G591-R593 VanDerWaalsContact C-N 3.28Å; G591-R593 PolarHBondContact O-N 2.92Å; R593-S596 WeakPolarHBondContact O-CB 3.49Å; R593-S596 PolarHBondContact O-N 2.81Å; R593-S596 VanDerWaalsContact O-N 3.14Å; R593-S596 PolarHBondContact O-OG 2.94Å; R593-V597 PolarHBondContact O-N 3.16Å; R593-L673 HydrophobicContact CB-CB 4.24Å; R593-L673 HydrophobicContact CG-CB 4.48Å; R593-S677 PolarHBondContact NH1-OG 3.32Å |
| 594 | E | 95.7 | Very high | 94.7 | Very high | 98 Ų | 98 | 48.1 Ų | 48.1 | 46% | 0.458 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 178.9 | -78.7 | 161.8 | -146.7 | 0 | 0 | 112.1 | E590 G591 S596 V597 H598 | E590-E594 PolarHBondContact O-N 3.07Å; G591-E594 PolarHBondContact O-N 3.15Å; G591-E594 VanDerWaalsContact O-N 3.11Å; E594-S596 VanDerWaalsContact C-N 3.29Å; E594-S596 PolarHBondContact O-N 2.95Å; E594-V597 WeakPolarHBondContact O-CA 3.38Å; E594-V597 WeakPolarHBondContact O-CB 3.28Å; E594-V597 PolarHBondContact O-N 3.32Å; E594-H598 PolarHBondContact O-CD2 3.29Å; E594-H598 VanDerWaalsContact O-CD2 3.3Å; E594-H598 PolarHBondContact O-N 3.19Å |
| 595 | E | 95.6 | Very high | 94.3 | Very high | 88 Ų | 88 | 50.3 Ų | 50.3 | 41% | 0.411 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.7 | -38.9 | 170.1 | -73.1 | -58.6 | 147.9 | 0 | 0 | 112 | A551 G591 V597 H598 L599 | A551-E595 HydrophobicContact CB-CB 3.86Å; G591-E595 PolarHBondContact O-N 3.12Å; E595-V597 VanDerWaalsContact C-N 3.3Å; E595-V597 PolarHBondContact O-N 2.76Å; E595-H598 CarbonylContact O-C 3.37Å; E595-H598 WeakPolarHBondContact O-CB 3.39Å; E595-H598 PolarHBondContact O-N 3.5Å; E595-H598 VanDerWaalsContact O-N 3.14Å; E595-L599 WeakPolarHBondContact O-CB 3.31Å; E595-L599 PolarHBondContact O-N 3.06Å |
| 596 | S | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.5 | -30.4 | 174.5 | 80.7 | 0 | 0 | 0 | 0 | 113.7 | A592 R593 E594 V600 F670 | A592-S596 PolarHBondContact O-N 3.41Å; R593-S596 WeakPolarHBondContact O-CB 3.49Å; R593-S596 PolarHBondContact O-N 2.81Å; R593-S596 VanDerWaalsContact O-N 3.14Å; R593-S596 PolarHBondContact O-OG 2.94Å; E594-S596 VanDerWaalsContact C-N 3.29Å; E594-S596 PolarHBondContact O-N 2.95Å; S596-V600 WeakPolarHBondContact O-CG2 3.45Å; S596-V600 PolarHBondContact O-N 3.15Å; S596-V600 VanDerWaalsContact O-N 3.11Å; S596-F670 WeakPolarHBondContact OG-CA 3.32Å |
| 597 | V | 96.1 | Very high | 92.9 | Very high | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.9 | -45.9 | 170.3 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | R593 E594 E595 L599 V600 R601 F670 L827 | R593-V597 PolarHBondContact O-N 3.16Å; E594-V597 WeakPolarHBondContact O-CA 3.38Å; E594-V597 WeakPolarHBondContact O-CB 3.28Å; E594-V597 PolarHBondContact O-N 3.32Å; E595-V597 VanDerWaalsContact C-N 3.3Å; E595-V597 PolarHBondContact O-N 2.76Å; V597-L599 VanDerWaalsContact C-N 3.31Å; V597-L599 PolarHBondContact O-N 2.92Å; V597-V600 PolarHBondContact O-N 3.42Å; V597-R601 HydrophobicContact CG1-CG 4.38Å; V597-R601 VanDerWaalsContact CG1-CZ 3.46Å; V597-R601 VanDerWaalsContact O-CG 3.3Å; V597-R601 WeakPolarHBondContact O-CG 3.47Å; V597-R601 PolarHBondContact O-N 2.77Å; V597-F670 HydrophobicContact CG2-CD2 3.79Å; V597-F670 HydrophobicContact CG2-CE2 3.74Å; V597-L827 HydrophobicContact CG1-CB 4.2Å; V597-L827 HydrophobicContact CG1-CD2 3.96Å |
| 598 | H | 94.4 | Very high | 92.1 | Very high | 106 Ų | 106 | 54.4 Ų | 54.4 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.4 | -39 | 174.8 | -81.7 | -87 | 0 | 0 | 0 | 112.9 | E594 E595 R601 H602 | E594-H598 PolarHBondContact O-CD2 3.29Å; E594-H598 VanDerWaalsContact O-CD2 3.3Å; E594-H598 PolarHBondContact O-N 3.19Å; E595-H598 CarbonylContact O-C 3.37Å; E595-H598 WeakPolarHBondContact O-CB 3.39Å; E595-H598 PolarHBondContact O-N 3.5Å; E595-H598 VanDerWaalsContact O-N 3.14Å; H598-R601 PolarHBondContact CD2-NH1 2.98Å; H598-R601 PolarHBondContact CE1-NH1 3.27Å; H598-R601 PolarHBondContact NE2-NH1 3.15Å; H598-R601 WeakPolarHBondContact O-CB 3.34Å; H598-R601 PolarHBondContact O-N 3.07Å; H598-H602 PolarHBondContact O-N 2.97Å |
| 599 | L | 94.4 | Very high | 91.7 | Very high | 14 Ų | 14 | 56.9 Ų | 56.9 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 173.7 | -179.4 | 64 | 0 | 0 | 0 | 111.8 | A551 P553 E595 V597 H602 F603 A666 | A551-L599 WeakPolarHBondContact O-CD2 3.32Å; P553-L599 HydrophobicContact CB-CD1 3.88Å; E595-L599 WeakPolarHBondContact O-CB 3.31Å; E595-L599 PolarHBondContact O-N 3.06Å; V597-L599 VanDerWaalsContact C-N 3.31Å; V597-L599 PolarHBondContact O-N 2.92Å; L599-H602 WeakPolarHBondContact O-CB 3.18Å; L599-H602 PolarHBondContact O-N 3.1Å; L599-F603 HydrophobicContact CD1-CE2 4.14Å; L599-F603 WeakPolarHBondContact O-CD2 3.25Å; L599-A666 HydrophobicContact CD2-CB 3.78Å; L599-A666 HydrophobicContact CG-CB 3.69Å |
| 600 | V | 95.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.8 | -35.9 | 177.9 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | S596 V597 H602 F603 Y604 F610 A666 I667 F670 L827 | S596-V600 WeakPolarHBondContact O-CG2 3.45Å; S596-V600 PolarHBondContact O-N 3.15Å; S596-V600 VanDerWaalsContact O-N 3.11Å; V597-V600 PolarHBondContact O-N 3.42Å; V600-H602 PolarHBondContact O-N 3.38Å; V600-F603 PolarHBondContact O-N 3.44Å; V600-F603 VanDerWaalsContact O-N 3.09Å; V600-Y604 PolarHBondContact O-N 3.2Å; V600-Y604 VanDerWaalsContact O-N 3.08Å; V600-F610 HydrophobicContact CG1-CE2 4.4Å; V600-F610 HydrophobicContact CG1-CZ 3.75Å; V600-A666 VanDerWaalsContact CG2-C 3.46Å; V600-A666 HydrophobicContact CG2-CB 3.99Å; V600-A666 VanDerWaalsContact CG2-O 3.27Å; V600-A666 WeakPolarHBondContact CG2-O 3.23Å; V600-I667 HydrophobicContact CG1-CG1 4.45Å; V600-F670 HydrophobicContact CG2-CB 3.66Å; V600-F670 HydrophobicContact CG2-CG 4.27Å; V600-L827 HydrophobicContact CB-CD2 3.9Å; V600-L827 HydrophobicContact CG1-CD1 3.82Å; V600-L827 HydrophobicContact CG1-CD2 3.73Å; V600-L827 HydrophobicContact CG1-CG 4.43Å |
| 601 | R | 94.1 | Very high | 91.3 | Very high | 57 Ų | 57 | 56.2 Ų | 56.2 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.2 | -33.2 | 173.2 | -74.3 | 174.2 | -177.8 | 138.5 | 3.9 | 112.5 | V597 H598 F603 Y604 L827 D828 L829 | V597-R601 HydrophobicContact CG1-CG 4.38Å; V597-R601 VanDerWaalsContact CG1-CZ 3.46Å; V597-R601 VanDerWaalsContact O-CG 3.3Å; V597-R601 WeakPolarHBondContact O-CG 3.47Å; V597-R601 PolarHBondContact O-N 2.77Å; H598-R601 PolarHBondContact CD2-NH1 2.98Å; H598-R601 PolarHBondContact CE1-NH1 3.27Å; H598-R601 PolarHBondContact NE2-NH1 3.15Å; H598-R601 WeakPolarHBondContact O-CB 3.34Å; H598-R601 PolarHBondContact O-N 3.07Å; R601-F603 VanDerWaalsContact C-N 3.31Å; R601-F603 PolarHBondContact O-N 3.29Å; R601-Y604 PolarHBondContact O-N 3.49Å; R601-L827 HydrophobicContact CG-CB 4.26Å; R601-L827 PolarHBondContact NE-O 3.4Å; R601-L827 PolarHBondContact NH2-O 2.79Å; R601-D828 IonicContact CZ-OD2 3.44Å; R601-D828 VanDerWaalsContact NH2-CB 3.35Å; R601-D828 IonicContact NH2-OD2 3.74Å; R601-D828 PolarHBondContact NH2-OD2 3.45Å; R601-L829 HydrophobicContact CG-CD2 4.01Å; R601-L829 HydrophobicContact CG-CG 4.39Å |
| 602 | H | 91.3 | Very high | 91 | Very high | 148 Ų | 148 | 57.6 Ų | 57.6 | 69% | 0.685 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.2 | -35.1 | 177.8 | -172.5 | 88.3 | 0 | 0 | 0 | 113.2 | H598 L599 V600 | H598-H602 PolarHBondContact O-N 2.97Å; L599-H602 WeakPolarHBondContact O-CB 3.18Å; L599-H602 PolarHBondContact O-N 3.1Å; V600-H602 PolarHBondContact O-N 3.38Å |
| 603 | F | 90.8 | Very high | 90.8 | Very high | 37 Ų | 37 | 59.3 Ų | 59.3 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -91.7 | -13 | 178.7 | -59.9 | -78 | 0 | 0 | 0 | 113.2 | L599 V600 R601 K605 F610 K662 T663 A666 | L599-F603 HydrophobicContact CD1-CE2 4.14Å; L599-F603 WeakPolarHBondContact O-CD2 3.25Å; V600-F603 PolarHBondContact O-N 3.44Å; V600-F603 VanDerWaalsContact O-N 3.09Å; R601-F603 VanDerWaalsContact C-N 3.31Å; R601-F603 PolarHBondContact O-N 3.29Å; F603-K605 PolarHBondContact O-N 3.13Å; F603-K605 VanDerWaalsContact O-N 3.11Å; F603-F610 HydrophobicContact CB-CE2 4.16Å; F603-K662 HydrophobicContact CE1-CB 4.19Å; F603-K662 HydrophobicContact CZ-CB 3.9Å; F603-T663 HydrophobicContact CB-CG2 3.76Å; F603-T663 WeakPolarHBondContact CD1-OG1 3.35Å; F603-T663 HydrophobicContact CG-CG2 4.14Å; F603-A666 HydrophobicContact CD2-CB 3.92Å; F603-A666 HydrophobicContact CE2-CB 3.99Å |
| 604 | Y | 90.9 | Very high | 90.7 | Very high | 54 Ų | 54 | 57.3 Ų | 57.3 | 21% | 0.212 | 28% | 0.279 | C | S | . | . | trans | -70.8 | 103.7 | 178.3 | -177.5 | -86.4 | 0 | 0 | 0 | 111.4 | V600 R601 F610 M820 I823 L827 L829 | V600-Y604 PolarHBondContact O-N 3.2Å; V600-Y604 VanDerWaalsContact O-N 3.08Å; R601-Y604 PolarHBondContact O-N 3.49Å; Y604-F610 HydrophobicContact CD2-CD1 4.2Å; Y604-F610 AromaticContact CD2-CE1 3.77Å; Y604-F610 HydrophobicContact CD2-CE1 3.77Å; Y604-F610 HydrophobicContact CD2-CZ 4.25Å; Y604-M820 HydrophobicContact CD2-SD 4.32Å; Y604-M820 HydrophobicContact CE2-CG 4.2Å; Y604-M820 HydrophobicContact CE2-SD 3.44Å; Y604-M820 WeakPolarHBondContact CE2-SD 3.38Å; Y604-M820 WeakPolarHBondContact OH-CG 3.32Å; Y604-M820 PolarHBondContact OH-O 3.05Å; Y604-I823 HydrophobicContact CD2-CG2 4.32Å; Y604-I823 HydrophobicContact CE2-CB 4.48Å; Y604-I823 HydrophobicContact CE2-CG2 4.2Å; Y604-L827 HydrophobicContact CD2-CD1 3.82Å; Y604-L827 HydrophobicContact CG-CD1 4.2Å; Y604-L829 HydrophobicContact CD1-CD1 3.43Å; Y604-L829 VanDerWaalsContact CD1-CD1 3.43Å; Y604-L829 HydrophobicContact CE1-CD1 3.6Å; Y604-L829 HydrophobicContact CG-CD1 3.95Å | ||
| 605 | K | 85.5 | Confident | 90.5 | Very high | 151 Ų | 151 | 53.2 Ų | 53.2 | 66% | 0.657 | 26% | 0.26 | S | S | * | . | trans | -109.1 | -1.1 | 175 | -64.1 | 177.3 | -174.2 | 170.9 | 0 | 114 | F603 E607 | F603-K605 PolarHBondContact O-N 3.13Å; F603-K605 VanDerWaalsContact O-N 3.11Å; K605-E607 HydrophobicContact CB-CG 3.85Å; K605-E607 WeakPolarHBondContact CB-OE1 3.35Å; K605-E607 WeakPolarHBondContact CD-OE1 3.45Å; K605-E607 PolarHBondContact O-N 3.46Å | ||
| 606 | G | 76.4 | Confident | 90.1 | Very high | 39 Ų | 39 | 51.7 Ų | 51.7 | 40% | 0.402 | 25% | 0.254 | S | S | . | . | trans | 71 | 13.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 607 | E | 83 | Confident | 89.9 | Confident | 98 Ų | 98 | 52 Ų | 52 | 46% | 0.458 | 26% | 0.256 | S | S | . | . | trans | -79.3 | 144.9 | -179.8 | -67.4 | 172.6 | -155.9 | 0 | 0 | 112.2 | K605 I609 F610 M820 | K605-E607 HydrophobicContact CB-CG 3.85Å; K605-E607 WeakPolarHBondContact CB-OE1 3.35Å; K605-E607 WeakPolarHBondContact CD-OE1 3.45Å; K605-E607 PolarHBondContact O-N 3.46Å; E607-I609 VanDerWaalsContact C-N 3.25Å; E607-I609 PolarHBondContact O-N 3.2Å; E607-F610 WeakPolarHBondContact O-CB 3.46Å; E607-F610 PolarHBondContact O-N 3.4Å; E607-M820 WeakPolarHBondContact O-CE 3.3Å | ||
| 608 | D | 78.4 | Confident | 89.7 | Confident | 92 Ų | 92 | 53.8 Ų | 53.8 | 49% | 0.492 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.3 | -36.2 | -179.9 | -96 | -48.6 | 0 | 0 | 0 | 113.7 | F610 L611 D612 R816 | D608-F610 PolarHBondContact O-N 2.86Å; D608-L611 WeakPolarHBondContact O-CB 3.35Å; D608-L611 PolarHBondContact O-N 3.01Å; D608-L611 VanDerWaalsContact O-N 3.13Å; D608-D612 PolarHBondContact O-N 3.04Å; D608-R816 VanDerWaalsContact OD1-CD 3.31Å; D608-R816 WeakPolarHBondContact OD1-CD 3.17Å; D608-R816 IonicContact OD1-CZ 3.25Å; D608-R816 IonicContact OD1-NE 3.08Å; D608-R816 IonicContact OD1-NH1 2.83Å; D608-R816 PolarHBondContact OD1-NH1 3.35Å |
| 609 | I | 87.3 | Confident | 89.4 | Confident | 115 Ų | 115 | 52.2 Ų | 52.2 | 59% | 0.59 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.2 | -34.4 | 179.2 | -58.5 | 172.8 | 0 | 0 | 0 | 111 | E607 M613 | E607-I609 VanDerWaalsContact C-N 3.25Å; E607-I609 PolarHBondContact O-N 3.2Å; I609-M613 HydrophobicContact CG2-CE 4.37Å; I609-M613 WeakPolarHBondContact O-CG 3.45Å; I609-M613 PolarHBondContact O-N 3.41Å |
| 610 | F | 92.4 | Very high | 88.9 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.1 | -37.2 | 177.8 | -176.8 | -85.5 | 0 | 0 | 0 | 111.8 | V600 F603 Y604 E607 D608 F614 T663 I667 M820 I823 | V600-F610 HydrophobicContact CG1-CE2 4.4Å; V600-F610 HydrophobicContact CG1-CZ 3.75Å; F603-F610 HydrophobicContact CB-CE2 4.16Å; Y604-F610 HydrophobicContact CD2-CD1 4.2Å; Y604-F610 AromaticContact CD2-CE1 3.77Å; Y604-F610 HydrophobicContact CD2-CE1 3.77Å; Y604-F610 HydrophobicContact CD2-CZ 4.25Å; E607-F610 WeakPolarHBondContact O-CB 3.46Å; E607-F610 PolarHBondContact O-N 3.4Å; D608-F610 PolarHBondContact O-N 2.86Å; F610-F614 HydrophobicContact CE1-CD2 4.15Å; F610-F614 HydrophobicContact CZ-CD2 4.39Å; F610-F614 WeakPolarHBondContact O-CB 3.5Å; F610-F614 PolarHBondContact O-N 3.03Å; F610-T663 HydrophobicContact CD2-CG2 3.95Å; F610-T663 HydrophobicContact CE2-CG2 3.93Å; F610-I667 HydrophobicContact CE2-CD1 4.05Å; F610-I667 HydrophobicContact CE2-CG1 4.43Å; F610-I667 HydrophobicContact CZ-CD1 4.24Å; F610-I667 HydrophobicContact CZ-CG1 4.4Å; F610-M820 HydrophobicContact CD1-CE 4.37Å; F610-M820 HydrophobicContact CD1-SD 4.31Å; F610-I823 HydrophobicContact CE1-CG2 4.09Å |
| 611 | L | 91.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 174.9 | 172.1 | 60.9 | 0 | 0 | 0 | 111.2 | D608 F614 E615 L690 R816 K819 M820 I823 | D608-L611 WeakPolarHBondContact O-CB 3.35Å; D608-L611 PolarHBondContact O-N 3.01Å; D608-L611 VanDerWaalsContact O-N 3.13Å; L611-F614 PolarHBondContact O-N 3.22Å; L611-E615 HydrophobicContact CD1-CG 4.22Å; L611-E615 PolarHBondContact O-N 2.91Å; L611-L690 HydrophobicContact CD1-CD1 3.85Å; L611-R816 HydrophobicContact CD2-CB 3.89Å; L611-R816 HydrophobicContact CD2-CG 3.79Å; L611-K819 HydrophobicContact CD1-CB 3.7Å; L611-K819 HydrophobicContact CD1-CD 4.15Å; L611-K819 HydrophobicContact CD2-CB 4.09Å; L611-K819 HydrophobicContact CD2-CD 4.35Å; L611-M820 HydrophobicContact CB-CE 3.7Å; L611-I823 HydrophobicContact CD1-CD1 3.77Å |
| 612 | D | 88.9 | Confident | 87.9 | Confident | 55 Ų | 55 | 57.7 Ų | 57.7 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | -177.5 | -68 | -47.6 | 0 | 0 | 0 | 111.1 | D608 F614 D616 R816 | D608-D612 PolarHBondContact O-N 3.04Å; D612-F614 PolarHBondContact O-N 3.11Å; D612-D616 WeakPolarHBondContact O-CB 3.3Å; D612-D616 PolarHBondContact O-N 3.2Å; D612-D616 VanDerWaalsContact O-N 3.12Å; D612-R816 IonicContact OD1-CZ 3.62Å; D612-R816 IonicContact OD1-NH1 3.21Å; D612-R816 IonicContact OD1-NH2 2.86Å; D612-R816 PolarHBondContact OD1-NH2 3Å; D612-R816 IonicContact OD2-CZ 3.46Å; D612-R816 IonicContact OD2-NH1 3.11Å; D612-R816 PolarHBondContact OD2-NH1 3.23Å; D612-R816 IonicContact OD2-NH2 2.78Å; D612-R816 PolarHBondContact OD2-NH2 2.89Å |
| 613 | M | 91.8 | Very high | 87.4 | Confident | 35 Ų | 35 | 58.2 Ų | 58.2 | 17% | 0.172 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 170.6 | -72.1 | -168.4 | -59.6 | 0 | 0 | 113.1 | I609 D616 E617 V660 T663 R664 I667 | I609-M613 HydrophobicContact CG2-CE 4.37Å; I609-M613 WeakPolarHBondContact O-CG 3.45Å; I609-M613 PolarHBondContact O-N 3.41Å; M613-D616 PolarHBondContact O-N 3.24Å; M613-E617 WeakPolarHBondContact O-CG 3.44Å; M613-E617 PolarHBondContact O-N 3.24Å; M613-V660 HydrophobicContact SD-CG1 4.04Å; M613-T663 HydrophobicContact CE-CG2 3.58Å; M613-R664 HydrophobicContact SD-CG 4.05Å; M613-I667 HydrophobicContact CB-CD1 4.45Å |
| 614 | F | 94.4 | Very high | 86.8 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.5 | -39.2 | -176.8 | -172.7 | -83 | 0 | 0 | 0 | 112.1 | F610 L611 D612 Y618 I667 F670 F671 L688 L690 I823 L826 | F610-F614 HydrophobicContact CE1-CD2 4.15Å; F610-F614 HydrophobicContact CZ-CD2 4.39Å; F610-F614 WeakPolarHBondContact O-CB 3.5Å; F610-F614 PolarHBondContact O-N 3.03Å; L611-F614 PolarHBondContact O-N 3.22Å; D612-F614 PolarHBondContact O-N 3.11Å; F614-Y618 PolarHBondContact O-N 3.5Å; F614-I667 HydrophobicContact CB-CD1 4.34Å; F614-I667 HydrophobicContact CD2-CD1 4.3Å; F614-I667 HydrophobicContact CD2-CG1 4.18Å; F614-I667 HydrophobicContact CD2-CG2 4.02Å; F614-F670 HydrophobicContact CE2-CD1 4.36Å; F614-F670 HydrophobicContact CE2-CE1 4.11Å; F614-F670 HydrophobicContact CZ-CE1 4.04Å; F614-F671 AromaticContact CD1-CZ 3.87Å; F614-F671 HydrophobicContact CD1-CZ 3.87Å; F614-F671 HydrophobicContact CD2-CZ 4.02Å; F614-F671 AromaticContact CE1-CE1 3.81Å; F614-F671 HydrophobicContact CE1-CE1 3.81Å; F614-F671 AromaticContact CE1-CZ 3.62Å; F614-F671 HydrophobicContact CE1-CZ 3.62Å; F614-F671 AromaticContact CE2-CE1 3.9Å; F614-F671 HydrophobicContact CE2-CE1 3.9Å; F614-F671 AromaticContact CE2-CZ 3.78Å; F614-F671 HydrophobicContact CE2-CZ 3.78Å; F614-F671 HydrophobicContact CG-CZ 4.08Å; F614-F671 AromaticContact CZ-CE1 3.47Å; F614-F671 HydrophobicContact CZ-CE1 3.47Å; F614-F671 VanDerWaalsContact CZ-CE1 3.47Å; F614-F671 AromaticContact CZ-CZ 3.59Å; F614-F671 HydrophobicContact CZ-CZ 3.59Å; F614-L688 HydrophobicContact CE1-CD2 3.84Å; F614-L688 HydrophobicContact CZ-CD2 4.3Å; F614-L690 HydrophobicContact CD1-CD1 3.78Å; F614-L690 HydrophobicContact CD1-CG 4.41Å; F614-L690 HydrophobicContact CE1-CD1 3.94Å; F614-L690 HydrophobicContact CE1-CD2 4.18Å; F614-L690 HydrophobicContact CE1-CG 4.15Å; F614-I823 HydrophobicContact CB-CD1 4.19Å; F614-I823 HydrophobicContact CD1-CD1 3.8Å; F614-I823 HydrophobicContact CD1-CG1 3.96Å; F614-I823 HydrophobicContact CD2-CD1 4.43Å; F614-I823 HydrophobicContact CD2-CG2 4.26Å; F614-I823 HydrophobicContact CE1-CD1 4.22Å; F614-I823 HydrophobicContact CE1-CG1 3.84Å; F614-I823 HydrophobicContact CE2-CG2 3.9Å; F614-I823 HydrophobicContact CG-CD1 3.91Å; F614-I823 HydrophobicContact CG-CG1 4.37Å; F614-I823 HydrophobicContact CZ-CG1 4.15Å; F614-I823 HydrophobicContact CZ-CG2 4.06Å; F614-L826 HydrophobicContact CZ-CD1 4.32Å |
| 615 | E | 90.8 | Very high | 86.3 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.5 | -42.4 | 172.9 | -64.1 | -151.9 | 141.2 | 0 | 0 | 112.4 | L611 Y618 R619 L690 Q756 K819 | L611-E615 HydrophobicContact CD1-CG 4.22Å; L611-E615 PolarHBondContact O-N 2.91Å; E615-Y618 PolarHBondContact O-N 3.11Å; E615-R619 VanDerWaalsContact O-CG 3.28Å; E615-R619 WeakPolarHBondContact O-CG 3.34Å; E615-R619 PolarHBondContact O-N 3.21Å; E615-R619 IonicContact OE2-CZ 2.91Å; E615-R619 IonicContact OE2-NH1 3.9Å; E615-R619 IonicContact OE2-NH2 2.63Å; E615-R619 PolarHBondContact OE2-NH2 3.2Å; E615-L690 HydrophobicContact CG-CD1 4.18Å; E615-Q756 PolarHBondContact OE2-NE2 2.82Å; E615-K819 IonicContact OE1-NZ 3.48Å; E615-K819 PolarHBondContact OE1-NZ 3.05Å; E615-K819 IonicContact OE2-NZ 3.3Å; E615-K819 PolarHBondContact OE2-NZ 3.24Å |
| 616 | D | 88.9 | Confident | 86.4 | Confident | 55 Ų | 55 | 60.1 Ų | 60.1 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.5 | -36 | -177.3 | -79.8 | -8.1 | 0 | 0 | 0 | 113.1 | D612 M613 R619 S620 | D612-D616 WeakPolarHBondContact O-CB 3.3Å; D612-D616 PolarHBondContact O-N 3.2Å; D612-D616 VanDerWaalsContact O-N 3.12Å; M613-D616 PolarHBondContact O-N 3.24Å; D616-R619 PolarHBondContact O-N 2.94Å; D616-R619 IonicContact OD1-CZ 2.92Å; D616-R619 IonicContact OD1-NH1 3.34Å; D616-R619 PolarHBondContact OD1-NH1 3.39Å; D616-S620 WeakPolarHBondContact O-CB 3.45Å; D616-S620 PolarHBondContact O-N 3.45Å |
| 617 | E | 91.5 | Very high | 87 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.028 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.6 | -38 | 172.8 | -70.7 | -51.3 | 145.9 | 0 | 0 | 112.5 | M613 S620 M621 R664 I667 R668 F671 | M613-E617 WeakPolarHBondContact O-CG 3.44Å; M613-E617 PolarHBondContact O-N 3.24Å; E617-S620 PolarHBondContact O-N 3.09Å; E617-M621 WeakPolarHBondContact O-CB 3.44Å; E617-M621 PolarHBondContact O-N 3.18Å; E617-R664 HydrophobicContact CG-CB 4.32Å; E617-R664 HydrophobicContact CG-CG 4.38Å; E617-R664 IonicContact OE1-CZ 2.69Å; E617-R664 IonicContact OE1-NE 2.82Å; E617-R664 PolarHBondContact OE1-NE 3.33Å; E617-R664 IonicContact OE1-NH2 3.43Å; E617-R664 PolarHBondContact OE1-NH2 3.14Å; E617-I667 HydrophobicContact CB-CG2 3.82Å; E617-I667 HydrophobicContact CG-CG2 4.3Å; E617-R668 HydrophobicContact CB-CG 4.46Å; E617-R668 PolarHBondContact O-NE 2.99Å; E617-R668 IonicContact OE2-CZ 3.58Å; E617-R668 IonicContact OE2-NE 2.9Å; E617-R668 PolarHBondContact OE2-NE 2.55Å; E617-R668 IonicContact OE2-NH2 2.78Å; E617-R668 PolarHBondContact OE2-NH2 3.17Å; E617-F671 HydrophobicContact CB-CE2 4.22Å |
| 618 | Y | 91.3 | Very high | 87.5 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 18% | 0.184 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 175 | -172 | -97.8 | 0 | 0 | 0 | 111.8 | F614 E615 M621 T622 F671 L688 P689 | F614-Y618 PolarHBondContact O-N 3.5Å; E615-Y618 PolarHBondContact O-N 3.11Å; Y618-M621 PolarHBondContact O-N 3.46Å; Y618-T622 HydrophobicContact CD1-CG2 4.36Å; Y618-T622 HydrophobicContact CE1-CG2 3.9Å; Y618-T622 HydrophobicContact CE2-CG2 4.32Å; Y618-T622 WeakPolarHBondContact O-CG2 3.47Å; Y618-T622 PolarHBondContact O-N 2.85Å; Y618-T622 PolarHBondContact O-OG1 3.28Å; Y618-F671 HydrophobicContact CD2-CD1 4.03Å; Y618-F671 HydrophobicContact CD2-CD2 4.26Å; Y618-F671 AromaticContact CD2-CE1 3.93Å; Y618-F671 HydrophobicContact CD2-CE1 3.93Å; Y618-F671 HydrophobicContact CD2-CE2 4.16Å; Y618-F671 HydrophobicContact CD2-CG 4.22Å; Y618-F671 HydrophobicContact CD2-CZ 4Å; Y618-F671 HydrophobicContact CG-CE2 4.43Å; Y618-F671 HydrophobicContact CG-CZ 4.33Å; Y618-L688 HydrophobicContact CD2-CB 4.29Å; Y618-L688 HydrophobicContact CD2-CD1 4.04Å; Y618-L688 HydrophobicContact CE1-CB 4.3Å; Y618-L688 HydrophobicContact CE2-CB 3.61Å; Y618-L688 HydrophobicContact CE2-CD1 3.78Å; Y618-L688 HydrophobicContact CE2-CG 4.23Å; Y618-P689 HydrophobicContact CD1-CB 4.1Å; Y618-P689 HydrophobicContact CE1-CB 3.79Å; Y618-P689 HydrophobicContact CE1-CG 4.41Å |
| 619 | R | 87.7 | Confident | 88.1 | Confident | 72 Ų | 72 | 58.5 Ų | 58.5 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 173 | -71.8 | 167.7 | -175.4 | 131.4 | 12.3 | 111.3 | E615 D616 M621 T622 M623 | E615-R619 VanDerWaalsContact O-CG 3.28Å; E615-R619 WeakPolarHBondContact O-CG 3.34Å; E615-R619 PolarHBondContact O-N 3.21Å; E615-R619 IonicContact OE2-CZ 2.91Å; E615-R619 IonicContact OE2-NH1 3.9Å; E615-R619 IonicContact OE2-NH2 2.63Å; E615-R619 PolarHBondContact OE2-NH2 3.2Å; D616-R619 PolarHBondContact O-N 2.94Å; D616-R619 IonicContact OD1-CZ 2.92Å; D616-R619 IonicContact OD1-NH1 3.34Å; D616-R619 PolarHBondContact OD1-NH1 3.39Å; R619-M621 VanDerWaalsContact C-N 3.31Å; R619-M621 PolarHBondContact O-N 3.13Å; R619-T622 PolarHBondContact O-N 3.18Å; R619-T622 PolarHBondContact O-OG1 2.85Å; R619-M623 WeakPolarHBondContact O-CB 3.39Å; R619-M623 WeakPolarHBondContact O-CG 3.46Å; R619-M623 PolarHBondContact O-N 3.44Å |
| 620 | S | 84.6 | Confident | 88.4 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 47% | 0.469 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.4 | -31 | -178 | 173 | 0 | 0 | 0 | 0 | 112.7 | D616 E617 R668 | D616-S620 WeakPolarHBondContact O-CB 3.45Å; D616-S620 PolarHBondContact O-N 3.45Å; E617-S620 PolarHBondContact O-N 3.09Å; S620-R668 PolarHBondContact OG-NH2 3.16Å |
| 621 | M | 85.1 | Confident | 88.4 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 20% | 0.202 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.8 | -40.6 | 172.7 | -172.9 | 172.5 | 165 | 0 | 0 | 112.9 | E617 Y618 R619 R668 F671 M672 | E617-M621 WeakPolarHBondContact O-CB 3.44Å; E617-M621 PolarHBondContact O-N 3.18Å; Y618-M621 PolarHBondContact O-N 3.46Å; R619-M621 VanDerWaalsContact C-N 3.31Å; R619-M621 PolarHBondContact O-N 3.13Å; M621-R668 VanDerWaalsContact CA-NH1 3.31Å; M621-F671 HydrophobicContact CE-CB 4.35Å; M621-F671 HydrophobicContact SD-CB 3.52Å; M621-F671 VanDerWaalsContact SD-CB 3.52Å; M621-F671 HydrophobicContact SD-CG 4.47Å; M621-M672 HydrophobicContact CE-CB 4.43Å; M621-M672 HydrophobicContact CE-CG 3.71Å; M621-M672 HydrophobicContact SD-CG 4.19Å |
| 622 | T | 83.9 | Confident | 88.6 | Confident | 79 Ų | 79 | 59.8 Ų | 59.8 | 49% | 0.485 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -81.3 | -24 | -175.1 | 47.3 | 0 | 0 | 0 | 0 | 113.9 | Y618 R619 | Y618-T622 HydrophobicContact CD1-CG2 4.36Å; Y618-T622 HydrophobicContact CE1-CG2 3.9Å; Y618-T622 HydrophobicContact CE2-CG2 4.32Å; Y618-T622 WeakPolarHBondContact O-CG2 3.47Å; Y618-T622 PolarHBondContact O-N 2.85Å; Y618-T622 PolarHBondContact O-OG1 3.28Å; R619-T622 PolarHBondContact O-N 3.18Å; R619-T622 PolarHBondContact O-OG1 2.85Å |
| 623 | M | 80.6 | Confident | 88.8 | Confident | 159 Ų | 159 | 62.3 Ų | 62.3 | 78% | 0.783 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -82.2 | -24.9 | -176.8 | -72.8 | -74.9 | 160.9 | 0 | 0 | 115 | R619 | R619-M623 WeakPolarHBondContact O-CB 3.39Å; R619-M623 WeakPolarHBondContact O-CG 3.46Å; R619-M623 PolarHBondContact O-N 3.44Å |
| 624 | K | 78.8 | Confident | 88.8 | Confident | 148 Ų | 148 | 62.6 Ų | 62.6 | 64% | 0.643 | 31% | 0.312 | S | S | * | . | trans | -146.9 | 98.1 | -178.3 | -172.4 | -179.1 | -179.5 | -177.3 | 0 | 110.8 | ||||
| 625 | P | 80.7 | Confident | 88.7 | Confident | 96 Ų | 96 | 62.8 Ų | 62.8 | 62% | 0.623 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 152.7 | 170 | 29.6 | -35 | 0 | 0 | 0 | 110.4 | N627 | P625-N627 PolarHBondContact O-N 3.27Š|
| 626 | M | 85.9 | Confident | 88.8 | Confident | 38 Ų | 38 | 62.5 Ų | 62.5 | 19% | 0.187 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 130.4 | 173.6 | 176.5 | -173.4 | 58.7 | 0 | 0 | 111.5 | E563 L564 V628 L631 | E563-M626 HydrophobicContact CB-CE 4.18Å; E563-M626 HydrophobicContact CB-SD 4.39Å; E563-M626 HydrophobicContact CG-CB 4.25Å; E563-M626 HydrophobicContact CG-CE 4.18Å; E563-M626 WeakPolarHBondContact OE1-CB 3.5Å; E563-M626 PolarHBondContact OE1-N 2.91Å; L564-M626 HydrophobicContact CB-CE 3.7Å; L564-M626 HydrophobicContact CB-SD 4.3Å; L564-M626 HydrophobicContact CD1-CE 3.75Å; L564-M626 HydrophobicContact CG-CE 4.24Å; M626-V628 HydrophobicContact CE-CG2 4.14Å; M626-L631 HydrophobicContact SD-CD2 4Å |
| 627 | N | 90.6 | Very high | 88.9 | Confident | 78 Ų | 78 | 59.9 Ų | 59.9 | 42% | 0.417 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -103.8 | 123.3 | 165.2 | 172.6 | -50.8 | 0 | 0 | 0 | 107.6 | P625 E629 Y630 L631 | P625-N627 PolarHBondContact O-N 3.27Å; N627-E629 WeakPolarHBondContact OD1-CA 3.41Å; N627-E629 WeakPolarHBondContact OD1-CB 3.38Å; N627-E629 PolarHBondContact OD1-N 3.25Å; N627-Y630 PolarHBondContact OD1-N 3.13Å; N627-L631 PolarHBondContact O-N 3.49Å; N627-L631 VanDerWaalsContact O-N 3.09Å |
| 628 | V | 92 | Very high | 89 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -76.1 | -31.9 | -174.7 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | Y506 L564 M626 L631 M632 | Y506-V628 HydrophobicContact CD1-CB 3.72Å; Y506-V628 HydrophobicContact CD1-CG1 3.67Å; Y506-V628 HydrophobicContact CD1-CG2 3.79Å; Y506-V628 HydrophobicContact CD2-CG2 4.09Å; Y506-V628 HydrophobicContact CE1-CB 3.59Å; Y506-V628 HydrophobicContact CE1-CG1 4.07Å; Y506-V628 HydrophobicContact CE1-CG2 3.69Å; Y506-V628 HydrophobicContact CE2-CG2 3.97Å; Y506-V628 HydrophobicContact CG-CB 4.39Å; Y506-V628 HydrophobicContact CG-CG1 4.25Å; Y506-V628 HydrophobicContact CG-CG2 4Å; L564-V628 HydrophobicContact CD1-CG2 3.79Å; M626-V628 HydrophobicContact CE-CG2 4.14Å; V628-L631 WeakPolarHBondContact O-CB 3.47Å; V628-L631 PolarHBondContact O-N 2.87Å; V628-M632 HydrophobicContact CG1-CG 4.29Å; V628-M632 WeakPolarHBondContact O-CB 3.45Å; V628-M632 VanDerWaalsContact O-CG 3.26Å; V628-M632 WeakPolarHBondContact O-CG 3.27Å; V628-M632 PolarHBondContact O-N 3.38Å |
| 629 | E | 91.6 | Very high | 88.9 | Confident | 116 Ų | 116 | 57.5 Ų | 57.5 | 54% | 0.542 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.8 | -50.6 | 174 | -54.4 | 162 | 166.6 | 0 | 0 | 110 | L322 N627 L631 M632 M633 | L322-E629 HydrophobicContact CD2-CG 4.45Å; N627-E629 WeakPolarHBondContact OD1-CA 3.41Å; N627-E629 WeakPolarHBondContact OD1-CB 3.38Å; N627-E629 PolarHBondContact OD1-N 3.25Å; E629-L631 VanDerWaalsContact C-N 3.29Å; E629-L631 PolarHBondContact O-N 2.89Å; E629-M632 CarbonylContact O-C 3.53Å; E629-M632 PolarHBondContact O-N 3.29Å; E629-M632 VanDerWaalsContact O-N 3.13Å; E629-M633 WeakPolarHBondContact O-CG 3.23Å; E629-M633 PolarHBondContact O-N 2.99Å |
| 630 | Y | 92.6 | Very high | 88.8 | Confident | 142 Ų | 142 | 56.5 Ų | 56.5 | 56% | 0.557 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -67.5 | -26.6 | 176.9 | -175.2 | -95.2 | 0 | 0 | 0 | 113.4 | N627 | N627-Y630 PolarHBondContact OD1-N 3.13Å |
| 631 | L | 93.9 | Very high | 89 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.8 | -48.1 | 169.4 | 178.2 | 60.4 | 0 | 0 | 0 | 110.2 | L499 A560 M626 N627 V628 E629 M633 D634 I637 K653 | L499-L631 HydrophobicContact CD1-CD2 4.24Å; A560-L631 HydrophobicContact CB-CD1 4.4Å; A560-L631 HydrophobicContact CB-CD2 4.22Å; M626-L631 HydrophobicContact SD-CD2 4Å; N627-L631 PolarHBondContact O-N 3.49Å; N627-L631 VanDerWaalsContact O-N 3.09Å; V628-L631 WeakPolarHBondContact O-CB 3.47Å; V628-L631 PolarHBondContact O-N 2.87Å; E629-L631 VanDerWaalsContact C-N 3.29Å; E629-L631 PolarHBondContact O-N 2.89Å; L631-M633 PolarHBondContact O-N 3.47Å; L631-D634 PolarHBondContact O-N 2.95Å; L631-I637 HydrophobicContact CD1-CD1 4.47Å; L631-I637 HydrophobicContact CD1-CG2 3.88Å; L631-I637 HydrophobicContact CG-CD1 4.28Å; L631-K653 HydrophobicContact CD1-CD 4.16Å; L631-K653 HydrophobicContact CD1-CG 4.11Å |
| 632 | M | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.6 | -27.8 | -179 | -73.5 | -65.1 | -59.9 | 0 | 0 | 113.5 | Y315 S318 Q319 L322 C503 V628 E629 D634 I637 | Y315-M632 HydrophobicContact CD2-CE 3.24Å; Y315-M632 HydrophobicContact CD2-SD 3.97Å; Y315-M632 HydrophobicContact CE2-CE 3.49Å; Y315-M632 VanDerWaalsContact CE2-CE 3.49Å; Y315-M632 VanDerWaalsContact CE2-O 3.23Å; Y315-M632 WeakPolarHBondContact CE2-O 3.42Å; Y315-M632 HydrophobicContact CE2-SD 4.17Å; Y315-M632 HydrophobicContact CG-CE 3.95Å; Y315-M632 WeakPolarHBondContact O-CE 3.33Å; Y315-M632 PolarHBondContact OH-O 3.34Å; S318-M632 VanDerWaalsContact CB-CE 3.49Å; Q319-M632 HydrophobicContact CG-CE 3.87Å; Q319-M632 PolarHBondContact NE2-O 3.46Å; L322-M632 HydrophobicContact CD1-CB 4.03Å; L322-M632 HydrophobicContact CD1-CG 3.77Å; C503-M632 HydrophobicContact CB-CG 4.39Å; C503-M632 HydrophobicContact CB-SD 3.68Å; C503-M632 VanDerWaalsContact SG-SD 3.64Å; V628-M632 HydrophobicContact CG1-CG 4.29Å; V628-M632 WeakPolarHBondContact O-CB 3.45Å; V628-M632 VanDerWaalsContact O-CG 3.26Å; V628-M632 WeakPolarHBondContact O-CG 3.27Å; V628-M632 PolarHBondContact O-N 3.38Å; E629-M632 CarbonylContact O-C 3.53Å; E629-M632 PolarHBondContact O-N 3.29Å; E629-M632 VanDerWaalsContact O-N 3.13Å; M632-D634 PolarHBondContact O-N 3.36Å; M632-I637 HydrophobicContact SD-CD1 4.12Å |
| 633 | M | 93.2 | Very high | 89 | Confident | 108 Ų | 108 | 51.9 Ų | 51.9 | 53% | 0.532 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -16.8 | 171.8 | -70.3 | 179.9 | 80.9 | 0 | 0 | 114 | L258 E629 L631 A635 | L258-M633 HydrophobicContact CD1-CB 4.48Å; L258-M633 HydrophobicContact CD1-CG 4.14Å; E629-M633 WeakPolarHBondContact O-CG 3.23Å; E629-M633 PolarHBondContact O-N 2.99Å; L631-M633 PolarHBondContact O-N 3.47Å; M633-A635 PolarHBondContact O-N 2.73Å |
| 634 | D | 92.9 | Very high | 89.2 | Confident | 42 Ų | 42 | 46.4 Ų | 46.4 | 23% | 0.225 | 25% | 0.247 | C | C | . | . | trans | -90.3 | 102.1 | -177.4 | -174.5 | -15 | 0 | 0 | 0 | 111.9 | L631 M632 S636 I637 K653 | L631-D634 PolarHBondContact O-N 2.95Å; M632-D634 PolarHBondContact O-N 3.36Å; D634-S636 PolarHBondContact O-N 3.48Å; D634-S636 VanDerWaalsContact OD1-CB 3.28Å; D634-S636 WeakPolarHBondContact OD1-CB 3.36Å; D634-S636 PolarHBondContact OD1-N 3.28Å; D634-S636 PolarHBondContact OD1-OG 3.33Å; D634-S636 PolarHBondContact OD2-OG 2.73Å; D634-I637 WeakPolarHBondContact O-CG1 3.48Å; D634-I637 PolarHBondContact O-N 3.14Å; D634-I637 VanDerWaalsContact O-N 3.14Å; D634-K653 VanDerWaalsContact CG-NZ 3.34Å; D634-K653 WeakPolarHBondContact OD2-CD 3.35Å; D634-K653 IonicContact OD2-NZ 2.72Å; D634-K653 PolarHBondContact OD2-NZ 2.97Å | ||
| 635 | A | 92.9 | Very high | 89.5 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.033 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -51.8 | -19.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L250 V254 M633 I637 L638 | L250-A635 HydrophobicContact CG-CB 4.25Å; V254-A635 HydrophobicContact CB-CB 3.91Å; V254-A635 HydrophobicContact CG1-CB 4.21Å; V254-A635 HydrophobicContact CG2-CB 3.73Å; M633-A635 PolarHBondContact O-N 2.73Å; A635-I637 VanDerWaalsContact C-N 3.29Å; A635-I637 PolarHBondContact O-N 3.4Å; A635-L638 WeakPolarHBondContact O-CB 3.07Å; A635-L638 PolarHBondContact O-N 3.26Å |
| 636 | S | 91.2 | Very high | 89.7 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -72.8 | -15.1 | 179.2 | 68.4 | 0 | 0 | 0 | 0 | 115 | D634 L638 L639 | D634-S636 PolarHBondContact O-N 3.48Å; D634-S636 VanDerWaalsContact OD1-CB 3.28Å; D634-S636 WeakPolarHBondContact OD1-CB 3.36Å; D634-S636 PolarHBondContact OD1-N 3.28Å; D634-S636 PolarHBondContact OD1-OG 3.33Å; D634-S636 PolarHBondContact OD2-OG 2.73Å; S636-L638 VanDerWaalsContact C-N 3.26Å; S636-L638 PolarHBondContact O-N 3.03Å; S636-L639 PolarHBondContact O-N 2.86Å |
| 637 | I | 92.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -73.3 | -21.2 | 175.5 | 73.2 | 173.1 | 0 | 0 | 0 | 112.9 | Y315 L499 F500 L631 M632 D634 A635 L639 K653 | Y315-I637 HydrophobicContact CE2-CD1 4.47Å; L499-I637 HydrophobicContact CD2-CB 4.43Å; F500-I637 HydrophobicContact CE1-CD1 3.7Å; F500-I637 HydrophobicContact CE1-CG1 3.77Å; F500-I637 HydrophobicContact CZ-CD1 4.41Å; F500-I637 HydrophobicContact CZ-CG1 4.04Å; F500-I637 VanDerWaalsContact CZ-O 3.27Å; F500-I637 WeakPolarHBondContact CZ-O 3.43Å; L631-I637 HydrophobicContact CD1-CD1 4.47Å; L631-I637 HydrophobicContact CD1-CG2 3.88Å; L631-I637 HydrophobicContact CG-CD1 4.28Å; M632-I637 HydrophobicContact SD-CD1 4.12Å; D634-I637 WeakPolarHBondContact O-CG1 3.48Å; D634-I637 PolarHBondContact O-N 3.14Å; D634-I637 VanDerWaalsContact O-N 3.14Å; A635-I637 VanDerWaalsContact C-N 3.29Å; A635-I637 PolarHBondContact O-N 3.4Å; I637-L639 PolarHBondContact O-N 2.87Å; I637-K653 HydrophobicContact CG2-CD 4.12Å; I637-K653 HydrophobicContact CG2-CG 4.46Å |
| 638 | L | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -74.3 | -3.9 | 174.7 | -79 | 172.6 | 0 | 0 | 0 | 113.7 | L234 V238 L250 V254 V312 Y315 Y496 F500 A635 S636 | L234-L638 HydrophobicContact CD2-CD1 4.13Å; V238-L638 VanDerWaalsContact CG1-O 3.28Å; V238-L638 WeakPolarHBondContact CG1-O 3.22Å; V238-L638 HydrophobicContact CG2-CB 4.05Å; V238-L638 HydrophobicContact CG2-CD1 4.39Å; L250-L638 HydrophobicContact CD2-CB 4.38Å; V254-L638 HydrophobicContact CG2-CD1 3.95Å; V312-L638 HydrophobicContact CG2-CD2 4.01Å; Y315-L638 HydrophobicContact CD1-CD1 3.91Å; Y315-L638 HydrophobicContact CD1-CD2 4.06Å; Y315-L638 HydrophobicContact CD1-CG 4.33Å; Y315-L638 HydrophobicContact CD2-CD1 4.39Å; Y315-L638 HydrophobicContact CD2-CD2 3.98Å; Y315-L638 HydrophobicContact CD2-CG 4.07Å; Y315-L638 HydrophobicContact CE1-CD1 3.82Å; Y315-L638 HydrophobicContact CE2-CD1 4.29Å; Y315-L638 HydrophobicContact CE2-CG 4.25Å; Y315-L638 HydrophobicContact CG-CD1 4.21Å; Y315-L638 HydrophobicContact CG-CD2 3.66Å; Y315-L638 HydrophobicContact CG-CG 4.1Å; Y496-L638 PolarHBondContact OH-O 3.11Å; F500-L638 HydrophobicContact CE1-CD2 4.15Å; F500-L638 HydrophobicContact CZ-CD2 3.84Å; F500-L638 HydrophobicContact CZ-CG 4.35Å; A635-L638 WeakPolarHBondContact O-CB 3.07Å; A635-L638 PolarHBondContact O-N 3.26Å; S636-L638 VanDerWaalsContact C-N 3.26Å; S636-L638 PolarHBondContact O-N 3.03Å |
| 639 | L | 89.4 | Confident | 89.1 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -98.4 | 150.8 | 174 | -62 | 179.1 | 0 | 0 | 0 | 110.4 | D241 H244 R247 L250 S636 I637 | D241-L639 HydrophobicContact CB-CD2 4.19Å; H244-L639 HydrophobicContact CB-CD1 3.93Å; R247-L639 HydrophobicContact CG-CD1 3.64Å; L250-L639 HydrophobicContact CD2-CD1 4.42Å; L250-L639 HydrophobicContact CD2-CD2 3.76Å; L250-L639 HydrophobicContact CD2-CG 3.95Å; S636-L639 PolarHBondContact O-N 2.86Å; I637-L639 PolarHBondContact O-N 2.87Å |
| 640 | P | 87.1 | Confident | 89 | Confident | 52 Ų | 52 | 43.9 Ų | 43.9 | 34% | 0.338 | 26% | 0.258 | S | S | . | . | trans | -53.8 | 137.1 | 179.5 | -28.7 | 36.1 | 0 | 0 | 0 | 112.8 | H244 T642 | H244-P640 PolarHBondContact CE1-O 3.45Å; P640-T642 PolarHBondContact O-N 3.17Å | ||
| 641 | P | 87 | Confident | 88.9 | Confident | 28 Ų | 28 | 37.9 Ų | 37.9 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | trans | -57.1 | 101.4 | -171.3 | -29 | 36.9 | 0 | 0 | 0 | 115 | Y496 L655 | Y496-P641 HydrophobicContact CD2-CG 4.34Å; P641-L655 HydrophobicContact CB-CD1 4.22Å; P641-L655 HydrophobicContact CB-CG 4.07Å; P641-L655 WeakPolarHBondContact O-CD1 3.38Å | ||
| 642 | T | 85.7 | Confident | 88.8 | Confident | 24 Ų | 24 | 39.4 Ų | 39.4 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | trans | -73.8 | 147.5 | -177.6 | -169.3 | 0 | 0 | 0 | 0 | 113.8 | P640 T644 T647 I649 R654 L655 | P640-T642 PolarHBondContact O-N 3.17Å; T642-T644 WeakPolarHBondContact OG1-CG2 3.44Å; T642-T647 HydrophobicContact CG2-CG2 4.02Å; T642-I649 HydrophobicContact CG2-CD1 4.1Å; T642-R654 HydrophobicContact CG2-CB 4.05Å; T642-R654 WeakPolarHBondContact O-CB 3.22Å; T642-L655 WeakPolarHBondContact O-CB 3.42Å; T642-L655 PolarHBondContact O-N 3.33Å | ||
| 643 | G | 85.1 | Confident | 88.7 | Confident | 38 Ų | 38 | 40.7 Ų | 40.7 | 39% | 0.392 | 25% | 0.25 | S | C | . | . | trans | -103.5 | 16.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | C657 | G643-C657 VanDerWaalsContact O-CB 3.32Å; G643-C657 WeakPolarHBondContact O-CB 3.27Å; G643-C657 PolarHBondContact O-SG 3.43Å | ||
| 644 | T | 84.8 | Confident | 88.7 | Confident | 44 Ų | 44 | 36.2 Ų | 36.2 | 27% | 0.27 | 23% | 0.227 | S | C | . | . | trans | -129.5 | 140.1 | -177.1 | 175.7 | 0 | 0 | 0 | 0 | 112.6 | T642 L646 T647 | T642-T644 WeakPolarHBondContact OG1-CG2 3.44Å; T644-L646 PolarHBondContact O-N 2.95Å; T644-L646 WeakPolarHBondContact OG1-CB 3.26Å; T644-L646 WeakPolarHBondContact OG1-CG 3.37Å; T644-L646 PolarHBondContact OG1-N 3.06Å; T644-T647 HydrophobicContact CG2-CG2 4.23Å; T644-T647 PolarHBondContact O-OG1 3.17Å | ||
| 645 | P | 85.3 | Confident | 88.6 | Confident | 62 Ų | 62 | 35.7 Ų | 35.7 | 40% | 0.403 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -71.9 | -13.8 | 173.8 | 31.2 | -37 | 0 | 0 | 0 | 113.1 | T647 G648 | P645-T647 PolarHBondContact O-N 3.41Å; P645-T647 VanDerWaalsContact O-N 3.16Å; P645-G648 PolarHBondContact O-N 3.34Å |
| 646 | L | 84.9 | Confident | 88.6 | Confident | 162 Ų | 162 | 36.9 Ų | 36.9 | 85% | 0.848 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -65.7 | -17.5 | -174.6 | -62.3 | 177.3 | 0 | 0 | 0 | 113.8 | T644 G648 | T644-L646 PolarHBondContact O-N 2.95Å; T644-L646 WeakPolarHBondContact OG1-CB 3.26Å; T644-L646 WeakPolarHBondContact OG1-CG 3.37Å; T644-L646 PolarHBondContact OG1-N 3.06Å; L646-G648 PolarHBondContact O-N 3.13Å |
| 647 | T | 83.1 | Confident | 88.6 | Confident | 31 Ų | 31 | 39.1 Ų | 39.1 | 19% | 0.19 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -73.6 | -11.8 | 174 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | H244 R247 T642 T644 P645 I649 | H244-T647 HydrophobicContact CB-CG2 4.31Å; R247-T647 PolarHBondContact NH1-O 3.48Å; T642-T647 HydrophobicContact CG2-CG2 4.02Å; T644-T647 HydrophobicContact CG2-CG2 4.23Å; T644-T647 PolarHBondContact O-OG1 3.17Å; P645-T647 PolarHBondContact O-N 3.41Å; P645-T647 VanDerWaalsContact O-N 3.16Å; T647-I649 PolarHBondContact O-N 3.45Å |
| 648 | G | 84.8 | Confident | 88.5 | Confident | 62 Ų | 62 | 41.1 Ų | 41.1 | 64% | 0.639 | 27% | 0.268 | S | S | * | . | trans | 69.6 | 15.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P645 L646 | P645-G648 PolarHBondContact O-N 3.34Å; L646-G648 PolarHBondContact O-N 3.13Å | ||
| 649 | I | 87.7 | Confident | 88.4 | Confident | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | trans | -81.9 | 135.1 | 174.9 | -63.4 | 175.3 | 0 | 0 | 0 | 109.5 | T642 T647 K653 R654 | T642-I649 HydrophobicContact CG2-CD1 4.1Å; T647-I649 PolarHBondContact O-N 3.45Å; I649-K653 HydrophobicContact CG2-CB 3.88Å; I649-R654 HydrophobicContact CG2-CB 4.02Å; I649-R654 HydrophobicContact CG2-CG 4.43Å; I649-R654 WeakPolarHBondContact O-CD 3.42Å; I649-R654 PolarHBondContact O-NE 2.78Å | ||
| 650 | D | 89.4 | Confident | 88.5 | Confident | 94 Ų | 94 | 51.3 Ų | 51.3 | 50% | 0.503 | 33% | 0.326 | S | S | . | . | trans | -61 | 144.9 | 179 | 177.8 | 64.7 | 0 | 0 | 0 | 112.3 | V652 K653 | D650-V652 PolarHBondContact O-N 3.11Å; D650-V652 VanDerWaalsContact O-N 3.13Å; D650-V652 WeakPolarHBondContact OD2-CB 3.15Å; D650-V652 WeakPolarHBondContact OD2-CG2 3.21Å; D650-V652 PolarHBondContact OD2-N 3.4Å; D650-K653 PolarHBondContact O-N 3.42Å | ||
| 651 | F | 91 | Very high | 88.7 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -55.4 | -31.9 | -176 | 176.6 | -123.6 | 0 | 0 | 0 | 113.8 | L559 K653 P656 E661 R664 R665 | L559-F651 HydrophobicContact CD1-CD1 4.1Å; L559-F651 HydrophobicContact CD1-CE1 3.66Å; L559-F651 HydrophobicContact CD1-CZ 4.13Å; F651-K653 PolarHBondContact O-N 3.2Å; F651-P656 HydrophobicContact CE2-CB 4.08Å; F651-E661 HydrophobicContact CD2-CB 4.43Å; F651-E661 HydrophobicContact CD2-CG 4.41Å; F651-E661 HydrophobicContact CE2-CB 3.79Å; F651-E661 HydrophobicContact CE2-CG 4.22Å; F651-E661 HydrophobicContact CZ-CB 4.33Å; F651-E661 WeakPolarHBondContact CZ-O 3.21Å; F651-R664 HydrophobicContact CE1-CB 3.95Å; F651-R664 HydrophobicContact CZ-CB 4.04Å; F651-R665 HydrophobicContact CZ-CB 4.11Å |
| 652 | V | 91.3 | Very high | 89 | Confident | 40 Ų | 40 | 52.1 Ų | 52.1 | 24% | 0.242 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -69 | -25.8 | -180 | -178.7 | 0 | 0 | 0 | 0 | 112.2 | L559 A560 D650 | L559-V652 HydrophobicContact CB-CG1 4.02Å; L559-V652 PolarHBondContact N-O 3.39Å; A560-V652 HydrophobicContact CB-CG1 4.16Å; A560-V652 PolarHBondContact N-O 2.94Å; D650-V652 PolarHBondContact O-N 3.11Å; D650-V652 VanDerWaalsContact O-N 3.13Å; D650-V652 WeakPolarHBondContact OD2-CB 3.15Å; D650-V652 WeakPolarHBondContact OD2-CG2 3.21Å; D650-V652 PolarHBondContact OD2-N 3.4Å |
| 653 | K | 91.9 | Very high | 89.4 | Confident | 26 Ų | 26 | 51.6 Ų | 51.6 | 11% | 0.113 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -100 | -0.4 | -172.2 | -63 | -179 | 177.5 | -173.1 | 0 | 114.4 | R558 L631 D634 I637 I649 D650 F651 | R558-K653 WeakPolarHBondContact CD-O 3.49Å; L631-K653 HydrophobicContact CD1-CD 4.16Å; L631-K653 HydrophobicContact CD1-CG 4.11Å; D634-K653 VanDerWaalsContact CG-NZ 3.34Å; D634-K653 WeakPolarHBondContact OD2-CD 3.35Å; D634-K653 IonicContact OD2-NZ 2.72Å; D634-K653 PolarHBondContact OD2-NZ 2.97Å; I637-K653 HydrophobicContact CG2-CD 4.12Å; I637-K653 HydrophobicContact CG2-CG 4.46Å; I649-K653 HydrophobicContact CG2-CB 3.88Å; D650-K653 PolarHBondContact O-N 3.42Å; F651-K653 PolarHBondContact O-N 3.2Å |
| 654 | R | 92.1 | Very high | 89.9 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 5% | 0.053 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -136.9 | 179.9 | -175.5 | 70.9 | 172.2 | 170.4 | 74.3 | 2.2 | 112.6 | T642 I649 E661 | T642-R654 HydrophobicContact CG2-CB 4.05Å; T642-R654 WeakPolarHBondContact O-CB 3.22Å; I649-R654 HydrophobicContact CG2-CB 4.02Å; I649-R654 HydrophobicContact CG2-CG 4.43Å; I649-R654 WeakPolarHBondContact O-CD 3.42Å; I649-R654 PolarHBondContact O-NE 2.78Å; R654-E661 IonicContact CZ-OE1 2.66Å; R654-E661 IonicContact CZ-OE2 2.79Å; R654-E661 IonicContact NH1-OE1 3.96Å; R654-E661 IonicContact NH1-OE2 3.62Å; R654-E661 PolarHBondContact NH1-OE2 2.96Å; R654-E661 IonicContact NH2-OE1 3.96Å; R654-E661 PolarHBondContact NH2-OE1 3.44Å; R654-E661 IonicContact NH2-OE2 3.91Å; R654-E661 PolarHBondContact NH2-OE2 3.41Å |
| 655 | L | 91.8 | Very high | 90.3 | Very high | 31 Ų | 31 | 51.7 Ų | 51.7 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | trans | -85.6 | 152.4 | 176.4 | -59.4 | -178.8 | 0 | 0 | 0 | 111.6 | K556 R558 P641 T642 | K556-L655 HydrophobicContact CB-CD1 4.4Å; K556-L655 HydrophobicContact CB-CD2 4.38Å; K556-L655 WeakPolarHBondContact O-CD2 3.2Å; R558-L655 HydrophobicContact CG-CD2 4.05Å; P641-L655 HydrophobicContact CB-CD1 4.22Å; P641-L655 HydrophobicContact CB-CG 4.07Å; P641-L655 WeakPolarHBondContact O-CD1 3.38Å; T642-L655 WeakPolarHBondContact O-CB 3.42Å; T642-L655 PolarHBondContact O-N 3.33Å | ||
| 656 | P | 92.3 | Very high | 90.8 | Very high | 29 Ų | 29 | 48.8 Ų | 48.8 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | trans | -72.5 | 136.9 | -177.1 | 30.4 | -37.8 | 0 | 0 | 0 | 112.7 | F651 E661 K662 R665 | F651-P656 HydrophobicContact CE2-CB 4.08Å; P656-E661 HydrophobicContact CB-CB 3.84Å; P656-K662 HydrophobicContact CB-CG 4.3Å; P656-K662 HydrophobicContact CG-CG 4.26Å; P656-R665 HydrophobicContact CB-CB 4.46Å | ||
| 657 | C | 90.8 | Very high | 91.3 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 36% | 0.358 | 24% | 0.242 | S | C | . | . | trans | -107.2 | 112 | 177.6 | -158.2 | 0 | 0 | 0 | 0 | 111.5 | G643 E661 | G643-C657 VanDerWaalsContact O-CB 3.32Å; G643-C657 WeakPolarHBondContact O-CB 3.27Å; G643-C657 PolarHBondContact O-SG 3.43Å; C657-E661 WeakPolarHBondContact CB-OE2 3.43Å; C657-E661 PolarHBondContact N-OE2 3.08Å; C657-E661 WeakPolarHBondContact O-CB 3.39Å | ||
| 658 | G | 90.6 | Very high | 91.9 | Very high | 44 Ų | 44 | 40.2 Ų | 40.2 | 45% | 0.454 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | 70.7 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | V660 E661 K662 | G658-V660 VanDerWaalsContact C-N 3.31Å; G658-V660 PolarHBondContact O-N 3.46Å; G658-E661 PolarHBondContact O-N 3.17Å; G658-K662 PolarHBondContact O-N 2.88Å |
| 659 | D | 90.1 | Very high | 92.4 | Very high | 122 Ų | 122 | 37.3 Ų | 37.3 | 65% | 0.652 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -65.9 | -30.3 | -165.7 | -58.6 | -29.4 | 0 | 0 | 0 | 114 | T663 | D659-T663 WeakPolarHBondContact O-CB 3.33Å; D659-T663 PolarHBondContact O-N 3Å; D659-T663 PolarHBondContact O-OG1 2.89Å |
| 660 | V | 91.1 | Very high | 92.9 | Very high | 94 Ų | 94 | 36.9 Ų | 36.9 | 57% | 0.57 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -64.7 | -49.2 | 176.3 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | M613 G658 T663 R664 | M613-V660 HydrophobicContact SD-CG1 4.04Å; G658-V660 VanDerWaalsContact C-N 3.31Å; G658-V660 PolarHBondContact O-N 3.46Å; V660-T663 WeakPolarHBondContact O-CB 3.48Å; V660-T663 PolarHBondContact O-N 2.98Å; V660-R664 VanDerWaalsContact O-CG 3.3Å; V660-R664 WeakPolarHBondContact O-CG 3.09Å; V660-R664 PolarHBondContact O-N 3.47Å |
| 661 | E | 93 | Very high | 93.2 | Very high | 27 Ų | 27 | 32.6 Ų | 32.6 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.1 | -31.9 | 178.3 | -66.8 | -165.1 | 161.8 | 0 | 0 | 112.5 | F651 R654 P656 C657 G658 T663 R664 R665 | F651-E661 HydrophobicContact CD2-CB 4.43Å; F651-E661 HydrophobicContact CD2-CG 4.41Å; F651-E661 HydrophobicContact CE2-CB 3.79Å; F651-E661 HydrophobicContact CE2-CG 4.22Å; F651-E661 HydrophobicContact CZ-CB 4.33Å; F651-E661 WeakPolarHBondContact CZ-O 3.21Å; R654-E661 IonicContact CZ-OE1 2.66Å; R654-E661 IonicContact CZ-OE2 2.79Å; R654-E661 IonicContact NH1-OE1 3.96Å; R654-E661 IonicContact NH1-OE2 3.62Å; R654-E661 PolarHBondContact NH1-OE2 2.96Å; R654-E661 IonicContact NH2-OE1 3.96Å; R654-E661 PolarHBondContact NH2-OE1 3.44Å; R654-E661 IonicContact NH2-OE2 3.91Å; R654-E661 PolarHBondContact NH2-OE2 3.41Å; P656-E661 HydrophobicContact CB-CB 3.84Å; C657-E661 WeakPolarHBondContact CB-OE2 3.43Å; C657-E661 PolarHBondContact N-OE2 3.08Å; C657-E661 WeakPolarHBondContact O-CB 3.39Å; G658-E661 PolarHBondContact O-N 3.17Å; E661-T663 VanDerWaalsContact C-N 3.32Å; E661-T663 PolarHBondContact O-N 3.2Å; E661-R664 PolarHBondContact O-N 3.09Å; E661-R665 WeakPolarHBondContact O-CB 3.28Å; E661-R665 PolarHBondContact O-N 3.46Å |
| 662 | K | 93 | Very high | 93.4 | Very high | 70 Ų | 70 | 32.2 Ų | 32.2 | 30% | 0.304 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.5 | -43.1 | 168.6 | -74.3 | -168.8 | 171.5 | -155.9 | 0 | 111.3 | D554 F603 P656 G658 R665 A666 | D554-K662 IonicContact OD1-NZ 2.92Å; D554-K662 PolarHBondContact OD1-NZ 2.89Å; F603-K662 HydrophobicContact CE1-CB 4.19Å; F603-K662 HydrophobicContact CZ-CB 3.9Å; P656-K662 HydrophobicContact CB-CG 4.3Å; P656-K662 HydrophobicContact CG-CG 4.26Å; G658-K662 PolarHBondContact O-N 2.88Å; K662-R665 PolarHBondContact O-N 3.02Å; K662-A666 WeakPolarHBondContact O-CB 3.21Å; K662-A666 PolarHBondContact O-N 3.2Å |
| 663 | T | 94.1 | Very high | 93.7 | Very high | 13 Ų | 13 | 30.3 Ų | 30.3 | 8% | 0.08 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | 175.6 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | F603 F610 M613 D659 V660 E661 R665 A666 I667 | F603-T663 HydrophobicContact CB-CG2 3.76Å; F603-T663 WeakPolarHBondContact CD1-OG1 3.35Å; F603-T663 HydrophobicContact CG-CG2 4.14Å; F610-T663 HydrophobicContact CD2-CG2 3.95Å; F610-T663 HydrophobicContact CE2-CG2 3.93Å; M613-T663 HydrophobicContact CE-CG2 3.58Å; D659-T663 WeakPolarHBondContact O-CB 3.33Å; D659-T663 PolarHBondContact O-N 3Å; D659-T663 PolarHBondContact O-OG1 2.89Å; V660-T663 WeakPolarHBondContact O-CB 3.48Å; V660-T663 PolarHBondContact O-N 2.98Å; E661-T663 VanDerWaalsContact C-N 3.32Å; E661-T663 PolarHBondContact O-N 3.2Å; T663-R665 VanDerWaalsContact C-N 3.34Å; T663-R665 PolarHBondContact O-N 3.26Å; T663-A666 WeakPolarHBondContact O-CB 3.42Å; T663-A666 PolarHBondContact O-N 3.28Å; T663-I667 HydrophobicContact CG2-CD1 3.92Å; T663-I667 WeakPolarHBondContact O-CG1 3.46Å; T663-I667 PolarHBondContact O-N 2.89Å |
| 664 | R | 94.1 | Very high | 93.8 | Very high | 71 Ų | 71 | 30.6 Ų | 30.6 | 27% | 0.268 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.8 | -40 | 177.5 | -67 | 172.2 | 71.4 | -157.1 | -3.2 | 112 | M613 E617 F651 V660 E661 R668 | M613-R664 HydrophobicContact SD-CG 4.05Å; E617-R664 HydrophobicContact CG-CB 4.32Å; E617-R664 HydrophobicContact CG-CG 4.38Å; E617-R664 IonicContact OE1-CZ 2.69Å; E617-R664 IonicContact OE1-NE 2.82Å; E617-R664 PolarHBondContact OE1-NE 3.33Å; E617-R664 IonicContact OE1-NH2 3.43Å; E617-R664 PolarHBondContact OE1-NH2 3.14Å; F651-R664 HydrophobicContact CE1-CB 3.95Å; F651-R664 HydrophobicContact CZ-CB 4.04Å; V660-R664 VanDerWaalsContact O-CG 3.3Å; V660-R664 WeakPolarHBondContact O-CG 3.09Å; V660-R664 PolarHBondContact O-N 3.47Å; E661-R664 PolarHBondContact O-N 3.09Å; R664-R668 WeakPolarHBondContact O-CG 3.41Å; R664-R668 PolarHBondContact O-N 3.02Å; R664-R668 VanDerWaalsContact O-N 3.12Å |
| 665 | R | 94.7 | Very high | 94 | Very high | 13 Ų | 13 | 31.8 Ų | 31.8 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.6 | -51.7 | 172.4 | 180 | -178.2 | 177.6 | -78.8 | -11.5 | 110.8 | A550 Q552 G555 I557 L559 F651 P656 E661 K662 T663 I667 R668 V669 | A550-R665 PolarHBondContact O-NH1 2.78Å; A550-R665 PolarHBondContact O-NH2 3.08Å; Q552-R665 PolarHBondContact O-NH1 3.49Å; G555-R665 PolarHBondContact O-NH2 2.7Å; I557-R665 PolarHBondContact O-NE 3.2Å; I557-R665 VanDerWaalsContact O-NE 3.15Å; I557-R665 PolarHBondContact O-NH2 2.8Å; I557-R665 VanDerWaalsContact O-NH2 3.13Å; L559-R665 HydrophobicContact CD2-CG 4.17Å; F651-R665 HydrophobicContact CZ-CB 4.11Å; P656-R665 HydrophobicContact CB-CB 4.46Å; E661-R665 WeakPolarHBondContact O-CB 3.28Å; E661-R665 PolarHBondContact O-N 3.46Å; K662-R665 PolarHBondContact O-N 3.02Å; T663-R665 VanDerWaalsContact C-N 3.34Å; T663-R665 PolarHBondContact O-N 3.26Å; R665-I667 VanDerWaalsContact C-N 3.33Å; R665-I667 PolarHBondContact O-N 3.48Å; R665-R668 WeakPolarHBondContact O-CB 3.27Å; R665-R668 PolarHBondContact O-N 3.33Å; R665-R668 VanDerWaalsContact O-N 3.07Å; R665-V669 HydrophobicContact CG-CG2 4.23Å; R665-V669 WeakPolarHBondContact O-CG2 3.47Å; R665-V669 PolarHBondContact O-N 3.05Å |
| 666 | A | 95.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.2 | -48.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L599 V600 F603 K662 T663 R668 V669 F670 | L599-A666 HydrophobicContact CD2-CB 3.78Å; L599-A666 HydrophobicContact CG-CB 3.69Å; V600-A666 VanDerWaalsContact CG2-C 3.46Å; V600-A666 HydrophobicContact CG2-CB 3.99Å; V600-A666 VanDerWaalsContact CG2-O 3.27Å; V600-A666 WeakPolarHBondContact CG2-O 3.23Å; F603-A666 HydrophobicContact CD2-CB 3.92Å; F603-A666 HydrophobicContact CE2-CB 3.99Å; K662-A666 WeakPolarHBondContact O-CB 3.21Å; K662-A666 PolarHBondContact O-N 3.2Å; T663-A666 WeakPolarHBondContact O-CB 3.42Å; T663-A666 PolarHBondContact O-N 3.28Å; A666-R668 VanDerWaalsContact C-N 3.3Å; A666-R668 PolarHBondContact O-N 2.9Å; A666-V669 PolarHBondContact O-N 3.17Å; A666-F670 PolarHBondContact O-N 2.87Å |
| 667 | I | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58 | -41.2 | 177.1 | -69.9 | 169.1 | 0 | 0 | 0 | 111.4 | V600 F610 M613 F614 E617 T663 R665 F671 | V600-I667 HydrophobicContact CG1-CG1 4.45Å; F610-I667 HydrophobicContact CE2-CD1 4.05Å; F610-I667 HydrophobicContact CE2-CG1 4.43Å; F610-I667 HydrophobicContact CZ-CD1 4.24Å; F610-I667 HydrophobicContact CZ-CG1 4.4Å; M613-I667 HydrophobicContact CB-CD1 4.45Å; F614-I667 HydrophobicContact CB-CD1 4.34Å; F614-I667 HydrophobicContact CD2-CD1 4.3Å; F614-I667 HydrophobicContact CD2-CG1 4.18Å; F614-I667 HydrophobicContact CD2-CG2 4.02Å; E617-I667 HydrophobicContact CB-CG2 3.82Å; E617-I667 HydrophobicContact CG-CG2 4.3Å; T663-I667 HydrophobicContact CG2-CD1 3.92Å; T663-I667 WeakPolarHBondContact O-CG1 3.46Å; T663-I667 PolarHBondContact O-N 2.89Å; R665-I667 VanDerWaalsContact C-N 3.33Å; R665-I667 PolarHBondContact O-N 3.48Å; I667-F671 HydrophobicContact CG2-CD2 3.82Å; I667-F671 HydrophobicContact CG2-CE2 3.26Å; I667-F671 HydrophobicContact CG2-CZ 3.81Å; I667-F671 VanDerWaalsContact O-CD2 3.3Å; I667-F671 WeakPolarHBondContact O-CD2 3.39Å; I667-F671 WeakPolarHBondContact O-CG 3.34Å; I667-F671 PolarHBondContact O-N 3.37Å |
| 668 | R | 94.5 | Very high | 94.4 | Very high | 13 Ų | 13 | 27.9 Ų | 27.9 | 5% | 0.049 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.3 | -42.9 | 176.7 | -76.3 | -68.2 | -170.2 | 118.4 | 15.9 | 114 | L559 E617 S620 M621 R664 R665 A666 F670 F671 M672 | L559-R668 HydrophobicContact CD1-CB 4.12Å; L559-R668 HydrophobicContact CD1-CG 4.11Å; L559-R668 HydrophobicContact CD2-CB 3.71Å; E617-R668 HydrophobicContact CB-CG 4.46Å; E617-R668 PolarHBondContact O-NE 2.99Å; E617-R668 IonicContact OE2-CZ 3.58Å; E617-R668 IonicContact OE2-NE 2.9Å; E617-R668 PolarHBondContact OE2-NE 2.55Å; E617-R668 IonicContact OE2-NH2 2.78Å; E617-R668 PolarHBondContact OE2-NH2 3.17Å; S620-R668 PolarHBondContact OG-NH2 3.16Å; M621-R668 VanDerWaalsContact CA-NH1 3.31Å; R664-R668 WeakPolarHBondContact O-CG 3.41Å; R664-R668 PolarHBondContact O-N 3.02Å; R664-R668 VanDerWaalsContact O-N 3.12Å; R665-R668 WeakPolarHBondContact O-CB 3.27Å; R665-R668 PolarHBondContact O-N 3.33Å; R665-R668 VanDerWaalsContact O-N 3.07Å; A666-R668 VanDerWaalsContact C-N 3.3Å; A666-R668 PolarHBondContact O-N 2.9Å; R668-F670 VanDerWaalsContact C-N 3.28Å; R668-F670 PolarHBondContact O-N 3.34Å; R668-F671 PolarHBondContact O-N 2.92Å; R668-M672 WeakPolarHBondContact O-CB 3.46Å; R668-M672 WeakPolarHBondContact O-CG 3.49Å; R668-M672 PolarHBondContact O-N 3.36Å |
| 669 | V | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.7 | -45.2 | 176 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | A550 A551 L559 L562 R665 A666 M672 L673 | A550-V669 HydrophobicContact CB-CG1 4.4Å; A551-V669 HydrophobicContact CB-CG1 4.41Å; L559-V669 HydrophobicContact CD2-CG2 4.4Å; L562-V669 HydrophobicContact CD2-CB 4.04Å; L562-V669 HydrophobicContact CD2-CG1 3.9Å; L562-V669 HydrophobicContact CD2-CG2 3.78Å; R665-V669 HydrophobicContact CG-CG2 4.23Å; R665-V669 WeakPolarHBondContact O-CG2 3.47Å; R665-V669 PolarHBondContact O-N 3.05Å; A666-V669 PolarHBondContact O-N 3.17Å; V669-M672 PolarHBondContact O-N 2.94Å; V669-L673 HydrophobicContact CG1-CD1 3.93Å; V669-L673 HydrophobicContact CG1-CG 4.41Å; V669-L673 WeakPolarHBondContact O-CG 3.44Å; V669-L673 PolarHBondContact O-N 3.48Å |
| 670 | F | 96.7 | Very high | 94.6 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 1% | 0.013 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.2 | -51 | 173.2 | 164.5 | -104.6 | 0 | 0 | 0 | 112.9 | S596 V597 V600 F614 A666 R668 M672 R674 L826 L827 | S596-F670 WeakPolarHBondContact OG-CA 3.32Å; V597-F670 HydrophobicContact CG2-CD2 3.79Å; V597-F670 HydrophobicContact CG2-CE2 3.74Å; V600-F670 HydrophobicContact CG2-CB 3.66Å; V600-F670 HydrophobicContact CG2-CG 4.27Å; F614-F670 HydrophobicContact CE2-CD1 4.36Å; F614-F670 HydrophobicContact CE2-CE1 4.11Å; F614-F670 HydrophobicContact CZ-CE1 4.04Å; A666-F670 PolarHBondContact O-N 2.87Å; R668-F670 VanDerWaalsContact C-N 3.28Å; R668-F670 PolarHBondContact O-N 3.34Å; F670-M672 PolarHBondContact O-N 3.28Å; F670-R674 WeakPolarHBondContact O-CB 3.48Å; F670-R674 PolarHBondContact O-N 3.22Å; F670-L826 HydrophobicContact CZ-CB 4.39Å; F670-L826 HydrophobicContact CZ-CD2 4.4Å; F670-L827 HydrophobicContact CE2-CD2 4.31Å; F670-L827 HydrophobicContact CZ-CD2 4.42Å |
| 671 | F | 96.2 | Very high | 94.5 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 2% | 0.022 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63 | -39.4 | 179.1 | -67.5 | -38.2 | 0 | 0 | 0 | 112.9 | F614 E617 Y618 M621 I667 R668 S675 L688 | F614-F671 AromaticContact CD1-CZ 3.87Å; F614-F671 HydrophobicContact CD1-CZ 3.87Å; F614-F671 HydrophobicContact CD2-CZ 4.02Å; F614-F671 AromaticContact CE1-CE1 3.81Å; F614-F671 HydrophobicContact CE1-CE1 3.81Å; F614-F671 AromaticContact CE1-CZ 3.62Å; F614-F671 HydrophobicContact CE1-CZ 3.62Å; F614-F671 AromaticContact CE2-CE1 3.9Å; F614-F671 HydrophobicContact CE2-CE1 3.9Å; F614-F671 AromaticContact CE2-CZ 3.78Å; F614-F671 HydrophobicContact CE2-CZ 3.78Å; F614-F671 HydrophobicContact CG-CZ 4.08Å; F614-F671 AromaticContact CZ-CE1 3.47Å; F614-F671 HydrophobicContact CZ-CE1 3.47Å; F614-F671 VanDerWaalsContact CZ-CE1 3.47Å; F614-F671 AromaticContact CZ-CZ 3.59Å; F614-F671 HydrophobicContact CZ-CZ 3.59Å; E617-F671 HydrophobicContact CB-CE2 4.22Å; Y618-F671 HydrophobicContact CD2-CD1 4.03Å; Y618-F671 HydrophobicContact CD2-CD2 4.26Å; Y618-F671 AromaticContact CD2-CE1 3.93Å; Y618-F671 HydrophobicContact CD2-CE1 3.93Å; Y618-F671 HydrophobicContact CD2-CE2 4.16Å; Y618-F671 HydrophobicContact CD2-CG 4.22Å; Y618-F671 HydrophobicContact CD2-CZ 4Å; Y618-F671 HydrophobicContact CG-CE2 4.43Å; Y618-F671 HydrophobicContact CG-CZ 4.33Å; M621-F671 HydrophobicContact CE-CB 4.35Å; M621-F671 HydrophobicContact SD-CB 3.52Å; M621-F671 VanDerWaalsContact SD-CB 3.52Å; M621-F671 HydrophobicContact SD-CG 4.47Å; I667-F671 HydrophobicContact CG2-CD2 3.82Å; I667-F671 HydrophobicContact CG2-CE2 3.26Å; I667-F671 HydrophobicContact CG2-CZ 3.81Å; I667-F671 VanDerWaalsContact O-CD2 3.3Å; I667-F671 WeakPolarHBondContact O-CD2 3.39Å; I667-F671 WeakPolarHBondContact O-CG 3.34Å; I667-F671 PolarHBondContact O-N 3.37Å; R668-F671 PolarHBondContact O-N 2.92Å; F671-S675 WeakPolarHBondContact O-CB 3.18Å; F671-S675 PolarHBondContact O-N 3.37Å; F671-L688 HydrophobicContact CD1-CD1 3.74Å; F671-L688 HydrophobicContact CE1-CD1 3.58Å; F671-L688 HydrophobicContact CE1-CD2 4.26Å |
| 672 | M | 95.6 | Very high | 94.3 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 3% | 0.034 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.1 | -51.1 | 177.8 | -73.4 | 174.7 | 173.8 | 0 | 0 | 111.7 | L562 E563 M621 R668 V669 F670 S675 L676 | L562-M672 HydrophobicContact CB-SD 4.27Å; L562-M672 HydrophobicContact CD2-CB 4.2Å; L562-M672 HydrophobicContact CD2-SD 3.75Å; L562-M672 HydrophobicContact CG-CB 4.48Å; L562-M672 HydrophobicContact CG-SD 3.88Å; E563-M672 HydrophobicContact CB-CE 3.71Å; E563-M672 HydrophobicContact CB-SD 4.23Å; E563-M672 HydrophobicContact CG-CE 3.92Å; E563-M672 VanDerWaalsContact OE2-CE 3.32Å; E563-M672 WeakPolarHBondContact OE2-CE 3.47Å; M621-M672 HydrophobicContact CE-CB 4.43Å; M621-M672 HydrophobicContact CE-CG 3.71Å; M621-M672 HydrophobicContact SD-CG 4.19Å; R668-M672 WeakPolarHBondContact O-CB 3.46Å; R668-M672 WeakPolarHBondContact O-CG 3.49Å; R668-M672 PolarHBondContact O-N 3.36Å; V669-M672 PolarHBondContact O-N 2.94Å; F670-M672 PolarHBondContact O-N 3.28Å; M672-S675 PolarHBondContact O-N 3.07Å; M672-L676 WeakPolarHBondContact O-CB 3.44Å; M672-L676 PolarHBondContact O-N 3.39Å |
| 673 | L | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.3 | -35.9 | -178.5 | -62.2 | -177.7 | 0 | 0 | 0 | 112.6 | M547 A551 L562 L589 A592 R593 V669 L676 S677 | M547-L673 HydrophobicContact CB-CD2 3.79Å; M547-L673 HydrophobicContact CG-CD2 3.7Å; M547-L673 HydrophobicContact SD-CD2 3.92Å; A551-L673 HydrophobicContact CB-CD1 4.49Å; L562-L673 HydrophobicContact CD1-CD2 4.21Å; L589-L673 HydrophobicContact CD1-CD2 4.44Å; A592-L673 HydrophobicContact CB-CD1 4.11Å; A592-L673 WeakPolarHBondContact O-CD1 3.43Å; R593-L673 HydrophobicContact CB-CB 4.24Å; R593-L673 HydrophobicContact CG-CB 4.48Å; V669-L673 HydrophobicContact CG1-CD1 3.93Å; V669-L673 HydrophobicContact CG1-CG 4.41Å; V669-L673 WeakPolarHBondContact O-CG 3.44Å; V669-L673 PolarHBondContact O-N 3.48Å; L673-L676 PolarHBondContact O-N 2.85Å; L673-S677 VanDerWaalsContact O-CB 3.28Å; L673-S677 WeakPolarHBondContact O-CB 3.33Å; L673-S677 PolarHBondContact O-N 3.29Å |
| 674 | R | 95.6 | Very high | 93.9 | Very high | 32 Ų | 32 | 32.3 Ų | 32.3 | 12% | 0.121 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.2 | -48.3 | 170.6 | 179.4 | 178.8 | 169.5 | 88.4 | 7.4 | 111.5 | F670 L676 S677 L678 E685 | F670-R674 WeakPolarHBondContact O-CB 3.48Å; F670-R674 PolarHBondContact O-N 3.22Å; R674-L676 VanDerWaalsContact C-N 3.28Å; R674-L676 PolarHBondContact O-N 3.39Å; R674-S677 PolarHBondContact O-N 2.64Å; R674-L678 HydrophobicContact CG-CD1 4.03Å; R674-L678 HydrophobicContact CG-CG 4.5Å; R674-L678 WeakPolarHBondContact O-CG 3.5Å; R674-L678 PolarHBondContact O-N 2.87Å; R674-E685 IonicContact CZ-OE1 3.51Å; R674-E685 IonicContact CZ-OE2 3.66Å; R674-E685 IonicContact NE-OE1 3.91Å; R674-E685 IonicContact NE-OE2 2.67Å; R674-E685 PolarHBondContact NE-OE2 3.34Å; R674-E685 IonicContact NH2-OE1 2.67Å; R674-E685 PolarHBondContact NH2-OE1 3.26Å; R674-E685 IonicContact NH2-OE2 2.66Å; R674-E685 PolarHBondContact NH2-OE2 2.79Å; R674-E685 VanDerWaalsContact NH2-OE2 3.14Å |
| 675 | S | 94.8 | Very high | 93.7 | Very high | 40 Ų | 40 | 31.8 Ų | 31.8 | 28% | 0.28 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63 | -35.6 | 179.4 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | F671 M672 Q679 | F671-S675 WeakPolarHBondContact O-CB 3.18Å; F671-S675 PolarHBondContact O-N 3.37Å; M672-S675 PolarHBondContact O-N 3.07Å; S675-Q679 WeakPolarHBondContact O-CB 3.25Å; S675-Q679 VanDerWaalsContact O-CD 3.29Å; S675-Q679 WeakPolarHBondContact O-CG 3.25Å; S675-Q679 PolarHBondContact O-N 3.13Å; S675-Q679 PolarHBondContact O-NE2 2.97Å; S675-Q679 PolarHBondContact OG-NE2 3.2Å |
| 676 | L | 95.1 | Very high | 93.4 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.8 | -50.5 | 175.5 | -177.9 | 59 | 0 | 0 | 0 | 111.4 | M547 C566 L569 K570 L589 M672 L673 R674 L678 Q679 L680 | M547-L676 HydrophobicContact CE-CD2 3.87Å; M547-L676 HydrophobicContact SD-CD2 3.89Å; C566-L676 HydrophobicContact CB-CD2 3.95Å; L569-L676 HydrophobicContact CD2-CD2 4.28Å; K570-L676 HydrophobicContact CB-CD1 3.88Å; L589-L676 HydrophobicContact CD1-CD2 4.02Å; L589-L676 HydrophobicContact CD2-CD2 4.34Å; L589-L676 HydrophobicContact CD2-CG 4.31Å; M672-L676 WeakPolarHBondContact O-CB 3.44Å; M672-L676 PolarHBondContact O-N 3.39Å; L673-L676 PolarHBondContact O-N 2.85Å; R674-L676 VanDerWaalsContact C-N 3.28Å; R674-L676 PolarHBondContact O-N 3.39Å; L676-L678 PolarHBondContact O-N 2.85Å; L676-Q679 PolarHBondContact O-N 3.15Å; L676-Q679 VanDerWaalsContact O-N 3.17Å; L676-L680 HydrophobicContact CD1-CD1 4.1Å; L676-L680 HydrophobicContact CD1-CD2 4.38Å; L676-L680 HydrophobicContact CD1-CG 4.02Å; L676-L680 HydrophobicContact CG-CD1 4.24Å; L676-L680 HydrophobicContact CG-CG 4.44Å; L676-L680 WeakPolarHBondContact O-CG 3.49Å; L676-L680 PolarHBondContact O-N 3.19Å |
| 677 | S | 95.4 | Very high | 93 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -51.8 | -53 | 176.8 | 168.1 | 0 | 0 | 0 | 0 | 111.7 | E590 R593 L673 R674 Q679 L680 R681 | E590-S677 PolarHBondContact OE1-OG 3.04Å; R593-S677 PolarHBondContact NH1-OG 3.32Å; L673-S677 VanDerWaalsContact O-CB 3.28Å; L673-S677 WeakPolarHBondContact O-CB 3.33Å; L673-S677 PolarHBondContact O-N 3.29Å; R674-S677 PolarHBondContact O-N 2.64Å; S677-Q679 PolarHBondContact O-N 3.25Å; S677-L680 PolarHBondContact O-N 2.89Å; S677-R681 VanDerWaalsContact O-CD 3.27Å; S677-R681 WeakPolarHBondContact O-CD 3.3Å; S677-R681 VanDerWaalsContact O-CG 3.3Å; S677-R681 WeakPolarHBondContact O-CG 3.48Å; S677-R681 PolarHBondContact O-N 2.94Å |
| 678 | L | 93.9 | Very high | 92.7 | Very high | 22 Ų | 22 | 39.2 Ų | 39.2 | 12% | 0.115 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58 | -45.5 | 177.2 | -71 | 172.8 | 0 | 0 | 0 | 112.5 | R674 L676 L680 R681 G682 E683 E685 | R674-L678 HydrophobicContact CG-CD1 4.03Å; R674-L678 HydrophobicContact CG-CG 4.5Å; R674-L678 WeakPolarHBondContact O-CG 3.5Å; R674-L678 PolarHBondContact O-N 2.87Å; L676-L678 PolarHBondContact O-N 2.85Å; L678-L680 VanDerWaalsContact C-N 3.35Å; L678-L680 PolarHBondContact O-N 3.17Å; L678-R681 PolarHBondContact O-N 2.97Å; L678-G682 PolarHBondContact O-N 3.22Å; L678-E683 HydrophobicContact CD2-CB 3.79Å; L678-E683 PolarHBondContact O-N 2.66Å; L678-E685 HydrophobicContact CD1-CB 4.08Å; L678-E685 HydrophobicContact CD1-CG 4.48Å; L678-E685 WeakPolarHBondContact CD1-OE2 3.19Å |
| 679 | Q | 92.7 | Very high | 92.5 | Very high | 76 Ų | 76 | 41.4 Ų | 41.4 | 36% | 0.355 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.8 | -32.6 | -179.6 | -73.5 | 171.4 | 29.3 | 0 | 0 | 113.3 | K570 S675 L676 S677 | K570-Q679 VanDerWaalsContact CE-OE1 3.31Å; S675-Q679 WeakPolarHBondContact O-CB 3.25Å; S675-Q679 VanDerWaalsContact O-CD 3.29Å; S675-Q679 WeakPolarHBondContact O-CG 3.25Å; S675-Q679 PolarHBondContact O-N 3.13Å; S675-Q679 PolarHBondContact O-NE2 2.97Å; S675-Q679 PolarHBondContact OG-NE2 3.2Å; L676-Q679 PolarHBondContact O-N 3.15Å; L676-Q679 VanDerWaalsContact O-N 3.17Å; S677-Q679 PolarHBondContact O-N 3.25Å |
| 680 | L | 91.5 | Very high | 92.2 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -77.6 | -25.2 | 175.1 | -64 | -170.9 | 0 | 0 | 0 | 112.9 | V573 L574 C579 M581 L589 L676 S677 L678 | V573-L680 HydrophobicContact CG2-CD1 3.9Å; V573-L680 HydrophobicContact CG2-CD2 3.63Å; V573-L680 HydrophobicContact CG2-CG 4.42Å; L574-L680 HydrophobicContact CB-CD2 4.21Å; L574-L680 HydrophobicContact CD1-CD2 4.36Å; C579-L680 WeakPolarHBondContact CB-O 3.11Å; M581-L680 HydrophobicContact CE-CD1 3.65Å; L589-L680 HydrophobicContact CD2-CD1 3.67Å; L676-L680 HydrophobicContact CD1-CD1 4.1Å; L676-L680 HydrophobicContact CD1-CD2 4.38Å; L676-L680 HydrophobicContact CD1-CG 4.02Å; L676-L680 HydrophobicContact CG-CD1 4.24Å; L676-L680 HydrophobicContact CG-CG 4.44Å; L676-L680 WeakPolarHBondContact O-CG 3.49Å; L676-L680 PolarHBondContact O-N 3.19Å; S677-L680 PolarHBondContact O-N 2.89Å; L678-L680 VanDerWaalsContact C-N 3.35Å; L678-L680 PolarHBondContact O-N 3.17Å |
| 681 | R | 89.9 | Confident | 91.7 | Very high | 121 Ų | 121 | 42.4 Ų | 42.4 | 46% | 0.457 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -81.5 | -14.1 | 172.2 | -68.7 | 156.4 | 156.6 | -110.7 | -2.9 | 113.4 | E590 S677 L678 E683 | E590-R681 IonicContact OE1-CZ 3.81Å; E590-R681 IonicContact OE1-NE 3.14Å; E590-R681 PolarHBondContact OE1-NE 3.46Å; E590-R681 VanDerWaalsContact OE1-NE 3.07Å; E590-R681 IonicContact OE1-NH2 3.92Å; E590-R681 IonicContact OE2-CZ 2.67Å; E590-R681 IonicContact OE2-NE 3.36Å; E590-R681 IonicContact OE2-NH2 2.84Å; E590-R681 PolarHBondContact OE2-NH2 3.45Å; S677-R681 VanDerWaalsContact O-CD 3.27Å; S677-R681 WeakPolarHBondContact O-CD 3.3Å; S677-R681 VanDerWaalsContact O-CG 3.3Å; S677-R681 WeakPolarHBondContact O-CG 3.48Å; S677-R681 PolarHBondContact O-N 2.94Å; L678-R681 PolarHBondContact O-N 2.97Å; R681-E683 HydrophobicContact CB-CB 4.4Å; R681-E683 HydrophobicContact CB-CG 3.92Å; R681-E683 WeakPolarHBondContact CD-OE2 3.48Å; R681-E683 IonicContact NH1-OE2 3.24Å; R681-E683 PolarHBondContact NH1-OE2 3.46Å; R681-E683 VanDerWaalsContact NH1-OE2 3.1Å |
| 682 | G | 88.3 | Confident | 91.1 | Very high | 66 Ų | 66 | 45.7 Ų | 45.7 | 68% | 0.68 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 13.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L678 | L678-G682 PolarHBondContact O-N 3.22Š|
| 683 | E | 90.2 | Very high | 90.3 | Very high | 91 Ų | 91 | 53 Ų | 53 | 43% | 0.425 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -85 | 130 | -178.4 | -68.2 | -178.5 | 136.1 | 0 | 0 | 110.4 | L678 R681 | L678-E683 HydrophobicContact CD2-CB 3.79Å; L678-E683 PolarHBondContact O-N 2.66Å; R681-E683 HydrophobicContact CB-CB 4.4Å; R681-E683 HydrophobicContact CB-CG 3.92Å; R681-E683 WeakPolarHBondContact CD-OE2 3.48Å; R681-E683 IonicContact NH1-OE2 3.24Å; R681-E683 PolarHBondContact NH1-OE2 3.46Å; R681-E683 VanDerWaalsContact NH1-OE2 3.1Å |
| 684 | P | 88.1 | Confident | 89.5 | Confident | 98 Ų | 98 | 59.8 Ų | 59.8 | 64% | 0.636 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -72 | 140.1 | 173.5 | 29.6 | -33.4 | 0 | 0 | 0 | 110.6 | T686 | P684-T686 HydrophobicContact CG-CG2 4.33Å; P684-T686 PolarHBondContact O-N 2.82Å |
| 685 | E | 89.2 | Confident | 88.8 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 28% | 0.28 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 129.2 | 167.2 | 179.7 | 58.7 | -85.8 | 0 | 0 | 109.3 | R674 L678 Q687 L688 | R674-E685 IonicContact CZ-OE1 3.51Å; R674-E685 IonicContact CZ-OE2 3.66Å; R674-E685 IonicContact NE-OE1 3.91Å; R674-E685 IonicContact NE-OE2 2.67Å; R674-E685 PolarHBondContact NE-OE2 3.34Å; R674-E685 IonicContact NH2-OE1 2.67Å; R674-E685 PolarHBondContact NH2-OE1 3.26Å; R674-E685 IonicContact NH2-OE2 2.66Å; R674-E685 PolarHBondContact NH2-OE2 2.79Å; R674-E685 VanDerWaalsContact NH2-OE2 3.14Å; L678-E685 HydrophobicContact CD1-CB 4.08Å; L678-E685 HydrophobicContact CD1-CG 4.48Å; L678-E685 WeakPolarHBondContact CD1-OE2 3.19Å; E685-Q687 PolarHBondContact OE1-N 3.27Å; E685-L688 HydrophobicContact CG-CB 3.88Å; E685-L688 PolarHBondContact OE1-N 2.91Å |
| 686 | T | 88.4 | Confident | 88.3 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 45% | 0.454 | 32% | 0.32 | S | S | . | . | trans | -131.4 | -15.5 | -171.7 | 44.7 | 0 | 0 | 0 | 0 | 112.9 | P684 R692 | P684-T686 HydrophobicContact CG-CG2 4.33Å; P684-T686 PolarHBondContact O-N 2.82Å; T686-R692 PolarHBondContact O-NH1 3.11Å | ||
| 687 | Q | 88 | Confident | 87.9 | Confident | 88 Ų | 88 | 62.1 Ų | 62.1 | 41% | 0.411 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -104 | -17.7 | -175 | -56.6 | -179.7 | 36.3 | 0 | 0 | 112.4 | E685 L826 | E685-Q687 PolarHBondContact OE1-N 3.27Å; Q687-L826 HydrophobicContact CB-CD2 3.86Å; Q687-L826 HydrophobicContact CB-CG 4.32Å; Q687-L826 VanDerWaalsContact OE1-CD2 3.23Å |
| 688 | L | 90.6 | Very high | 87.6 | Confident | 9 Ų | 9 | 67.4 Ų | 67.4 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | trans | -120.4 | 145.4 | 175.1 | -63 | 170.9 | 0 | 0 | 0 | 110.1 | F614 Y618 F671 E685 L690 L826 | F614-L688 HydrophobicContact CE1-CD2 3.84Å; F614-L688 HydrophobicContact CZ-CD2 4.3Å; Y618-L688 HydrophobicContact CD2-CB 4.29Å; Y618-L688 HydrophobicContact CD2-CD1 4.04Å; Y618-L688 HydrophobicContact CE1-CB 4.3Å; Y618-L688 HydrophobicContact CE2-CB 3.61Å; Y618-L688 HydrophobicContact CE2-CD1 3.78Å; Y618-L688 HydrophobicContact CE2-CG 4.23Å; F671-L688 HydrophobicContact CD1-CD1 3.74Å; F671-L688 HydrophobicContact CE1-CD1 3.58Å; F671-L688 HydrophobicContact CE1-CD2 4.26Å; E685-L688 HydrophobicContact CG-CB 3.88Å; E685-L688 PolarHBondContact OE1-N 2.91Å; L688-L690 HydrophobicContact CD2-CD2 3.94Å; L688-L690 HydrophobicContact CD2-CG 4.2Å; L688-L826 HydrophobicContact CD2-CD1 3.64Å; L688-L826 HydrophobicContact CG-CD1 4.11Å; L688-L826 HydrophobicContact CG-CD2 4.47Å | ||
| 689 | P | 89.8 | Confident | 87.3 | Confident | 59 Ų | 59 | 70.3 Ų | 70.3 | 38% | 0.383 | 37% | 0.367 | S | S | . | . | S | Bend | cis | -63 | 155.3 | -7.5 | 27.9 | -35.6 | 0 | 0 | 0 | 112.5 | Y618 T691 | Y618-P689 HydrophobicContact CD1-CB 4.1Å; Y618-P689 HydrophobicContact CE1-CB 3.79Å; Y618-P689 HydrophobicContact CE1-CG 4.41Å; P689-T691 WeakPolarHBondContact CG-O 3.48Å; P689-T691 PolarHBondContact O-N 3.47Å |
| 690 | L | 88.6 | Confident | 87.2 | Confident | 4 Ų | 4 | 71 Ų | 71 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -58.4 | -14 | -178.4 | -63.2 | 176.9 | 0 | 0 | 0 | 114.1 | L611 F614 E615 L688 K819 R822 I823 L826 | L611-L690 HydrophobicContact CD1-CD1 3.85Å; F614-L690 HydrophobicContact CD1-CD1 3.78Å; F614-L690 HydrophobicContact CD1-CG 4.41Å; F614-L690 HydrophobicContact CE1-CD1 3.94Å; F614-L690 HydrophobicContact CE1-CD2 4.18Å; F614-L690 HydrophobicContact CE1-CG 4.15Å; E615-L690 HydrophobicContact CG-CD1 4.18Å; L688-L690 HydrophobicContact CD2-CD2 3.94Å; L688-L690 HydrophobicContact CD2-CG 4.2Å; L690-K819 HydrophobicContact CB-CG 4.45Å; L690-K819 HydrophobicContact CD1-CB 4.41Å; L690-R822 HydrophobicContact CD2-CB 3.96Å; L690-R822 PolarHBondContact O-NH1 2.98Å; L690-I823 HydrophobicContact CD1-CD1 3.72Å; L690-I823 HydrophobicContact CD1-CG1 3.6Å; L690-I823 HydrophobicContact CD2-CG1 3.94Å; L690-I823 HydrophobicContact CG-CG1 4.43Å; L690-L826 HydrophobicContact CD2-CD1 3.84Å |
| 691 | T | 86.8 | Confident | 87 | Confident | 20 Ų | 20 | 73.5 Ų | 73.5 | 12% | 0.123 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -133.8 | 110.4 | 168.4 | -58.9 | 0 | 0 | 0 | 0 | 108.3 | P689 L696 L754 K819 | P689-T691 WeakPolarHBondContact CG-O 3.48Å; P689-T691 PolarHBondContact O-N 3.47Å; T691-L696 HydrophobicContact CG2-CD1 3.88Å; T691-L696 HydrophobicContact CG2-CD2 3.54Å; T691-L696 HydrophobicContact CG2-CG 3.83Å; T691-L754 HydrophobicContact CG2-CD2 4.31Å; T691-K819 WeakPolarHBondContact OG1-CE 3.37Å; T691-K819 PolarHBondContact OG1-NZ 3.48Å |
| 692 | R | 83.3 | Confident | 86.9 | Confident | 74 Ų | 74 | 70.6 Ų | 70.6 | 28% | 0.279 | 38% | 0.381 | S | S | . | . | trans | -82 | 144.1 | 176.1 | -62.1 | 166.9 | 68.4 | 140.5 | -3.8 | 109.3 | T686 E694 D695 | T686-R692 PolarHBondContact O-NH1 3.11Å; R692-E694 HydrophobicContact CB-CB 4.47Å; R692-E694 IonicContact CZ-OE2 3.66Å; R692-E694 VanDerWaalsContact CZ-OE2 3.24Å; R692-E694 IonicContact NE-OE2 3.7Å; R692-E694 PolarHBondContact NE-OE2 3.01Å; R692-E694 IonicContact NH2-OE2 3.6Å; R692-E694 PolarHBondContact NH2-OE2 2.9Å; R692-E694 PolarHBondContact O-N 2.88Å; R692-E694 VanDerWaalsContact O-N 3.09Å; R692-D695 HydrophobicContact CB-CB 4.37Å; R692-D695 WeakPolarHBondContact O-CB 3.26Å; R692-D695 PolarHBondContact O-N 2.98Å | ||
| 693 | E | 79.7 | Confident | 86.8 | Confident | 161 Ų | 161 | 69.4 Ų | 69.4 | 75% | 0.752 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -8.1 | 174.1 | -59.1 | -168.6 | 163.2 | 0 | 0 | 113.7 | K698 | E693-K698 WeakPolarHBondContact O-CE 3.44Å; E693-K698 PolarHBondContact O-NZ 3.48Å |
| 694 | E | 79.6 | Confident | 86.6 | Confident | 141 Ų | 141 | 66.7 Ų | 66.7 | 66% | 0.659 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -27.6 | 172.5 | -58.4 | 165.7 | 142.1 | 0 | 0 | 112.3 | R692 L696 | R692-E694 HydrophobicContact CB-CB 4.47Å; R692-E694 IonicContact CZ-OE2 3.66Å; R692-E694 VanDerWaalsContact CZ-OE2 3.24Å; R692-E694 IonicContact NE-OE2 3.7Å; R692-E694 PolarHBondContact NE-OE2 3.01Å; R692-E694 IonicContact NH2-OE2 3.6Å; R692-E694 PolarHBondContact NH2-OE2 2.9Å; R692-E694 PolarHBondContact O-N 2.88Å; R692-E694 VanDerWaalsContact O-N 3.09Å; E694-L696 PolarHBondContact O-N 3.08Å |
| 695 | D | 80.4 | Confident | 86.3 | Confident | 64 Ų | 64 | 62.9 Ų | 62.9 | 34% | 0.342 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -75.8 | -7.6 | 174 | -73.1 | 7.2 | 0 | 0 | 0 | 111.4 | R692 R822 | R692-D695 HydrophobicContact CB-CB 4.37Å; R692-D695 WeakPolarHBondContact O-CB 3.26Å; R692-D695 PolarHBondContact O-N 2.98Å; D695-R822 IonicContact OD2-CZ 3.1Å; D695-R822 IonicContact OD2-NH1 2.71Å; D695-R822 PolarHBondContact OD2-NH1 3.28Å; D695-R822 IonicContact OD2-NH2 3.48Å; D695-R822 PolarHBondContact OD2-NH2 3.45Å |
| 696 | L | 85.6 | Confident | 85.8 | Confident | 36 Ų | 36 | 64.9 Ų | 64.9 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -106.1 | 138.6 | -168.5 | -65.9 | -172.8 | 0 | 0 | 0 | 113.7 | T691 E694 Q733 L754 | T691-L696 HydrophobicContact CG2-CD1 3.88Å; T691-L696 HydrophobicContact CG2-CD2 3.54Å; T691-L696 HydrophobicContact CG2-CG 3.83Å; E694-L696 PolarHBondContact O-N 3.08Å; L696-Q733 HydrophobicContact CD2-CG 3.96Å; L696-L754 HydrophobicContact CD1-CD2 4.19Å; L696-L754 HydrophobicContact CD2-CD2 4.02Å |
| 697 | I | 86.8 | Confident | 85.2 | Confident | 28 Ų | 28 | 68.2 Ų | 68.2 | 14% | 0.144 | 35% | 0.349 | C | S | . | . | trans | -69.8 | 132.4 | 170.7 | -55.7 | 172.1 | 0 | 0 | 0 | 108.8 | D701 L703 D730 Q733 V749 A752 | I697-D701 HydrophobicContact CG2-CB 4.41Å; I697-L703 HydrophobicContact CD1-CD1 4.15Å; I697-L703 HydrophobicContact CG2-CD1 4.22Å; I697-L703 HydrophobicContact CG2-CD2 4.38Å; I697-D730 HydrophobicContact CD1-CB 4.44Å; I697-Q733 PolarHBondContact O-NE2 2.95Å; I697-Q733 VanDerWaalsContact O-NE2 3.11Å; I697-Q733 PolarHBondContact O-OE1 3.5Å; I697-V749 HydrophobicContact CG2-CB 4.41Å; I697-V749 HydrophobicContact CG2-CG1 4.21Å; I697-V749 HydrophobicContact CG2-CG2 3.7Å; I697-A752 WeakPolarHBondContact O-CB 3.42Å | ||
| 698 | K | 87.9 | Confident | 84.7 | Confident | 112 Ų | 112 | 66.5 Ų | 66.5 | 49% | 0.487 | 35% | 0.348 | S | S | . | . | trans | -105.2 | 163.5 | -177.5 | -60.7 | 175 | -175.3 | 176.8 | 0 | 110.7 | E693 D701 V749 | E693-K698 WeakPolarHBondContact O-CE 3.44Å; E693-K698 PolarHBondContact O-NZ 3.48Å; K698-D701 WeakPolarHBondContact CA-OD2 3.48Å; K698-D701 WeakPolarHBondContact CB-OD2 3.35Å; K698-D701 PolarHBondContact N-OD2 3.23Å; K698-D701 WeakPolarHBondContact O-CB 3.35Å; K698-D701 PolarHBondContact O-N 3.13Å; K698-V749 WeakPolarHBondContact O-CG1 3.1Å | ||
| 699 | T | 87.6 | Confident | 84.2 | Confident | 84 Ų | 84 | 72.2 Ų | 72.2 | 52% | 0.515 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 140.2 | 174.4 | -50 | 0 | 0 | 0 | 0 | 109.8 | D701 | T699-D701 PolarHBondContact O-N 3.15Š|
| 700 | D | 90.3 | Very high | 84.1 | Confident | 91 Ų | 91 | 72.3 Ų | 72.3 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 7.3 | -173.4 | -65.4 | -62.6 | 0 | 0 | 0 | 116.5 | V748 V749 K750 | D700-V748 HydrophobicContact CB-CG1 4.35Å; D700-V749 VanDerWaalsContact CA-O 3.31Å; D700-V749 WeakPolarHBondContact CA-O 3.35Å; D700-V749 PolarHBondContact N-O 2.87Å; D700-K750 IonicContact OD1-NZ 2.7Å; D700-K750 PolarHBondContact OD1-NZ 3.41Å |
| 701 | D | 88.4 | Confident | 84.2 | Confident | 63 Ų | 63 | 72.7 Ų | 72.7 | 34% | 0.337 | 38% | 0.377 | S | S | . | . | trans | -59.6 | 148.2 | 162.1 | -77.4 | -15.7 | 0 | 0 | 0 | 110.9 | I697 K698 T699 V748 V749 | I697-D701 HydrophobicContact CG2-CB 4.41Å; K698-D701 WeakPolarHBondContact CA-OD2 3.48Å; K698-D701 WeakPolarHBondContact CB-OD2 3.35Å; K698-D701 PolarHBondContact N-OD2 3.23Å; K698-D701 WeakPolarHBondContact O-CB 3.35Å; K698-D701 PolarHBondContact O-N 3.13Å; T699-D701 PolarHBondContact O-N 3.15Å; D701-V748 WeakPolarHBondContact O-CA 3.21Å; D701-V749 HydrophobicContact CB-CG2 4.47Å; D701-V749 WeakPolarHBondContact O-CG2 3.44Å; D701-V749 PolarHBondContact O-N 2.85Å | ||
| 702 | V | 87.5 | Confident | 84.4 | Confident | 59 Ų | 59 | 72.9 Ų | 72.9 | 36% | 0.358 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 109.7 | -178.2 | -151.9 | 0 | 0 | 0 | 0 | 111.5 | D740 W746 G747 V748 | V702-D740 HydrophobicContact CG1-CB 4.29Å; V702-W746 WeakPolarHBondContact O-CZ3 3.29Å; V702-G747 CarbonylContact C-O 3.56Å; V702-G747 WeakPolarHBondContact CA-O 3.4Å; V702-G747 WeakPolarHBondContact CG1-O 3.45Å; V702-V748 HydrophobicContact CG1-CG2 3.85Å; V702-V748 HydrophobicContact CG2-CG2 4.16Å |
| 703 | L | 85.9 | Confident | 84.9 | Confident | 42 Ų | 42 | 69.6 Ų | 69.6 | 22% | 0.22 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 146.4 | -172.2 | -57.3 | 175.3 | 0 | 0 | 0 | 111.6 | I697 L705 W746 G747 V749 | I697-L703 HydrophobicContact CD1-CD1 4.15Å; I697-L703 HydrophobicContact CG2-CD1 4.22Å; I697-L703 HydrophobicContact CG2-CD2 4.38Å; L703-L705 HydrophobicContact CB-CD2 3.76Å; L703-L705 HydrophobicContact CD1-CD2 4.48Å; L703-W746 CarbonylContact O-C 3.58Å; L703-W746 WeakPolarHBondContact O-CA 3.45Å; L703-W746 WeakPolarHBondContact O-CB 3.37Å; L703-G747 PolarHBondContact N-O 2.91Å; L703-G747 PolarHBondContact O-N 3.18Å; L703-V749 HydrophobicContact CD1-CG2 3.55Å; L703-V749 HydrophobicContact CG-CG2 3.87Å |
| 704 | D | 85.3 | Confident | 85.5 | Confident | 33 Ų | 33 | 64.4 Ų | 64.4 | 18% | 0.176 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 118.1 | 165.2 | 175.6 | -2.2 | 0 | 0 | 0 | 108.5 | N706 W746 F853 | D704-N706 WeakPolarHBondContact OD1-CB 3.49Å; D704-N706 PolarHBondContact OD1-N 3.37Å; D704-N706 PolarHBondContact OD1-ND2 3.34Å; D704-W746 HydrophobicContact CB-CD2 3.89Å; D704-W746 HydrophobicContact CB-CE3 3.93Å; D704-W746 HydrophobicContact CB-CH2 3.87Å; D704-W746 HydrophobicContact CB-CZ2 3.81Å; D704-W746 HydrophobicContact CB-CZ3 3.92Å; D704-W746 VanDerWaalsContact N-CE3 3.35Å; D704-F853 HydrophobicContact CB-CD1 4.03Å; D704-F853 HydrophobicContact CB-CE1 3.5Å; D704-F853 HydrophobicContact CB-CZ 4.03Å |
| 705 | L | 82.4 | Confident | 86.2 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | trans | -106.1 | 4.3 | -172.3 | -50.7 | 177.8 | 0 | 0 | 0 | 112.5 | L703 N707 S708 L710 V737 G745 | L703-L705 HydrophobicContact CB-CD2 3.76Å; L703-L705 HydrophobicContact CD1-CD2 4.48Å; L705-N707 PolarHBondContact O-N 3.36Å; L705-N707 VanDerWaalsContact O-N 3.09Å; L705-S708 WeakPolarHBondContact O-CB 3.42Å; L705-S708 PolarHBondContact O-N 2.96Å; L705-L710 HydrophobicContact CB-CD1 4.16Å; L705-L710 HydrophobicContact CD1-CD1 3.84Å; L705-L710 HydrophobicContact CD1-CD2 4.28Å; L705-L710 HydrophobicContact CD2-CD2 4.38Å; L705-V737 HydrophobicContact CD1-CG1 3.91Å; L705-G745 WeakPolarHBondContact CA-O 3.42Å; L705-G745 WeakPolarHBondContact CB-O 3.19Å; L705-G745 PolarHBondContact N-O 2.89Å | ||
| 706 | N | 79.7 | Confident | 86.7 | Confident | 102 Ų | 102 | 56.5 Ų | 56.5 | 55% | 0.545 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26.7 | -172.9 | -73.9 | -69.8 | 0 | 0 | 0 | 113.7 | D704 G745 | D704-N706 WeakPolarHBondContact OD1-CB 3.49Å; D704-N706 PolarHBondContact OD1-N 3.37Å; D704-N706 PolarHBondContact OD1-ND2 3.34Å; N706-G745 WeakPolarHBondContact OD1-CA 3.26Å |
| 707 | N | 74.6 | Confident | 86.8 | Confident | 143 Ų | 143 | 57 Ų | 57 | 77% | 0.765 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 16.9 | 174.9 | -63.5 | -40.1 | 0 | 0 | 0 | 113 | L705 | L705-N707 PolarHBondContact O-N 3.36Å; L705-N707 VanDerWaalsContact O-N 3.09Å |
| 708 | S | 78.9 | Confident | 86.3 | Confident | 53 Ų | 53 | 62.5 Ų | 62.5 | 37% | 0.371 | 34% | 0.338 | S | S | . | . | trans | -99.1 | 120.5 | 178.5 | -68.2 | 0 | 0 | 0 | 0 | 111.1 | L705 L710 | L705-S708 WeakPolarHBondContact O-CB 3.42Å; L705-S708 PolarHBondContact O-N 2.96Å; S708-L710 PolarHBondContact O-N 3.06Å | ||
| 709 | D | 78.3 | Confident | 85.9 | Confident | 129 Ų | 129 | 64.1 Ų | 64.1 | 69% | 0.69 | 35% | 0.351 | S | S | * | . | trans | -62.5 | 106.9 | 164.2 | -76.1 | -37.4 | 0 | 0 | 0 | 108.9 | R807 | D709-R807 PolarHBondContact O-NH1 3.43Å; D709-R807 PolarHBondContact O-NH2 2.91Å | ||
| 710 | L | 88.1 | Confident | 85.5 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 31% | 0.314 | 35% | 0.351 | S | S | . | . | trans | -99.7 | 140.3 | 178.7 | -62.7 | 178.6 | 0 | 0 | 0 | 111.6 | L705 S708 F726 A728 | L705-L710 HydrophobicContact CB-CD1 4.16Å; L705-L710 HydrophobicContact CD1-CD1 3.84Å; L705-L710 HydrophobicContact CD1-CD2 4.28Å; L705-L710 HydrophobicContact CD2-CD2 4.38Å; S708-L710 PolarHBondContact O-N 3.06Å; L710-F726 HydrophobicContact CB-CB 4.32Å; L710-F726 HydrophobicContact CB-CD1 4Å; L710-F726 HydrophobicContact CD1-CB 4.27Å; L710-F726 HydrophobicContact CD1-CD1 4.15Å; L710-F726 HydrophobicContact CD1-CG 4.25Å; L710-F726 HydrophobicContact CD2-CB 4.38Å; L710-A728 HydrophobicContact CD2-CB 3.99Å | ||
| 711 | I | 91 | Very high | 85.2 | Confident | 13 Ų | 13 | 59.7 Ų | 59.7 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 109 | 172.6 | -48.2 | 177.4 | 0 | 0 | 0 | 109.4 | C713 L727 F795 R800 I803 A804 | I711-C713 PolarHBondContact O-N 3.38Å; I711-L727 HydrophobicContact CB-CB 4.38Å; I711-L727 PolarHBondContact N-O 3.26Å; I711-L727 WeakPolarHBondContact O-CB 3.32Å; I711-L727 PolarHBondContact O-N 3.1Å; I711-F795 HydrophobicContact CG2-CD1 3.7Å; I711-F795 HydrophobicContact CG2-CE1 3.65Å; I711-R800 HydrophobicContact CG2-CB 4.39Å; I711-I803 HydrophobicContact CD1-CG2 4.01Å; I711-A804 HydrophobicContact CD1-CB 3.93Å; I711-A804 HydrophobicContact CG2-CB 4.45Å |
| 712 | A | 90.9 | Very high | 85.2 | Confident | 24 Ų | 24 | 63.1 Ų | 63.1 | 20% | 0.198 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 131.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F726 | A712-F726 HydrophobicContact CB-CD1 3.94Å; A712-F726 HydrophobicContact CB-CE1 3.78Å |
| 713 | C | 93.3 | Very high | 85.4 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.034 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 161.6 | 177.8 | 61.3 | 0 | 0 | 0 | 0 | 112 | I711 R725 F793 I794 F795 | I711-C713 PolarHBondContact O-N 3.38Å; C713-R725 PolarHBondContact N-O 3.14Å; C713-R725 PolarHBondContact O-N 2.89Å; C713-F793 HydrophobicContact CB-CD2 4.48Å; C713-I794 CarbonylContact C-O 3.59Å; C713-I794 WeakPolarHBondContact CA-O 3.33Å; C713-F795 HydrophobicContact CB-CD1 3.88Å; C713-F795 HydrophobicContact CB-CE1 3.63Å; C713-F795 HydrophobicContact CB-CZ 4.18Å |
| 714 | T | 93.7 | Very high | 85.7 | Confident | 51 Ų | 51 | 67.8 Ų | 67.8 | 31% | 0.313 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123.6 | 163.4 | -52.6 | 0 | 0 | 0 | 0 | 107.8 | M722 F793 I794 | T714-M722 HydrophobicContact CG2-CB 4.47Å; T714-F793 WeakPolarHBondContact O-CA 3.18Å; T714-I794 PolarHBondContact N-O 3.05Å; T714-I794 PolarHBondContact O-N 3.13Å |
| 715 | V | 92.8 | Very high | 86 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.018 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 125.9 | -180 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | M722 V723 R725 L736 A791 F793 | V715-M722 WeakPolarHBondContact O-CA 3.36Å; V715-V723 HydrophobicContact CB-CG2 4.19Å; V715-V723 PolarHBondContact N-O 3.28Å; V715-V723 PolarHBondContact O-N 3.29Å; V715-R725 HydrophobicContact CG2-CB 4.37Å; V715-R725 HydrophobicContact CG2-CG 4.5Å; V715-L736 HydrophobicContact CG1-CD1 4.29Å; V715-L736 HydrophobicContact CG2-CD1 3.95Å; V715-L736 HydrophobicContact CG2-CD2 3.87Å; V715-A791 HydrophobicContact CG1-CB 3.73Å; V715-F793 HydrophobicContact CG1-CD1 4.28Å; V715-F793 HydrophobicContact CG1-CE1 3.97Å; V715-F793 HydrophobicContact CG1-CZ 4.37Å; V715-F793 HydrophobicContact CG2-CD1 4.42Å; V715-F793 HydrophobicContact CG2-CD2 4.11Å; V715-F793 HydrophobicContact CG2-CE1 4.32Å; V715-F793 HydrophobicContact CG2-CE2 4.04Å; V715-F793 HydrophobicContact CG2-CG 4.3Å; V715-F793 HydrophobicContact CG2-CZ 4.13Å |
| 716 | I | 92 | Very high | 86.5 | Confident | 37 Ų | 37 | 70.2 Ų | 70.2 | 19% | 0.19 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 112.4 | 177.4 | -51.6 | -179.2 | 0 | 0 | 0 | 107.9 | G721 M722 A791 T792 I794 | I716-G721 WeakPolarHBondContact CA-O 3.42Å; I716-M722 HydrophobicContact CD1-CE 4.1Å; I716-M722 HydrophobicContact CD1-CG 4.44Å; I716-M722 HydrophobicContact CD1-SD 4.3Å; I716-M722 HydrophobicContact CG1-CG 4.06Å; I716-M722 HydrophobicContact CG1-SD 4.5Å; I716-M722 HydrophobicContact CG2-CG 4.34Å; I716-A791 CarbonylContact O-C 3.57Å; I716-A791 VanDerWaalsContact O-CA 3.23Å; I716-A791 WeakPolarHBondContact O-CA 3.34Å; I716-A791 VanDerWaalsContact O-CB 3.24Å; I716-A791 WeakPolarHBondContact O-CB 3.3Å; I716-T792 PolarHBondContact N-O 3.19Å; I716-T792 PolarHBondContact O-N 3.08Å; I716-I794 HydrophobicContact CD1-CD1 3.61Å; I716-I794 HydrophobicContact CD1-CG1 4.29Å |
| 717 | T | 86.6 | Confident | 87 | Confident | 46 Ų | 46 | 65.3 Ų | 65.3 | 28% | 0.282 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 165.6 | 175 | 73 | 0 | 0 | 0 | 0 | 111.3 | D719 G720 G721 | T717-D719 PolarHBondContact O-N 2.92Å; T717-D719 VanDerWaalsContact O-N 3.12Å; T717-D719 PolarHBondContact OG1-N 3.33Å; T717-D719 PolarHBondContact OG1-OD2 3.44Å; T717-G720 PolarHBondContact O-N 2.86Å; T717-G720 VanDerWaalsContact O-N 3.08Å; T717-G721 PolarHBondContact N-O 2.83Å |
| 718 | K | 78.1 | Confident | 87.8 | Confident | 144 Ų | 144 | 59 Ų | 59 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -30.6 | 174.2 | -79.4 | -176.6 | 174.6 | 170 | 0 | 113.7 | G720 Q790 | K718-G720 PolarHBondContact O-N 3.46Å; K718-Q790 VanDerWaalsContact CE-CD 3.44Å |
| 719 | D | 78.7 | Confident | 88.3 | Confident | 145 Ų | 145 | 57.5 Ų | 57.5 | 78% | 0.775 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 7.4 | -176.2 | -31.1 | -80 | 0 | 0 | 0 | 112.6 | T717 G721 | T717-D719 PolarHBondContact O-N 2.92Å; T717-D719 VanDerWaalsContact O-N 3.12Å; T717-D719 PolarHBondContact OG1-N 3.33Å; T717-D719 PolarHBondContact OG1-OD2 3.44Å; D719-G721 PolarHBondContact O-N 2.71Å |
| 720 | G | 78.5 | Confident | 88.7 | Confident | 49 Ų | 49 | 55 Ų | 55 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 77.8 | 1.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T717 K718 M722 | T717-G720 PolarHBondContact O-N 2.86Å; T717-G720 VanDerWaalsContact O-N 3.08Å; K718-G720 PolarHBondContact O-N 3.46Å; G720-M722 PolarHBondContact O-N 3.4Å |
| 721 | G | 84.6 | Confident | 88.5 | Confident | 33 Ų | 33 | 55.6 Ų | 55.6 | 34% | 0.34 | 31% | 0.307 | S | S | . | . | trans | -67.7 | 112.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I716 T717 D719 | I716-G721 WeakPolarHBondContact CA-O 3.42Å; T717-G721 PolarHBondContact N-O 2.83Å; D719-G721 PolarHBondContact O-N 2.71Å | ||
| 722 | M | 88.4 | Confident | 88.2 | Confident | 136 Ų | 136 | 56 Ų | 56 | 67% | 0.67 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 118.8 | 174.4 | -55.4 | -164.8 | -177.3 | 0 | 0 | 110.4 | T714 V715 I716 G720 | T714-M722 HydrophobicContact CG2-CB 4.47Å; V715-M722 WeakPolarHBondContact O-CA 3.36Å; I716-M722 HydrophobicContact CD1-CE 4.1Å; I716-M722 HydrophobicContact CD1-CG 4.44Å; I716-M722 HydrophobicContact CD1-SD 4.3Å; I716-M722 HydrophobicContact CG1-CG 4.06Å; I716-M722 HydrophobicContact CG1-SD 4.5Å; I716-M722 HydrophobicContact CG2-CG 4.34Å; G720-M722 PolarHBondContact O-N 3.4Å |
| 723 | V | 92.2 | Very high | 88.2 | Confident | 61 Ų | 61 | 55.4 Ų | 55.4 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135.4 | 177.8 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | V715 R725 | V715-V723 HydrophobicContact CB-CG2 4.19Å; V715-V723 PolarHBondContact N-O 3.28Å; V715-V723 PolarHBondContact O-N 3.29Å; V723-R725 HydrophobicContact CG2-CG 4.06Å |
| 724 | Q | 90.8 | Very high | 88.2 | Confident | 137 Ų | 137 | 55.2 Ų | 55.2 | 64% | 0.64 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.9 | 173.5 | -170.5 | 176.2 | -0.3 | 0 | 0 | 110 | ||
| 725 | R | 93.3 | Very high | 88.1 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 163.5 | -175.4 | -64 | -65.9 | 172.6 | -123.7 | 27.1 | 110.8 | C713 V715 V723 L736 E738 | C713-R725 PolarHBondContact N-O 3.14Å; C713-R725 PolarHBondContact O-N 2.89Å; V715-R725 HydrophobicContact CG2-CB 4.37Å; V715-R725 HydrophobicContact CG2-CG 4.5Å; V723-R725 HydrophobicContact CG2-CG 4.06Å; R725-L736 HydrophobicContact CB-CB 4.34Å; R725-L736 HydrophobicContact CB-CD2 4.01Å; R725-L736 HydrophobicContact CG-CB 4.44Å; R725-E738 VanDerWaalsContact CZ-CD 3.43Å; R725-E738 IonicContact CZ-OE1 3.33Å; R725-E738 VanDerWaalsContact CZ-OE1 3.3Å; R725-E738 IonicContact CZ-OE2 3.68Å; R725-E738 IonicContact NH1-OE1 3.41Å; R725-E738 PolarHBondContact NH1-OE1 3.38Å; R725-E738 IonicContact NH1-OE2 3.3Å; R725-E738 IonicContact NH2-OE1 2.8Å; R725-E738 PolarHBondContact NH2-OE1 2.85Å; R725-E738 VanDerWaalsContact NH2-OE1 3.08Å; R725-E738 IonicContact NH2-OE2 2.8Å; R725-E738 PolarHBondContact NH2-OE2 3.38Å |
| 726 | F | 91.7 | Very high | 88 | Confident | 67 Ų | 67 | 53.3 Ų | 53.3 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124 | 167.8 | -66.3 | -89.4 | 0 | 0 | 0 | 109.2 | L710 A712 V737 P739 | L710-F726 HydrophobicContact CB-CB 4.32Å; L710-F726 HydrophobicContact CB-CD1 4Å; L710-F726 HydrophobicContact CD1-CB 4.27Å; L710-F726 HydrophobicContact CD1-CD1 4.15Å; L710-F726 HydrophobicContact CD1-CG 4.25Å; L710-F726 HydrophobicContact CD2-CB 4.38Å; A712-F726 HydrophobicContact CB-CD1 3.94Å; A712-F726 HydrophobicContact CB-CE1 3.78Å; F726-V737 PolarHBondContact N-O 3.06Å; F726-V737 PolarHBondContact O-N 3.02Å; F726-P739 HydrophobicContact CE2-CG 4.37Å |
| 727 | L | 91.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 117.6 | 170.5 | 175.4 | 63.5 | 0 | 0 | 0 | 109.1 | I711 V729 M734 F793 A804 L808 | I711-L727 HydrophobicContact CB-CB 4.38Å; I711-L727 PolarHBondContact N-O 3.26Å; I711-L727 WeakPolarHBondContact O-CB 3.32Å; I711-L727 PolarHBondContact O-N 3.1Å; L727-V729 HydrophobicContact CD1-CG2 4.41Å; L727-V729 HydrophobicContact CG-CG2 4.3Å; L727-M734 HydrophobicContact CD1-CB 4.05Å; L727-M734 HydrophobicContact CD1-CG 4.29Å; L727-M734 HydrophobicContact CD1-SD 3.57Å; L727-M734 VanDerWaalsContact CD1-SD 3.57Å; L727-F793 HydrophobicContact CD1-CE2 4.44Å; L727-A804 HydrophobicContact CD2-CB 4.29Å; L727-L808 HydrophobicContact CD1-CD2 4.41Å; L727-L808 HydrophobicContact CD2-CD1 4.12Å; L727-L808 HydrophobicContact CD2-CD2 4.28Å; L727-L808 HydrophobicContact CD2-CG 4.33Å |
| 728 | A | 90.5 | Very high | 88.3 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 8% | 0.083 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 150.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L710 M734 S735 V737 | L710-A728 HydrophobicContact CD2-CB 3.99Å; A728-M734 WeakPolarHBondContact O-CA 3.39Å; A728-S735 PolarHBondContact N-O 3.16Å; A728-S735 PolarHBondContact O-N 2.82Å; A728-V737 HydrophobicContact CB-CG2 4.25Å |
| 729 | V | 89.1 | Confident | 88.7 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 120.4 | 178.2 | -178.9 | 0 | 0 | 0 | 0 | 107.9 | L727 M734 L755 R807 L808 | L727-V729 HydrophobicContact CD1-CG2 4.41Å; L727-V729 HydrophobicContact CG-CG2 4.3Å; V729-M734 HydrophobicContact CG2-CB 4.41Å; V729-L755 HydrophobicContact CG1-CD1 4.05Å; V729-L755 HydrophobicContact CG1-CD2 4.16Å; V729-R807 HydrophobicContact CB-CG 4.23Å; V729-R807 HydrophobicContact CG1-CG 4.39Å; V729-R807 HydrophobicContact CG2-CG 4.26Å; V729-R807 PolarHBondContact O-NH2 3.21Å; V729-L808 HydrophobicContact CG2-CD2 3.7Å; V729-L808 HydrophobicContact CG2-CG 4.49Å |
| 730 | D | 86.6 | Confident | 89 | Confident | 76 Ų | 76 | 43.9 Ų | 43.9 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | trans | -112 | -171.7 | -178 | -176.3 | 32.4 | 0 | 0 | 0 | 110.5 | I697 Y732 Q733 L755 | I697-D730 HydrophobicContact CD1-CB 4.44Å; D730-Y732 PolarHBondContact O-N 2.66Å; D730-Q733 PolarHBondContact N-O 3.45Å; D730-L755 VanDerWaalsContact O-CD1 3.3Å; D730-L755 WeakPolarHBondContact O-CD1 3.36Å | ||
| 731 | I | 83.3 | Confident | 89.1 | Confident | 72 Ų | 72 | 49.1 Ų | 49.1 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -61.8 | -42 | -174.3 | -58.3 | 173.5 | 0 | 0 | 0 | 112.7 | A815 M818 | I731-A815 WeakPolarHBondContact O-CA 3.17Å; I731-A815 VanDerWaalsContact O-CB 3.3Å; I731-A815 WeakPolarHBondContact O-CB 3.37Å; I731-M818 HydrophobicContact CG2-CG 4.18Å |
| 732 | Y | 86.5 | Confident | 88.8 | Confident | 23 Ų | 23 | 52 Ų | 52 | 9% | 0.09 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -120.1 | -18.8 | -176.4 | -60.1 | -61.4 | 0 | 0 | 0 | 114.6 | D730 L754 L755 A815 M818 K819 R822 | D730-Y732 PolarHBondContact O-N 2.66Å; Y732-L754 WeakPolarHBondContact O-CA 3.35Å; Y732-L755 PolarHBondContact O-N 2.95Å; Y732-A815 HydrophobicContact CD1-CB 4.22Å; Y732-M818 HydrophobicContact CE1-CB 4.04Å; Y732-K819 HydrophobicContact CE1-CG 4.1Å; Y732-R822 PolarHBondContact OH-NE 3.17Å |
| 733 | Q | 91 | Very high | 88.6 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 155.6 | -174.6 | -74.1 | 174 | -51.3 | 0 | 0 | 112.6 | L696 I697 D730 G753 L754 | L696-Q733 HydrophobicContact CD2-CG 3.96Å; I697-Q733 PolarHBondContact O-NE2 2.95Å; I697-Q733 VanDerWaalsContact O-NE2 3.11Å; I697-Q733 PolarHBondContact O-OE1 3.5Å; D730-Q733 PolarHBondContact N-O 3.45Å; Q733-G753 CarbonylContact C-O 3.54Å; Q733-G753 VanDerWaalsContact CA-O 3.25Å; Q733-G753 WeakPolarHBondContact CA-O 3.03Å; Q733-L754 HydrophobicContact CG-CD2 3.99Å |
| 734 | M | 91.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 146.2 | 153 | 80.7 | 85.3 | 168.9 | 0 | 0 | 109 | L727 A728 V729 L736 F751 A752 G753 L755 M758 I774 L789 F793 L808 | L727-M734 HydrophobicContact CD1-CB 4.05Å; L727-M734 HydrophobicContact CD1-CG 4.29Å; L727-M734 HydrophobicContact CD1-SD 3.57Å; L727-M734 VanDerWaalsContact CD1-SD 3.57Å; A728-M734 WeakPolarHBondContact O-CA 3.39Å; V729-M734 HydrophobicContact CG2-CB 4.41Å; M734-L736 HydrophobicContact SD-CG 4.49Å; M734-F751 HydrophobicContact CE-CD1 3.98Å; M734-F751 HydrophobicContact CE-CE1 3.84Å; M734-A752 WeakPolarHBondContact O-CA 3.49Å; M734-G753 PolarHBondContact N-O 2.64Å; M734-G753 PolarHBondContact O-N 2.77Å; M734-L755 HydrophobicContact CB-CD2 3.92Å; M734-M758 HydrophobicContact CG-SD 4.39Å; M734-I774 HydrophobicContact CE-CD1 3.57Å; M734-I774 HydrophobicContact CG-CD1 4.06Å; M734-L789 HydrophobicContact CE-CD2 3.66Å; M734-F793 HydrophobicContact CE-CE2 4.48Å; M734-F793 HydrophobicContact CE-CZ 3.9Å; M734-L808 HydrophobicContact CB-CD2 3.99Å; M734-L808 HydrophobicContact CG-CD2 4.4Å |
| 735 | S | 91.8 | Very high | 87.4 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.5 | 176 | 57.4 | 0 | 0 | 0 | 0 | 111.9 | A728 F751 | A728-S735 PolarHBondContact N-O 3.16Å; A728-S735 PolarHBondContact O-N 2.82Å; S735-F751 CarbonylContact C-O 3.58Å; S735-F751 VanDerWaalsContact CA-O 3.23Å; S735-F751 WeakPolarHBondContact CA-O 3.45Å |
| 736 | L | 92.3 | Very high | 87.1 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 118.5 | 169.6 | -70.6 | 176.3 | 0 | 0 | 0 | 108.2 | V715 R725 M734 K750 F751 F793 | V715-L736 HydrophobicContact CG1-CD1 4.29Å; V715-L736 HydrophobicContact CG2-CD1 3.95Å; V715-L736 HydrophobicContact CG2-CD2 3.87Å; R725-L736 HydrophobicContact CB-CB 4.34Å; R725-L736 HydrophobicContact CB-CD2 4.01Å; R725-L736 HydrophobicContact CG-CB 4.44Å; M734-L736 HydrophobicContact SD-CG 4.49Å; L736-K750 PolarHBondContact O-N 3.29Å; L736-F751 HydrophobicContact CB-CB 4.15Å; L736-F751 HydrophobicContact CD1-CB 4.17Å; L736-F751 HydrophobicContact CG-CB 4.45Å; L736-F751 PolarHBondContact N-O 3.21Å; L736-F751 PolarHBondContact O-N 3.33Å; L736-F793 HydrophobicContact CD1-CZ 4.08Å; L736-F793 HydrophobicContact CD2-CE2 3.65Å; L736-F793 HydrophobicContact CD2-CZ 4.02Å; L736-F793 HydrophobicContact CG-CE2 4.47Å; L736-F793 HydrophobicContact CG-CZ 4.38Å |
| 737 | V | 92.2 | Very high | 87 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 142.6 | -171.5 | -162 | 0 | 0 | 0 | 0 | 110.5 | L705 F726 A728 G747 V748 V749 | L705-V737 HydrophobicContact CD1-CG1 3.91Å; F726-V737 PolarHBondContact N-O 3.06Å; F726-V737 PolarHBondContact O-N 3.02Å; A728-V737 HydrophobicContact CB-CG2 4.25Å; V737-G747 VanDerWaalsContact CG1-C 3.41Å; V737-V748 WeakPolarHBondContact CA-O 3.21Å; V737-V748 WeakPolarHBondContact CG1-O 3.42Å; V737-V749 HydrophobicContact CG2-CG2 4.46Å |
| 738 | E | 91.1 | Very high | 86.9 | Confident | 69 Ų | 69 | 50.4 Ų | 50.4 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.3 | 174.1 | -179.5 | 161.4 | -131 | 0 | 0 | 108.5 | R725 D740 G747 V748 K750 | R725-E738 VanDerWaalsContact CZ-CD 3.43Å; R725-E738 IonicContact CZ-OE1 3.33Å; R725-E738 VanDerWaalsContact CZ-OE1 3.3Å; R725-E738 IonicContact CZ-OE2 3.68Å; R725-E738 IonicContact NH1-OE1 3.41Å; R725-E738 PolarHBondContact NH1-OE1 3.38Å; R725-E738 IonicContact NH1-OE2 3.3Å; R725-E738 IonicContact NH2-OE1 2.8Å; R725-E738 PolarHBondContact NH2-OE1 2.85Å; R725-E738 VanDerWaalsContact NH2-OE1 3.08Å; R725-E738 IonicContact NH2-OE2 2.8Å; R725-E738 PolarHBondContact NH2-OE2 3.38Å; E738-D740 PolarHBondContact O-N 2.85Å; E738-G747 CarbonylContact O-C 3.6Å; E738-G747 WeakPolarHBondContact O-CA 3.4Å; E738-V748 PolarHBondContact N-O 3.49Å; E738-V748 PolarHBondContact O-N 3.46Å; E738-K750 HydrophobicContact CB-CG 3.98Å; E738-K750 WeakPolarHBondContact OE2-CE 3.21Å |
| 739 | P | 86.3 | Confident | 87 | Confident | 82 Ų | 82 | 49.9 Ų | 49.9 | 53% | 0.532 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 138.9 | -175.2 | 24.2 | -34.4 | 0 | 0 | 0 | 112.4 | F726 V741 | F726-P739 HydrophobicContact CE2-CG 4.37Å; P739-V741 PolarHBondContact O-N 3.44Å |
| 740 | D | 85.2 | Confident | 87.1 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | trans | -72.6 | 113 | -179.3 | -178.8 | -10.5 | 0 | 0 | 0 | 109.9 | V702 E738 S742 R743 W746 | V702-D740 HydrophobicContact CG1-CB 4.29Å; E738-D740 PolarHBondContact O-N 2.85Å; D740-S742 PolarHBondContact O-N 3.38Å; D740-S742 VanDerWaalsContact O-N 3.1Å; D740-S742 WeakPolarHBondContact OD1-CA 3.48Å; D740-S742 WeakPolarHBondContact OD1-CB 3.13Å; D740-S742 PolarHBondContact OD1-N 2.91Å; D740-S742 PolarHBondContact OD1-OG 3.47Å; D740-S742 PolarHBondContact OD2-OG 2.83Å; D740-R743 PolarHBondContact O-N 3.47Å; D740-R743 IonicContact OD2-CZ 2.68Å; D740-R743 VanDerWaalsContact OD2-CZ 3.25Å; D740-R743 IonicContact OD2-NE 2.72Å; D740-R743 PolarHBondContact OD2-NE 2.86Å; D740-R743 IonicContact OD2-NH2 3.16Å; D740-R743 PolarHBondContact OD2-NH2 3.31Å; D740-W746 HydrophobicContact CB-CB 3.8Å; D740-W746 WeakPolarHBondContact CB-O 3.43Å; D740-W746 PolarHBondContact N-O 3.36Å | ||
| 741 | V | 81.6 | Confident | 87.3 | Confident | 159 Ų | 159 | 50.7 Ų | 50.7 | 96% | 0.964 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.2 | 178.5 | -112.2 | 0 | 0 | 0 | 0 | 113.6 | P739 | P739-V741 PolarHBondContact O-N 3.44Š|
| 742 | S | 78.8 | Confident | 87.6 | Confident | 95 Ų | 95 | 48.2 Ų | 48.2 | 66% | 0.664 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -21.3 | -179.7 | 73.8 | 0 | 0 | 0 | 0 | 114.2 | D740 | D740-S742 PolarHBondContact O-N 3.38Å; D740-S742 VanDerWaalsContact O-N 3.1Å; D740-S742 WeakPolarHBondContact OD1-CA 3.48Å; D740-S742 WeakPolarHBondContact OD1-CB 3.13Å; D740-S742 PolarHBondContact OD1-N 2.91Å; D740-S742 PolarHBondContact OD1-OG 3.47Å; D740-S742 PolarHBondContact OD2-OG 2.83Å |
| 743 | R | 83.2 | Confident | 87.8 | Confident | 89 Ų | 89 | 47.5 Ų | 47.5 | 34% | 0.336 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -144.6 | 113 | -171.3 | -66 | 177.9 | -60.6 | 153.8 | 10.7 | 112.6 | D740 G745 W746 | D740-R743 PolarHBondContact O-N 3.47Å; D740-R743 IonicContact OD2-CZ 2.68Å; D740-R743 VanDerWaalsContact OD2-CZ 3.25Å; D740-R743 IonicContact OD2-NE 2.72Å; D740-R743 PolarHBondContact OD2-NE 2.86Å; D740-R743 IonicContact OD2-NH2 3.16Å; D740-R743 PolarHBondContact OD2-NH2 3.31Å; R743-G745 PolarHBondContact O-N 3.21Å; R743-W746 HydrophobicContact CB-CB 4.05Å; R743-W746 HydrophobicContact CB-CG 3.98Å; R743-W746 VanDerWaalsContact CZ-CE3 3.41Å; R743-W746 VanDerWaalsContact NH1-CE2 3.29Å; R743-W746 PolarHBondContact O-N 3.26Å |
| 744 | L | 77.6 | Confident | 87.7 | Confident | 176 Ų | 176 | 48.4 Ų | 48.4 | 92% | 0.921 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 135 | 169.1 | -76.7 | 160.7 | 0 | 0 | 0 | 111 | W746 | L744-W746 VanDerWaalsContact C-N 3.32Š|
| 745 | G | 79.4 | Confident | 87.6 | Confident | 28 Ų | 28 | 48.4 Ų | 48.4 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | -3.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | L705 N706 R743 | L705-G745 WeakPolarHBondContact CA-O 3.42Å; L705-G745 WeakPolarHBondContact CB-O 3.19Å; L705-G745 PolarHBondContact N-O 2.89Å; N706-G745 WeakPolarHBondContact OD1-CA 3.26Å; R743-G745 PolarHBondContact O-N 3.21Å |
| 746 | W | 88.5 | Confident | 87.3 | Confident | 81 Ų | 81 | 48.7 Ų | 48.7 | 31% | 0.307 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 163.1 | 176.8 | -66.5 | 71.1 | 0 | 0 | 0 | 112 | V702 L703 D704 D740 R743 L744 | V702-W746 WeakPolarHBondContact O-CZ3 3.29Å; L703-W746 CarbonylContact O-C 3.58Å; L703-W746 WeakPolarHBondContact O-CA 3.45Å; L703-W746 WeakPolarHBondContact O-CB 3.37Å; D704-W746 HydrophobicContact CB-CD2 3.89Å; D704-W746 HydrophobicContact CB-CE3 3.93Å; D704-W746 HydrophobicContact CB-CH2 3.87Å; D704-W746 HydrophobicContact CB-CZ2 3.81Å; D704-W746 HydrophobicContact CB-CZ3 3.92Å; D704-W746 VanDerWaalsContact N-CE3 3.35Å; D740-W746 HydrophobicContact CB-CB 3.8Å; D740-W746 WeakPolarHBondContact CB-O 3.43Å; D740-W746 PolarHBondContact N-O 3.36Å; R743-W746 HydrophobicContact CB-CB 4.05Å; R743-W746 HydrophobicContact CB-CG 3.98Å; R743-W746 VanDerWaalsContact CZ-CE3 3.41Å; R743-W746 VanDerWaalsContact NH1-CE2 3.29Å; R743-W746 PolarHBondContact O-N 3.26Å; L744-W746 VanDerWaalsContact C-N 3.32Å |
| 747 | G | 88.2 | Confident | 87 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 148.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V702 L703 V737 E738 | V702-G747 CarbonylContact C-O 3.56Å; V702-G747 WeakPolarHBondContact CA-O 3.4Å; V702-G747 WeakPolarHBondContact CG1-O 3.45Å; L703-G747 PolarHBondContact N-O 2.91Å; L703-G747 PolarHBondContact O-N 3.18Å; V737-G747 VanDerWaalsContact CG1-C 3.41Å; E738-G747 CarbonylContact O-C 3.6Å; E738-G747 WeakPolarHBondContact O-CA 3.4Å |
| 748 | V | 90.9 | Very high | 86.8 | Confident | 28 Ų | 28 | 50 Ų | 50 | 17% | 0.17 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 127.7 | -179.8 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | D700 D701 V702 V737 E738 K750 | D700-V748 HydrophobicContact CB-CG1 4.35Å; D701-V748 WeakPolarHBondContact O-CA 3.21Å; V702-V748 HydrophobicContact CG1-CG2 3.85Å; V702-V748 HydrophobicContact CG2-CG2 4.16Å; V737-V748 WeakPolarHBondContact CA-O 3.21Å; V737-V748 WeakPolarHBondContact CG1-O 3.42Å; E738-V748 PolarHBondContact N-O 3.49Å; E738-V748 PolarHBondContact O-N 3.46Å; V748-K750 HydrophobicContact CG1-CD 4.44Å; V748-K750 PolarHBondContact O-N 3.21Å |
| 749 | V | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 123.6 | 179.2 | 177.1 | 0 | 0 | 0 | 0 | 109.8 | I697 K698 D700 D701 L703 V737 F751 A752 | I697-V749 HydrophobicContact CG2-CB 4.41Å; I697-V749 HydrophobicContact CG2-CG1 4.21Å; I697-V749 HydrophobicContact CG2-CG2 3.7Å; K698-V749 WeakPolarHBondContact O-CG1 3.1Å; D700-V749 VanDerWaalsContact CA-O 3.31Å; D700-V749 WeakPolarHBondContact CA-O 3.35Å; D700-V749 PolarHBondContact N-O 2.87Å; D701-V749 HydrophobicContact CB-CG2 4.47Å; D701-V749 WeakPolarHBondContact O-CG2 3.44Å; D701-V749 PolarHBondContact O-N 2.85Å; L703-V749 HydrophobicContact CD1-CG2 3.55Å; L703-V749 HydrophobicContact CG-CG2 3.87Å; V737-V749 HydrophobicContact CG2-CG2 4.46Å; V749-F751 WeakPolarHBondContact CG1-O 3.43Å; V749-A752 HydrophobicContact CG1-CB 4.17Å |
| 750 | K | 91.5 | Very high | 87 | Confident | 81 Ų | 81 | 49.9 Ų | 49.9 | 35% | 0.352 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -10.9 | 177.3 | -61.3 | -56 | -178.9 | -174.1 | 0 | 113.9 | D700 L736 E738 V748 | D700-K750 IonicContact OD1-NZ 2.7Å; D700-K750 PolarHBondContact OD1-NZ 3.41Å; L736-K750 PolarHBondContact O-N 3.29Å; E738-K750 HydrophobicContact CB-CG 3.98Å; E738-K750 WeakPolarHBondContact OE2-CE 3.21Å; V748-K750 HydrophobicContact CG1-CD 4.44Å; V748-K750 PolarHBondContact O-N 3.21Å |
| 751 | F | 90.8 | Very high | 87.3 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 143 | 166.4 | 176.2 | -88.1 | 0 | 0 | 0 | 108.8 | M734 S735 L736 V749 I774 I788 L789 | M734-F751 HydrophobicContact CE-CD1 3.98Å; M734-F751 HydrophobicContact CE-CE1 3.84Å; S735-F751 CarbonylContact C-O 3.58Å; S735-F751 VanDerWaalsContact CA-O 3.23Å; S735-F751 WeakPolarHBondContact CA-O 3.45Å; L736-F751 HydrophobicContact CB-CB 4.15Å; L736-F751 HydrophobicContact CD1-CB 4.17Å; L736-F751 HydrophobicContact CG-CB 4.45Å; L736-F751 PolarHBondContact N-O 3.21Å; L736-F751 PolarHBondContact O-N 3.33Å; V749-F751 WeakPolarHBondContact CG1-O 3.43Å; F751-I774 HydrophobicContact CE1-CD1 4Å; F751-I774 HydrophobicContact CZ-CD1 4.4Å; F751-I788 HydrophobicContact CE2-CG2 4Å; F751-L789 HydrophobicContact CD1-CD2 4.06Å; F751-L789 HydrophobicContact CE1-CB 4.32Å; F751-L789 HydrophobicContact CE1-CD2 3.78Å; F751-L789 HydrophobicContact CE2-CB 3.84Å; F751-L789 HydrophobicContact CE2-CD2 4.44Å; F751-L789 HydrophobicContact CZ-CB 3.65Å; F751-L789 HydrophobicContact CZ-CD2 3.99Å; F751-L789 HydrophobicContact CZ-CG 4.4Å |
| 752 | A | 90.5 | Very high | 87.6 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 17% | 0.165 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 139 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | I697 M734 V749 | I697-A752 WeakPolarHBondContact O-CB 3.42Å; M734-A752 WeakPolarHBondContact O-CA 3.49Å; V749-A752 HydrophobicContact CG1-CB 4.17Å |
| 753 | G | 89.1 | Confident | 88.2 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 7% | 0.072 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 144 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q733 M734 | Q733-G753 CarbonylContact C-O 3.54Å; Q733-G753 VanDerWaalsContact CA-O 3.25Å; Q733-G753 WeakPolarHBondContact CA-O 3.03Å; M734-G753 PolarHBondContact N-O 2.64Å; M734-G753 PolarHBondContact O-N 2.77Å |
| 754 | L | 89.8 | Confident | 88.1 | Confident | 31 Ų | 31 | 49.3 Ų | 49.3 | 16% | 0.162 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 135.3 | -175.9 | -67.5 | 172.7 | 0 | 0 | 0 | 111.8 | T691 L696 Y732 Q733 Q756 D757 P777 | T691-L754 HydrophobicContact CG2-CD2 4.31Å; L696-L754 HydrophobicContact CD1-CD2 4.19Å; L696-L754 HydrophobicContact CD2-CD2 4.02Å; Y732-L754 WeakPolarHBondContact O-CA 3.35Å; Q733-L754 HydrophobicContact CG-CD2 3.99Å; L754-Q756 VanDerWaalsContact C-N 3.25Å; L754-Q756 HydrophobicContact CB-CG 4.44Å; L754-Q756 PolarHBondContact O-N 3.39Å; L754-D757 WeakPolarHBondContact CB-OD2 3.41Å; L754-D757 WeakPolarHBondContact CD1-OD2 3.33Å; L754-P777 HydrophobicContact CD1-CG 4.4Å |
| 755 | L | 89.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -68.4 | -22.9 | -179.7 | -70.9 | 167 | 0 | 0 | 0 | 113.1 | V729 D730 Y732 M734 M758 L808 R812 A815 | V729-L755 HydrophobicContact CG1-CD1 4.05Å; V729-L755 HydrophobicContact CG1-CD2 4.16Å; D730-L755 VanDerWaalsContact O-CD1 3.3Å; D730-L755 WeakPolarHBondContact O-CD1 3.36Å; Y732-L755 PolarHBondContact O-N 2.95Å; M734-L755 HydrophobicContact CB-CD2 3.92Å; L755-M758 HydrophobicContact CD2-CE 3.54Å; L755-M758 HydrophobicContact CD2-SD 4.36Å; L755-L808 HydrophobicContact CD2-CD2 4.22Å; L755-R812 HydrophobicContact CB-CB 4.43Å; L755-R812 WeakPolarHBondContact O-CB 3.36Å; L755-R812 VanDerWaalsContact O-CD 3.32Å; L755-R812 WeakPolarHBondContact O-CD 3.33Å; L755-R812 VanDerWaalsContact O-CG 3.25Å; L755-R812 WeakPolarHBondContact O-CG 3.23Å; L755-A815 HydrophobicContact CB-CB 4.32Å |
| 756 | Q | 85.6 | Confident | 89.1 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -74.9 | -36.8 | -177.9 | 75.7 | -177 | 24.9 | 0 | 0 | 113.1 | E615 L754 M758 R812 K819 | E615-Q756 PolarHBondContact OE2-NE2 2.82Å; L754-Q756 VanDerWaalsContact C-N 3.25Å; L754-Q756 HydrophobicContact CB-CG 4.44Å; L754-Q756 PolarHBondContact O-N 3.39Å; Q756-M758 VanDerWaalsContact C-N 3.27Å; Q756-M758 PolarHBondContact O-N 3.11Å; Q756-R812 VanDerWaalsContact O-CZ 3.31Å; Q756-R812 PolarHBondContact O-NH1 2.86Å; Q756-K819 VanDerWaalsContact OE1-CE 3.23Å |
| 757 | D | 85.5 | Confident | 89.1 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 18% | 0.176 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -87.9 | 1.5 | -176.1 | -51 | -69.2 | 0 | 0 | 0 | 112.8 | L754 H775 | L754-D757 WeakPolarHBondContact CB-OD2 3.41Å; L754-D757 WeakPolarHBondContact CD1-OD2 3.33Å; D757-H775 WeakPolarHBondContact CB-O 3.48Å; D757-H775 PolarHBondContact O-N 3.13Å; D757-H775 PolarHBondContact O-ND1 2.99Å; D757-H775 VanDerWaalsContact O-ND1 3.15Å |
| 758 | M | 88.6 | Confident | 89.4 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.02 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 129.1 | -176.7 | -178.3 | -179.2 | 58.2 | 0 | 0 | 112.5 | M734 L755 Q756 V760 I772 T773 I774 L808 R812 | M734-M758 HydrophobicContact CG-SD 4.39Å; L755-M758 HydrophobicContact CD2-CE 3.54Å; L755-M758 HydrophobicContact CD2-SD 4.36Å; Q756-M758 VanDerWaalsContact C-N 3.27Å; Q756-M758 PolarHBondContact O-N 3.11Å; M758-V760 HydrophobicContact CE-CG2 4.08Å; M758-V760 HydrophobicContact CG-CG2 3.84Å; M758-V760 HydrophobicContact SD-CG2 3.86Å; M758-I772 HydrophobicContact CG-CG2 3.97Å; M758-I772 HydrophobicContact SD-CG2 4.15Å; M758-T773 CarbonylContact C-O 3.58Å; M758-T773 WeakPolarHBondContact CA-O 3.26Å; M758-I774 HydrophobicContact CB-CD1 4.28Å; M758-I774 HydrophobicContact CB-CG1 3.85Å; M758-I774 HydrophobicContact CG-CD1 4.22Å; M758-I774 HydrophobicContact CG-CG1 3.84Å; M758-I774 HydrophobicContact SD-CD1 4.42Å; M758-L808 HydrophobicContact CE-CB 3.74Å; M758-L808 HydrophobicContact CE-CD2 3.87Å; M758-L808 HydrophobicContact CE-CG 4.3Å; M758-L808 HydrophobicContact SD-CB 4.41Å; M758-L808 HydrophobicContact SD-CD1 4.39Å; M758-L808 HydrophobicContact SD-CD2 3.84Å; M758-L808 HydrophobicContact SD-CG 4.44Å; M758-R812 PolarHBondContact O-NH1 2.72Å |
| 759 | Q | 89.4 | Confident | 89.5 | Confident | 110 Ų | 110 | 52.6 Ų | 52.6 | 51% | 0.514 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 135.9 | 167.2 | -61.6 | 177.7 | 6.6 | 0 | 0 | 109.1 | I772 T773 H775 | Q759-I772 WeakPolarHBondContact O-CA 3.44Å; Q759-T773 PolarHBondContact N-O 2.81Å; Q759-T773 PolarHBondContact O-N 3.4Å; Q759-H775 PolarHBondContact NE2-CE1 3.3Å |
| 760 | V | 91.3 | Very high | 89.6 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 24% | 0.242 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 113.7 | -179 | -177 | 0 | 0 | 0 | 0 | 109.2 | M758 L770 I772 K805 L808 | M758-V760 HydrophobicContact CE-CG2 4.08Å; M758-V760 HydrophobicContact CG-CG2 3.84Å; M758-V760 HydrophobicContact SD-CG2 3.86Å; V760-L770 HydrophobicContact CG1-CB 4.41Å; V760-L770 HydrophobicContact CG1-CD1 4.13Å; V760-L770 HydrophobicContact CG1-CD2 4.47Å; V760-I772 HydrophobicContact CG1-CG1 4.34Å; V760-I772 HydrophobicContact CG2-CG1 4.36Å; V760-K805 HydrophobicContact CG1-CG 4.26Å; V760-L808 HydrophobicContact CG2-CB 4.33Å; V760-L808 HydrophobicContact CG2-CD1 4.2Å |
| 761 | T | 91.3 | Very high | 89.7 | Confident | 81 Ų | 81 | 51.5 Ų | 51.5 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 153 | 174.4 | 51.3 | 0 | 0 | 0 | 0 | 110.6 | L770 N771 | T761-L770 CarbonylContact O-C 3.57Å; T761-L770 WeakPolarHBondContact O-CA 3.44Å; T761-N771 PolarHBondContact N-O 2.81Å; T761-N771 PolarHBondContact O-N 2.96Å; T761-N771 WeakPolarHBondContact OG1-CB 3.46Å |
| 762 | G | 89.3 | Confident | 89.8 | Confident | 35 Ų | 35 | 50 Ų | 50 | 36% | 0.361 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 152.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 763 | V | 90.1 | Very high | 89.7 | Confident | 43 Ų | 43 | 49.8 Ų | 49.8 | 26% | 0.261 | 27% | 0.271 | S | S | . | . | trans | -84.2 | 131.7 | 164.5 | -176.5 | 0 | 0 | 0 | 0 | 108 | A769 T792 | V763-A769 HydrophobicContact CB-CB 3.96Å; V763-A769 HydrophobicContact CG2-CB 3.62Å; V763-A769 PolarHBondContact N-O 3.37Å; V763-A769 VanDerWaalsContact N-O 3.16Å; V763-T792 HydrophobicContact CG2-CG2 4.27Å | ||
| 764 | E | 82.4 | Confident | 89.7 | Confident | 195 Ų | 195 | 49.5 Ų | 49.5 | 91% | 0.911 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -69.5 | -36.3 | -175.6 | -59.3 | -170.7 | 154.7 | 0 | 0 | 111.9 | ||
| 765 | D | 86.2 | Confident | 89.5 | Confident | 165 Ų | 165 | 49.6 Ų | 49.6 | 88% | 0.882 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -88 | -15.2 | -178.4 | -59.9 | -62.3 | 0 | 0 | 0 | 115.7 | ||
| 766 | D | 90.6 | Very high | 89 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 19% | 0.193 | 29% | 0.294 | C | S | . | . | trans | -132.2 | 103.8 | 172.1 | -168.1 | -7.9 | 0 | 0 | 0 | 112 | R768 A769 | D766-R768 PolarHBondContact O-N 2.74Å; D766-R768 VanDerWaalsContact OD1-CB 3.3Å; D766-R768 WeakPolarHBondContact OD1-CB 3.46Å; D766-R768 WeakPolarHBondContact OD1-CG 3.35Å; D766-R768 IonicContact OD1-CZ 3.84Å; D766-R768 PolarHBondContact OD1-N 3.25Å; D766-R768 IonicContact OD1-NE 3.03Å; D766-R768 PolarHBondContact OD1-NE 3.13Å; D766-R768 IonicContact OD1-NH2 3.73Å; D766-R768 IonicContact OD2-CZ 3.5Å; D766-R768 IonicContact OD2-NE 3.38Å; D766-R768 PolarHBondContact OD2-NE 3.3Å; D766-R768 IonicContact OD2-NH2 2.77Å; D766-R768 PolarHBondContact OD2-NH2 3.37Å; D766-A769 HydrophobicContact CB-CB 4.07Å; D766-A769 PolarHBondContact O-N 3.08Å | ||
| 767 | S | 89.7 | Confident | 88 | Confident | 71 Ų | 71 | 57.6 Ų | 57.6 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -16.9 | 172.1 | 66.3 | 0 | 0 | 0 | 0 | 115.3 | H798 C801 | S767-H798 PolarHBondContact O-CD2 3.02Å; S767-C801 WeakPolarHBondContact O-CB 3.25Å; S767-C801 PolarHBondContact O-SG 3.46Å |
| 768 | R | 93.6 | Very high | 86.7 | Confident | 104 Ų | 104 | 57.6 Ų | 57.6 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 1.3 | 178.2 | -52.2 | 168.4 | -62.2 | 162.2 | 12 | 113.4 | D766 F795 | D766-R768 PolarHBondContact O-N 2.74Å; D766-R768 VanDerWaalsContact OD1-CB 3.3Å; D766-R768 WeakPolarHBondContact OD1-CB 3.46Å; D766-R768 WeakPolarHBondContact OD1-CG 3.35Å; D766-R768 IonicContact OD1-CZ 3.84Å; D766-R768 PolarHBondContact OD1-N 3.25Å; D766-R768 IonicContact OD1-NE 3.03Å; D766-R768 PolarHBondContact OD1-NE 3.13Å; D766-R768 IonicContact OD1-NH2 3.73Å; D766-R768 IonicContact OD2-CZ 3.5Å; D766-R768 IonicContact OD2-NE 3.38Å; D766-R768 PolarHBondContact OD2-NE 3.3Å; D766-R768 IonicContact OD2-NH2 2.77Å; D766-R768 PolarHBondContact OD2-NH2 3.37Å; R768-F795 WeakPolarHBondContact O-CD2 3.29Å; R768-F795 PolarHBondContact O-N 2.94Å |
| 769 | A | 93.2 | Very high | 85 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 134.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | V763 D766 T792 F793 I794 | V763-A769 HydrophobicContact CB-CB 3.96Å; V763-A769 HydrophobicContact CG2-CB 3.62Å; V763-A769 PolarHBondContact N-O 3.37Å; V763-A769 VanDerWaalsContact N-O 3.16Å; D766-A769 HydrophobicContact CB-CB 4.07Å; D766-A769 PolarHBondContact O-N 3.08Å; A769-T792 HydrophobicContact CB-CG2 4.06Å; A769-F793 WeakPolarHBondContact CA-O 3.39Å; A769-I794 HydrophobicContact CB-CG1 4.24Å |
| 770 | L | 93.9 | Very high | 83.3 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.2 | 171.1 | -59.6 | 178.3 | 0 | 0 | 0 | 110 | V760 T761 I772 T792 F793 F795 A804 K805 | V760-L770 HydrophobicContact CG1-CB 4.41Å; V760-L770 HydrophobicContact CG1-CD1 4.13Å; V760-L770 HydrophobicContact CG1-CD2 4.47Å; T761-L770 CarbonylContact O-C 3.57Å; T761-L770 WeakPolarHBondContact O-CA 3.44Å; L770-I772 HydrophobicContact CB-CG1 4.25Å; L770-T792 CarbonylContact O-C 3.58Å; L770-T792 WeakPolarHBondContact O-CA 3.28Å; L770-F793 PolarHBondContact N-O 3.2Å; L770-F793 PolarHBondContact O-N 2.99Å; L770-F795 HydrophobicContact CB-CE2 4.34Å; L770-F795 HydrophobicContact CD1-CE2 3.76Å; L770-F795 HydrophobicContact CD1-CZ 4.27Å; L770-F795 HydrophobicContact CG-CE2 3.92Å; L770-A804 HydrophobicContact CD1-CB 4.19Å; L770-K805 HydrophobicContact CD1-CB 3.87Å; L770-K805 HydrophobicContact CD2-CB 4.14Å; L770-K805 HydrophobicContact CD2-CD 4.02Å; L770-K805 HydrophobicContact CD2-CG 4.29Å |
| 771 | N | 92.6 | Very high | 81.3 | Confident | 56 Ų | 56 | 63 Ų | 63 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 121.2 | 166.1 | -77.7 | -27.9 | 0 | 0 | 0 | 108.4 | T761 T792 | T761-N771 PolarHBondContact N-O 2.81Å; T761-N771 PolarHBondContact O-N 2.96Å; T761-N771 WeakPolarHBondContact OG1-CB 3.46Å; N771-T792 PolarHBondContact OD1-OG1 3.26Å |
| 772 | I | 93 | Very high | 79.3 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 123.2 | -179 | -57.4 | -175 | 0 | 0 | 0 | 108.9 | M758 Q759 V760 L770 I774 Q790 A791 F793 L808 | M758-I772 HydrophobicContact CG-CG2 3.97Å; M758-I772 HydrophobicContact SD-CG2 4.15Å; Q759-I772 WeakPolarHBondContact O-CA 3.44Å; V760-I772 HydrophobicContact CG1-CG1 4.34Å; V760-I772 HydrophobicContact CG2-CG1 4.36Å; L770-I772 HydrophobicContact CB-CG1 4.25Å; I772-I774 HydrophobicContact CG2-CG1 4.32Å; I772-Q790 WeakPolarHBondContact O-CA 3.47Å; I772-A791 PolarHBondContact N-O 3.41Å; I772-A791 PolarHBondContact O-N 2.89Å; I772-F793 HydrophobicContact CB-CD1 4.02Å; I772-F793 HydrophobicContact CB-CE1 3.86Å; I772-F793 HydrophobicContact CB-CZ 4.48Å; I772-F793 HydrophobicContact CD1-CB 4.35Å; I772-F793 HydrophobicContact CD1-CD1 3.81Å; I772-F793 HydrophobicContact CD1-CD2 3.78Å; I772-F793 HydrophobicContact CD1-CE1 3.96Å; I772-F793 HydrophobicContact CD1-CE2 3.89Å; I772-F793 HydrophobicContact CD1-CG 3.74Å; I772-F793 HydrophobicContact CD1-CZ 4Å; I772-F793 HydrophobicContact CG1-CD1 3.97Å; I772-F793 HydrophobicContact CG1-CE1 4.21Å; I772-F793 HydrophobicContact CG1-CG 4.29Å; I772-F793 HydrophobicContact CG2-CE1 4.47Å; I772-L808 HydrophobicContact CD1-CD1 3.61Å |
| 773 | T | 90 | Very high | 77.9 | Confident | 17 Ų | 17 | 67.9 Ų | 67.9 | 10% | 0.104 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.9 | 174.8 | -50.5 | 0 | 0 | 0 | 0 | 109 | M758 Q759 H775 P787 L789 Q790 | M758-T773 CarbonylContact C-O 3.58Å; M758-T773 WeakPolarHBondContact CA-O 3.26Å; Q759-T773 PolarHBondContact N-O 2.81Å; Q759-T773 PolarHBondContact O-N 3.4Å; T773-H775 WeakPolarHBondContact CG2-NE2 3.22Å; T773-P787 HydrophobicContact CG2-CB 3.86Å; T773-L789 CarbonylContact C-O 3.4Å; T773-L789 VanDerWaalsContact CA-O 3.29Å; T773-L789 WeakPolarHBondContact CA-O 3.35Å; T773-Q790 HydrophobicContact CG2-CB 4.19Å; T773-Q790 HydrophobicContact CG2-CG 4.25Å |
| 774 | I | 88.5 | Confident | 76.4 | Confident | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.005 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.9 | 173.6 | -61.1 | -176 | 0 | 0 | 0 | 108.3 | M734 F751 M758 I772 P787 I788 L789 | M734-I774 HydrophobicContact CE-CD1 3.57Å; M734-I774 HydrophobicContact CG-CD1 4.06Å; F751-I774 HydrophobicContact CE1-CD1 4Å; F751-I774 HydrophobicContact CZ-CD1 4.4Å; M758-I774 HydrophobicContact CB-CD1 4.28Å; M758-I774 HydrophobicContact CB-CG1 3.85Å; M758-I774 HydrophobicContact CG-CD1 4.22Å; M758-I774 HydrophobicContact CG-CG1 3.84Å; M758-I774 HydrophobicContact SD-CD1 4.42Å; I772-I774 HydrophobicContact CG2-CG1 4.32Å; I774-P787 CarbonylContact O-C 3.22Å; I774-P787 WeakPolarHBondContact O-CA 3.38Å; I774-I788 PolarHBondContact O-N 3.32Å; I774-L789 HydrophobicContact CB-CB 4.37Å; I774-L789 PolarHBondContact N-O 3.42Å; I774-L789 PolarHBondContact O-N 3.16Å |
| 775 | H | 85.3 | Confident | 75.6 | Confident | 33 Ų | 33 | 69.5 Ų | 69.5 | 15% | 0.153 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 154 | -179.5 | -54.4 | 84.9 | 0 | 0 | 0 | 111 | D757 Q759 T773 P785 F786 | D757-H775 WeakPolarHBondContact CB-O 3.48Å; D757-H775 PolarHBondContact O-N 3.13Å; D757-H775 PolarHBondContact O-ND1 2.99Å; D757-H775 VanDerWaalsContact O-ND1 3.15Å; Q759-H775 PolarHBondContact NE2-CE1 3.3Å; T773-H775 WeakPolarHBondContact CG2-NE2 3.22Å; H775-P785 HydrophobicContact CB-CB 3.7Å; H775-F786 CarbonylContact C-O 3.54Å; H775-F786 WeakPolarHBondContact CA-O 3.23Å |
| 776 | K | 77.9 | Confident | 75.1 | Confident | 130 Ų | 130 | 68.8 Ų | 68.8 | 57% | 0.565 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 136.5 | 162 | -165.8 | 172.4 | -177.8 | 179.2 | 0 | 107.8 | A778 F786 I788 | K776-A778 PolarHBondContact O-N 2.92Å; K776-F786 PolarHBondContact N-O 2.71Å; K776-I788 HydrophobicContact CB-CD1 3.77Å; K776-I788 HydrophobicContact CB-CG1 3.77Å; K776-I788 HydrophobicContact CG-CD1 4.14Å |
| 777 | P | 64.6 | Low | 74.7 | Confident | 46 Ų | 46 | 68.9 Ų | 68.9 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -48.6 | 129.4 | 167.7 | -28.8 | 36 | 0 | 0 | 0 | 110.1 | L754 | L754-P777 HydrophobicContact CD1-CG 4.4Š|
| 778 | A | 58.7 | Low | 74.5 | Confident | 33 Ų | 33 | 70.1 Ų | 70.1 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 134.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | K776 S780 | K776-A778 PolarHBondContact O-N 2.92Å; A778-S780 PolarHBondContact O-N 2.71Å |
| 779 | S | 52.8 | Low | 74.1 | Confident | 124 Ų | 124 | 66 Ų | 66 | 87% | 0.867 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -76.2 | -11.4 | 177.6 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 780 | S | 53.4 | Low | 74 | Confident | 52 Ų | 52 | 70 Ų | 70 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -149.5 | 149.6 | 166.1 | 73 | 0 | 0 | 0 | 0 | 110.4 | A778 H782 S783 | A778-S780 PolarHBondContact O-N 2.71Å; S780-H782 PolarHBondContact O-N 3.25Å; S780-S783 PolarHBondContact N-OG 3.12Å; S780-S783 PolarHBondContact O-N 3.4Å; S780-S783 PolarHBondContact O-OG 3.28Å; S780-S783 WeakPolarHBondContact OG-CB 3.3Å; S780-S783 PolarHBondContact OG-N 3.36Å |
| 781 | P | 50.2 | Low | 73.9 | Confident | 91 Ų | 91 | 70.1 Ų | 70.1 | 59% | 0.591 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 3.2 | -177.4 | 29 | -37.4 | 0 | 0 | 0 | 114.6 | ||
| 782 | H | 50.3 | Low | 73.9 | Confident | 178 Ų | 178 | 69.4 Ų | 69.4 | 82% | 0.824 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | -4.7 | 176.2 | -55.3 | -26.5 | 0 | 0 | 0 | 112.8 | S780 | S780-H782 PolarHBondContact O-N 3.25Š|
| 783 | S | 59.1 | Low | 74 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 29% | 0.287 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -80 | 139.9 | 174.3 | 63.7 | 0 | 0 | 0 | 0 | 111.1 | S780 P785 | S780-S783 PolarHBondContact N-OG 3.12Å; S780-S783 PolarHBondContact O-N 3.4Å; S780-S783 PolarHBondContact O-OG 3.28Å; S780-S783 WeakPolarHBondContact OG-CB 3.3Å; S780-S783 PolarHBondContact OG-N 3.36Å; S783-P785 WeakPolarHBondContact O-CD 3.3Å |
| 784 | K | 58.8 | Low | 74.2 | Confident | 201 Ų | 201 | 70.9 Ų | 70.9 | 87% | 0.874 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 125.4 | 174 | -74.5 | -177.1 | 177.5 | 176.4 | 0 | 109.3 | F786 | K784-F786 PolarHBondContact O-N 2.66Š|
| 785 | P | 65.1 | Low | 74.5 | Confident | 71 Ų | 71 | 71 Ų | 71 | 46% | 0.461 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 128.8 | -178.8 | -24.4 | 34.2 | 0 | 0 | 0 | 112 | H775 S783 | H775-P785 HydrophobicContact CB-CB 3.7Å; S783-P785 WeakPolarHBondContact O-CD 3.3Å |
| 786 | F | 75.6 | Confident | 74.7 | Confident | 150 Ų | 150 | 72.9 Ų | 72.9 | 66% | 0.658 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -83.6 | 125.7 | -179.9 | -176.7 | -88 | 0 | 0 | 0 | 110.5 | H775 K776 K784 I788 | H775-F786 CarbonylContact C-O 3.54Å; H775-F786 WeakPolarHBondContact CA-O 3.23Å; K776-F786 PolarHBondContact N-O 2.71Å; K784-F786 PolarHBondContact O-N 2.66Å; F786-I788 PolarHBondContact O-N 3.34Å |
| 787 | P | 82.3 | Confident | 75.4 | Confident | 38 Ų | 38 | 69 Ų | 69 | 25% | 0.247 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 115.2 | 178.4 | 29.3 | -33.3 | 0 | 0 | 0 | 111.2 | T773 I774 Q790 | T773-P787 HydrophobicContact CG2-CB 3.86Å; I774-P787 CarbonylContact O-C 3.22Å; I774-P787 WeakPolarHBondContact O-CA 3.38Å; P787-Q790 HydrophobicContact CB-CB 4.48Å |
| 788 | I | 84.8 | Confident | 76.6 | Confident | 97 Ų | 97 | 71.4 Ų | 71.4 | 50% | 0.497 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -40.3 | 171.6 | -53 | 172.1 | 0 | 0 | 0 | 109.7 | F751 I774 K776 F786 | F751-I788 HydrophobicContact CE2-CG2 4Å; I774-I788 PolarHBondContact O-N 3.32Å; K776-I788 HydrophobicContact CB-CD1 3.77Å; K776-I788 HydrophobicContact CB-CG1 3.77Å; K776-I788 HydrophobicContact CG-CD1 4.14Å; F786-I788 PolarHBondContact O-N 3.34Å |
| 789 | L | 86.2 | Confident | 78.2 | Confident | 19 Ų | 19 | 75.5 Ų | 75.5 | 10% | 0.099 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.8 | 173.8 | -179.7 | 66.6 | 0 | 0 | 0 | 108.8 | M734 F751 T773 I774 A791 F793 | M734-L789 HydrophobicContact CE-CD2 3.66Å; F751-L789 HydrophobicContact CD1-CD2 4.06Å; F751-L789 HydrophobicContact CE1-CB 4.32Å; F751-L789 HydrophobicContact CE1-CD2 3.78Å; F751-L789 HydrophobicContact CE2-CB 3.84Å; F751-L789 HydrophobicContact CE2-CD2 4.44Å; F751-L789 HydrophobicContact CZ-CB 3.65Å; F751-L789 HydrophobicContact CZ-CD2 3.99Å; F751-L789 HydrophobicContact CZ-CG 4.4Å; T773-L789 CarbonylContact C-O 3.4Å; T773-L789 VanDerWaalsContact CA-O 3.29Å; T773-L789 WeakPolarHBondContact CA-O 3.35Å; I774-L789 HydrophobicContact CB-CB 4.37Å; I774-L789 PolarHBondContact N-O 3.42Å; I774-L789 PolarHBondContact O-N 3.16Å; L789-A791 HydrophobicContact CD1-CB 3.91Å; L789-A791 HydrophobicContact CG-CB 4.35Å; L789-F793 HydrophobicContact CD2-CE1 4.31Å; L789-F793 HydrophobicContact CD2-CZ 4.27Å |
| 790 | Q | 90.4 | Very high | 80.1 | Confident | 87 Ų | 87 | 75 Ų | 75 | 41% | 0.407 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 108.1 | 162.9 | -175.6 | 170.4 | 7 | 0 | 0 | 107.7 | K718 I772 T773 P787 | K718-Q790 VanDerWaalsContact CE-CD 3.44Å; I772-Q790 WeakPolarHBondContact O-CA 3.47Å; T773-Q790 HydrophobicContact CG2-CB 4.19Å; T773-Q790 HydrophobicContact CG2-CG 4.25Å; P787-Q790 HydrophobicContact CB-CB 4.48Å |
| 791 | A | 92.3 | Very high | 82 | Confident | 6 Ų | 6 | 72.9 Ų | 72.9 | 5% | 0.05 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 154.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V715 I716 I772 L789 F793 | V715-A791 HydrophobicContact CG1-CB 3.73Å; I716-A791 CarbonylContact O-C 3.57Å; I716-A791 VanDerWaalsContact O-CA 3.23Å; I716-A791 WeakPolarHBondContact O-CA 3.34Å; I716-A791 VanDerWaalsContact O-CB 3.24Å; I716-A791 WeakPolarHBondContact O-CB 3.3Å; I772-A791 PolarHBondContact N-O 3.41Å; I772-A791 PolarHBondContact O-N 2.89Å; L789-A791 HydrophobicContact CD1-CB 3.91Å; L789-A791 HydrophobicContact CG-CB 4.35Å; A791-F793 HydrophobicContact CB-CD1 4.42Å; A791-F793 HydrophobicContact CB-CE1 4.1Å |
| 792 | T | 93.4 | Very high | 83.9 | Confident | 41 Ų | 41 | 71.7 Ų | 71.7 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 126.2 | 173.8 | -51.8 | 0 | 0 | 0 | 0 | 109.6 | I716 V763 A769 L770 N771 I794 | I716-T792 PolarHBondContact N-O 3.19Å; I716-T792 PolarHBondContact O-N 3.08Å; V763-T792 HydrophobicContact CG2-CG2 4.27Å; A769-T792 HydrophobicContact CB-CG2 4.06Å; L770-T792 CarbonylContact O-C 3.58Å; L770-T792 WeakPolarHBondContact O-CA 3.28Å; N771-T792 PolarHBondContact OD1-OG1 3.26Å; T792-I794 HydrophobicContact CG2-CG1 4.4Å |
| 793 | F | 94.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 109.9 | -178.9 | -77.2 | 55.2 | 0 | 0 | 0 | 108.8 | C713 T714 V715 L727 M734 L736 A769 L770 I772 L789 A791 F795 | C713-F793 HydrophobicContact CB-CD2 4.48Å; T714-F793 WeakPolarHBondContact O-CA 3.18Å; V715-F793 HydrophobicContact CG1-CD1 4.28Å; V715-F793 HydrophobicContact CG1-CE1 3.97Å; V715-F793 HydrophobicContact CG1-CZ 4.37Å; V715-F793 HydrophobicContact CG2-CD1 4.42Å; V715-F793 HydrophobicContact CG2-CD2 4.11Å; V715-F793 HydrophobicContact CG2-CE1 4.32Å; V715-F793 HydrophobicContact CG2-CE2 4.04Å; V715-F793 HydrophobicContact CG2-CG 4.3Å; V715-F793 HydrophobicContact CG2-CZ 4.13Å; L727-F793 HydrophobicContact CD1-CE2 4.44Å; M734-F793 HydrophobicContact CE-CE2 4.48Å; M734-F793 HydrophobicContact CE-CZ 3.9Å; L736-F793 HydrophobicContact CD1-CZ 4.08Å; L736-F793 HydrophobicContact CD2-CE2 3.65Å; L736-F793 HydrophobicContact CD2-CZ 4.02Å; L736-F793 HydrophobicContact CG-CE2 4.47Å; L736-F793 HydrophobicContact CG-CZ 4.38Å; A769-F793 WeakPolarHBondContact CA-O 3.39Å; L770-F793 PolarHBondContact N-O 3.2Å; L770-F793 PolarHBondContact O-N 2.99Å; I772-F793 HydrophobicContact CB-CD1 4.02Å; I772-F793 HydrophobicContact CB-CE1 3.86Å; I772-F793 HydrophobicContact CB-CZ 4.48Å; I772-F793 HydrophobicContact CD1-CB 4.35Å; I772-F793 HydrophobicContact CD1-CD1 3.81Å; I772-F793 HydrophobicContact CD1-CD2 3.78Å; I772-F793 HydrophobicContact CD1-CE1 3.96Å; I772-F793 HydrophobicContact CD1-CE2 3.89Å; I772-F793 HydrophobicContact CD1-CG 3.74Å; I772-F793 HydrophobicContact CD1-CZ 4Å; I772-F793 HydrophobicContact CG1-CD1 3.97Å; I772-F793 HydrophobicContact CG1-CE1 4.21Å; I772-F793 HydrophobicContact CG1-CG 4.29Å; I772-F793 HydrophobicContact CG2-CE1 4.47Å; L789-F793 HydrophobicContact CD2-CE1 4.31Å; L789-F793 HydrophobicContact CD2-CZ 4.27Å; A791-F793 HydrophobicContact CB-CD1 4.42Å; A791-F793 HydrophobicContact CB-CE1 4.1Å; F793-F795 HydrophobicContact CB-CE2 3.86Å; F793-F795 HydrophobicContact CB-CZ 4.02Å; F793-F795 HydrophobicContact CD2-CZ 4.36Å; F793-F795 WeakPolarHBondContact O-CE2 3.27Å |
| 794 | I | 93.6 | Very high | 87.5 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127.9 | 177.3 | -54.4 | -176 | 0 | 0 | 0 | 109.6 | C713 T714 I716 A769 T792 | C713-I794 CarbonylContact C-O 3.59Å; C713-I794 WeakPolarHBondContact CA-O 3.33Å; T714-I794 PolarHBondContact N-O 3.05Å; T714-I794 PolarHBondContact O-N 3.13Å; I716-I794 HydrophobicContact CD1-CD1 3.61Å; I716-I794 HydrophobicContact CD1-CG1 4.29Å; A769-I794 HydrophobicContact CB-CG1 4.24Å; T792-I794 HydrophobicContact CG2-CG1 4.4Å |
| 795 | F | 94.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 160.1 | 177.4 | -59.1 | -86.4 | 0 | 0 | 0 | 110.9 | I711 C713 R768 L770 F793 D797 R800 C801 A804 | I711-F795 HydrophobicContact CG2-CD1 3.7Å; I711-F795 HydrophobicContact CG2-CE1 3.65Å; C713-F795 HydrophobicContact CB-CD1 3.88Å; C713-F795 HydrophobicContact CB-CE1 3.63Å; C713-F795 HydrophobicContact CB-CZ 4.18Å; R768-F795 WeakPolarHBondContact O-CD2 3.29Å; R768-F795 PolarHBondContact O-N 2.94Å; L770-F795 HydrophobicContact CB-CE2 4.34Å; L770-F795 HydrophobicContact CD1-CE2 3.76Å; L770-F795 HydrophobicContact CD1-CZ 4.27Å; L770-F795 HydrophobicContact CG-CE2 3.92Å; F793-F795 HydrophobicContact CB-CE2 3.86Å; F793-F795 HydrophobicContact CB-CZ 4.02Å; F793-F795 HydrophobicContact CD2-CZ 4.36Å; F793-F795 WeakPolarHBondContact O-CE2 3.27Å; F795-D797 PolarHBondContact O-N 2.76Å; F795-R800 HydrophobicContact CB-CB 4.12Å; F795-R800 HydrophobicContact CD1-CB 4.45Å; F795-C801 HydrophobicContact CB-CB 4.24Å; F795-C801 HydrophobicContact CD2-CB 3.9Å; F795-C801 HydrophobicContact CG-CB 4.3Å; F795-A804 HydrophobicContact CD1-CB 4.34Å; F795-A804 HydrophobicContact CE1-CB 3.55Å; F795-A804 HydrophobicContact CE2-CB 4.02Å; F795-A804 HydrophobicContact CZ-CB 3.37Å |
| 796 | S | 90.9 | Very high | 90.4 | Very high | 72 Ų | 72 | 62.9 Ų | 62.9 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -61.6 | -30.1 | -180 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | R800 | S796-R800 VanDerWaalsContact OG-CD 3.28Å; S796-R800 WeakPolarHBondContact OG-CD 3.44Å; S796-R800 VanDerWaalsContact OG-CZ 3.23Å; S796-R800 PolarHBondContact OG-NE 3.14Å |
| 797 | D | 92.2 | Very high | 91.1 | Very high | 49 Ų | 49 | 58.8 Ų | 58.8 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -154.4 | 159.7 | -171.7 | 58.5 | 79.9 | 0 | 0 | 0 | 111 | F795 I799 R800 C801 | F795-D797 PolarHBondContact O-N 2.76Å; D797-I799 PolarHBondContact O-N 3.15Å; D797-I799 WeakPolarHBondContact OD1-CB 3.3Å; D797-I799 PolarHBondContact OD1-N 3.23Å; D797-I799 VanDerWaalsContact OD1-N 3.15Å; D797-R800 PolarHBondContact O-N 2.82Å; D797-R800 WeakPolarHBondContact OD1-CG 3.44Å; D797-R800 PolarHBondContact OD1-N 3.27Å; D797-R800 WeakPolarHBondContact OD2-CD 3.26Å; D797-R800 IonicContact OD2-CZ 2.84Å; D797-R800 IonicContact OD2-NE 3.7Å; D797-R800 PolarHBondContact OD2-NE 2.85Å; D797-R800 IonicContact OD2-NH2 3.82Å; D797-C801 PolarHBondContact O-N 2.85Å; D797-C801 VanDerWaalsContact O-N 3.16Å |
| 798 | H | 89.9 | Confident | 91.6 | Very high | 97 Ų | 97 | 57 Ų | 57 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.5 | -29.4 | -179.3 | 172.2 | -126.7 | 0 | 0 | 0 | 112.9 | S767 C801 I802 | S767-H798 PolarHBondContact O-CD2 3.02Å; H798-C801 WeakPolarHBondContact O-CB 3.42Å; H798-C801 PolarHBondContact O-N 3.2Å; H798-I802 VanDerWaalsContact CE1-CD1 3.49Å; H798-I802 WeakPolarHBondContact CE1-CD1 3.35Å; H798-I802 WeakPolarHBondContact NE2-CD1 3.26Å; H798-I802 PolarHBondContact O-N 2.87Å |
| 799 | I | 92.1 | Very high | 91.9 | Very high | 119 Ų | 119 | 54.9 Ų | 54.9 | 61% | 0.61 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -70.1 | -46.6 | -178.8 | -60.3 | 170.1 | 0 | 0 | 0 | 109.6 | D797 C801 I802 I803 | D797-I799 PolarHBondContact O-N 3.15Å; D797-I799 WeakPolarHBondContact OD1-CB 3.3Å; D797-I799 PolarHBondContact OD1-N 3.23Å; D797-I799 VanDerWaalsContact OD1-N 3.15Å; I799-C801 VanDerWaalsContact C-N 3.32Å; I799-C801 PolarHBondContact O-N 2.65Å; I799-I802 PolarHBondContact O-N 2.82Å; I799-I803 HydrophobicContact CG2-CD1 3.81Å; I799-I803 HydrophobicContact CG2-CG1 4.49Å; I799-I803 VanDerWaalsContact O-CG1 3.28Å; I799-I803 WeakPolarHBondContact O-CG1 3.46Å; I799-I803 PolarHBondContact O-N 3.23Å |
| 800 | R | 91.6 | Very high | 92.2 | Very high | 114 Ų | 114 | 61 Ų | 61 | 43% | 0.43 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -35.8 | 173.4 | -69 | -173.8 | -141.8 | -156.4 | 0.8 | 112.9 | I711 F795 S796 D797 I803 A804 | I711-R800 HydrophobicContact CG2-CB 4.39Å; F795-R800 HydrophobicContact CB-CB 4.12Å; F795-R800 HydrophobicContact CD1-CB 4.45Å; S796-R800 VanDerWaalsContact OG-CD 3.28Å; S796-R800 WeakPolarHBondContact OG-CD 3.44Å; S796-R800 VanDerWaalsContact OG-CZ 3.23Å; S796-R800 PolarHBondContact OG-NE 3.14Å; D797-R800 PolarHBondContact O-N 2.82Å; D797-R800 WeakPolarHBondContact OD1-CG 3.44Å; D797-R800 PolarHBondContact OD1-N 3.27Å; D797-R800 WeakPolarHBondContact OD2-CD 3.26Å; D797-R800 IonicContact OD2-CZ 2.84Å; D797-R800 IonicContact OD2-NE 3.7Å; D797-R800 PolarHBondContact OD2-NE 2.85Å; D797-R800 IonicContact OD2-NH2 3.82Å; R800-I803 PolarHBondContact O-N 2.83Å; R800-A804 WeakPolarHBondContact O-CB 3.29Å; R800-A804 PolarHBondContact O-N 2.7Å |
| 801 | C | 93.3 | Very high | 92.2 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60 | -48.2 | 172.9 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | S767 F795 D797 H798 I799 A804 K805 | S767-C801 WeakPolarHBondContact O-CB 3.25Å; S767-C801 PolarHBondContact O-SG 3.46Å; F795-C801 HydrophobicContact CB-CB 4.24Å; F795-C801 HydrophobicContact CD2-CB 3.9Å; F795-C801 HydrophobicContact CG-CB 4.3Å; D797-C801 PolarHBondContact O-N 2.85Å; D797-C801 VanDerWaalsContact O-N 3.16Å; H798-C801 WeakPolarHBondContact O-CB 3.42Å; H798-C801 PolarHBondContact O-N 3.2Å; I799-C801 VanDerWaalsContact C-N 3.32Å; I799-C801 PolarHBondContact O-N 2.65Å; C801-A804 PolarHBondContact O-N 2.94Å; C801-K805 WeakPolarHBondContact O-CB 3.49Å; C801-K805 PolarHBondContact O-N 2.96Å |
| 802 | I | 90.6 | Very high | 92.1 | Very high | 66 Ų | 66 | 61 Ų | 61 | 34% | 0.338 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 174.2 | -73.7 | 177.1 | 0 | 0 | 0 | 111.4 | H798 I799 A804 K805 Q806 | H798-I802 VanDerWaalsContact CE1-CD1 3.49Å; H798-I802 WeakPolarHBondContact CE1-CD1 3.35Å; H798-I802 WeakPolarHBondContact NE2-CD1 3.26Å; H798-I802 PolarHBondContact O-N 2.87Å; I799-I802 PolarHBondContact O-N 2.82Å; I802-A804 VanDerWaalsContact C-N 3.33Å; I802-A804 PolarHBondContact O-N 3.41Å; I802-K805 PolarHBondContact O-N 2.97Å; I802-Q806 HydrophobicContact CG2-CG 4.13Å; I802-Q806 WeakPolarHBondContact O-CB 3.45Å; I802-Q806 WeakPolarHBondContact O-CG 3.35Å; I802-Q806 PolarHBondContact O-N 3Å |
| 803 | I | 92.1 | Very high | 92 | Very high | 82 Ų | 82 | 64.8 Ų | 64.8 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | -179.9 | -69.2 | 166.5 | 0 | 0 | 0 | 110.7 | I711 I799 R800 R807 | I711-I803 HydrophobicContact CD1-CG2 4.01Å; I799-I803 HydrophobicContact CG2-CD1 3.81Å; I799-I803 HydrophobicContact CG2-CG1 4.49Å; I799-I803 VanDerWaalsContact O-CG1 3.28Å; I799-I803 WeakPolarHBondContact O-CG1 3.46Å; I799-I803 PolarHBondContact O-N 3.23Å; R800-I803 PolarHBondContact O-N 2.83Å; I803-R807 WeakPolarHBondContact O-CB 3.27Å; I803-R807 PolarHBondContact O-N 3.45Å |
| 804 | A | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.4 | -49.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I711 L727 L770 F795 R800 C801 I802 Q806 R807 L808 | I711-A804 HydrophobicContact CD1-CB 3.93Å; I711-A804 HydrophobicContact CG2-CB 4.45Å; L727-A804 HydrophobicContact CD2-CB 4.29Å; L770-A804 HydrophobicContact CD1-CB 4.19Å; F795-A804 HydrophobicContact CD1-CB 4.34Å; F795-A804 HydrophobicContact CE1-CB 3.55Å; F795-A804 HydrophobicContact CE2-CB 4.02Å; F795-A804 HydrophobicContact CZ-CB 3.37Å; R800-A804 WeakPolarHBondContact O-CB 3.29Å; R800-A804 PolarHBondContact O-N 2.7Å; C801-A804 PolarHBondContact O-N 2.94Å; I802-A804 VanDerWaalsContact C-N 3.33Å; I802-A804 PolarHBondContact O-N 3.41Å; A804-Q806 PolarHBondContact O-N 2.92Å; A804-R807 PolarHBondContact O-N 2.97Å; A804-L808 WeakPolarHBondContact O-CB 3.48Å; A804-L808 VanDerWaalsContact O-CG 3.23Å; A804-L808 WeakPolarHBondContact O-CG 3.45Å; A804-L808 PolarHBondContact O-N 3.27Å |
| 805 | K | 92.4 | Very high | 91.6 | Very high | 99 Ų | 99 | 66.3 Ų | 66.3 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.4 | -46.3 | 178.2 | -170.2 | 177 | -177.9 | 177.4 | 0 | 112 | V760 L770 C801 I802 A809 | V760-K805 HydrophobicContact CG1-CG 4.26Å; L770-K805 HydrophobicContact CD1-CB 3.87Å; L770-K805 HydrophobicContact CD2-CB 4.14Å; L770-K805 HydrophobicContact CD2-CD 4.02Å; L770-K805 HydrophobicContact CD2-CG 4.29Å; C801-K805 WeakPolarHBondContact O-CB 3.49Å; C801-K805 PolarHBondContact O-N 2.96Å; I802-K805 PolarHBondContact O-N 2.97Å; K805-A809 WeakPolarHBondContact O-CB 3.3Å; K805-A809 PolarHBondContact O-N 2.76Å |
| 806 | Q | 91.9 | Very high | 91.3 | Very high | 126 Ų | 126 | 67.4 Ų | 67.4 | 59% | 0.589 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.2 | -42.7 | 177.9 | -74.5 | -179.4 | -10.5 | 0 | 0 | 112.1 | I802 A804 A809 K810 | I802-Q806 HydrophobicContact CG2-CG 4.13Å; I802-Q806 WeakPolarHBondContact O-CB 3.45Å; I802-Q806 WeakPolarHBondContact O-CG 3.35Å; I802-Q806 PolarHBondContact O-N 3Å; A804-Q806 PolarHBondContact O-N 2.92Å; Q806-A809 PolarHBondContact O-N 3.39Å; Q806-K810 VanDerWaalsContact O-CB 3.31Å; Q806-K810 WeakPolarHBondContact O-CB 3.21Å; Q806-K810 PolarHBondContact O-N 2.78Å |
| 807 | R | 91.4 | Very high | 91.3 | Very high | 64 Ų | 64 | 69.3 Ų | 69.3 | 24% | 0.242 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.9 | -37.7 | -179.6 | -173.9 | 170 | 173.9 | -165.8 | -8 | 112.7 | D709 V729 I803 A804 G811 | D709-R807 PolarHBondContact O-NH1 3.43Å; D709-R807 PolarHBondContact O-NH2 2.91Å; V729-R807 HydrophobicContact CB-CG 4.23Å; V729-R807 HydrophobicContact CG1-CG 4.39Å; V729-R807 HydrophobicContact CG2-CG 4.26Å; V729-R807 PolarHBondContact O-NH2 3.21Å; I803-R807 WeakPolarHBondContact O-CB 3.27Å; I803-R807 PolarHBondContact O-N 3.45Å; A804-R807 PolarHBondContact O-N 2.97Å; R807-G811 PolarHBondContact O-N 3.06Å |
| 808 | L | 93 | Very high | 91.2 | Very high | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 173 | -71.2 | 172.5 | 0 | 0 | 0 | 111.5 | L727 V729 M734 L755 M758 V760 I772 A804 R812 | L727-L808 HydrophobicContact CD1-CD2 4.41Å; L727-L808 HydrophobicContact CD2-CD1 4.12Å; L727-L808 HydrophobicContact CD2-CD2 4.28Å; L727-L808 HydrophobicContact CD2-CG 4.33Å; V729-L808 HydrophobicContact CG2-CD2 3.7Å; V729-L808 HydrophobicContact CG2-CG 4.49Å; M734-L808 HydrophobicContact CB-CD2 3.99Å; M734-L808 HydrophobicContact CG-CD2 4.4Å; L755-L808 HydrophobicContact CD2-CD2 4.22Å; M758-L808 HydrophobicContact CE-CB 3.74Å; M758-L808 HydrophobicContact CE-CD2 3.87Å; M758-L808 HydrophobicContact CE-CG 4.3Å; M758-L808 HydrophobicContact SD-CB 4.41Å; M758-L808 HydrophobicContact SD-CD1 4.39Å; M758-L808 HydrophobicContact SD-CD2 3.84Å; M758-L808 HydrophobicContact SD-CG 4.44Å; V760-L808 HydrophobicContact CG2-CB 4.33Å; V760-L808 HydrophobicContact CG2-CD1 4.2Å; I772-L808 HydrophobicContact CD1-CD1 3.61Å; A804-L808 WeakPolarHBondContact O-CB 3.48Å; A804-L808 VanDerWaalsContact O-CG 3.23Å; A804-L808 WeakPolarHBondContact O-CG 3.45Å; A804-L808 PolarHBondContact O-N 3.27Å; L808-R812 PolarHBondContact O-N 2.93Å |
| 809 | A | 91.3 | Very high | 91.2 | Very high | 51 Ų | 51 | 65.4 Ų | 65.4 | 42% | 0.421 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.8 | -47.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | K805 Q806 G811 R812 I813 | K805-A809 WeakPolarHBondContact O-CB 3.3Å; K805-A809 PolarHBondContact O-N 2.76Å; Q806-A809 PolarHBondContact O-N 3.39Å; A809-G811 VanDerWaalsContact C-N 3.33Å; A809-G811 PolarHBondContact O-N 3.02Å; A809-R812 PolarHBondContact O-N 2.67Å; A809-I813 WeakPolarHBondContact O-CG1 3.22Å; A809-I813 PolarHBondContact O-N 3.23Å |
| 810 | K | 91.4 | Very high | 91.2 | Very high | 147 Ų | 147 | 60.5 Ų | 60.5 | 64% | 0.639 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.3 | -42.4 | 175.8 | -175.9 | 177.6 | 177 | -179 | 0 | 111.2 | Q806 I813 Q814 | Q806-K810 VanDerWaalsContact O-CB 3.31Å; Q806-K810 WeakPolarHBondContact O-CB 3.21Å; Q806-K810 PolarHBondContact O-N 2.78Å; K810-I813 PolarHBondContact O-N 3.47Å; K810-Q814 VanDerWaalsContact O-CB 3.26Å; K810-Q814 WeakPolarHBondContact O-CB 3.3Å; K810-Q814 PolarHBondContact O-N 3.36Å |
| 811 | G | 91.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R807 A809 I813 Q814 A815 | R807-G811 PolarHBondContact O-N 3.06Å; A809-G811 VanDerWaalsContact C-N 3.33Å; A809-G811 PolarHBondContact O-N 3.02Å; G811-I813 PolarHBondContact O-N 3.35Å; G811-Q814 PolarHBondContact O-N 3.17Å; G811-A815 WeakPolarHBondContact O-CB 3.32Å; G811-A815 PolarHBondContact O-N 3.27Å |
| 812 | R | 90.6 | Very high | 91 | Very high | 87 Ų | 87 | 60.9 Ų | 60.9 | 33% | 0.328 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 175 | 176.4 | 171 | 168.5 | 163.9 | -0.1 | 112.7 | L755 Q756 M758 L808 A809 R816 | L755-R812 HydrophobicContact CB-CB 4.43Å; L755-R812 WeakPolarHBondContact O-CB 3.36Å; L755-R812 VanDerWaalsContact O-CD 3.32Å; L755-R812 WeakPolarHBondContact O-CD 3.33Å; L755-R812 VanDerWaalsContact O-CG 3.25Å; L755-R812 WeakPolarHBondContact O-CG 3.23Å; Q756-R812 VanDerWaalsContact O-CZ 3.31Å; Q756-R812 PolarHBondContact O-NH1 2.86Å; M758-R812 PolarHBondContact O-NH1 2.72Å; L808-R812 PolarHBondContact O-N 2.93Å; A809-R812 PolarHBondContact O-N 2.67Å; R812-R816 PolarHBondContact O-N 3.12Å; R812-R816 VanDerWaalsContact O-N 3.14Å |
| 813 | I | 89.8 | Confident | 91.2 | Very high | 120 Ų | 120 | 57.7 Ų | 57.7 | 62% | 0.615 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -66.4 | -41.7 | 176.3 | -65.5 | 165.9 | 0 | 0 | 0 | 110.6 | A809 K810 G811 R816 R817 | A809-I813 WeakPolarHBondContact O-CG1 3.22Å; A809-I813 PolarHBondContact O-N 3.23Å; K810-I813 PolarHBondContact O-N 3.47Å; G811-I813 PolarHBondContact O-N 3.35Å; I813-R816 PolarHBondContact O-N 3.42Å; I813-R817 WeakPolarHBondContact O-CB 3.41Å; I813-R817 PolarHBondContact O-N 3.22Å |
| 814 | Q | 90.7 | Very high | 91.2 | Very high | 80 Ų | 80 | 54.2 Ų | 54.2 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.3 | -43 | 177.7 | -178.4 | 169.8 | -20 | 0 | 0 | 112 | K810 G811 R817 M818 | K810-Q814 VanDerWaalsContact O-CB 3.26Å; K810-Q814 WeakPolarHBondContact O-CB 3.3Å; K810-Q814 PolarHBondContact O-N 3.36Å; G811-Q814 PolarHBondContact O-N 3.17Å; Q814-R817 PolarHBondContact O-N 2.93Å; Q814-M818 HydrophobicContact CG-CG 4.43Å; Q814-M818 WeakPolarHBondContact O-CB 3.28Å; Q814-M818 VanDerWaalsContact O-CG 3.24Å; Q814-M818 WeakPolarHBondContact O-CG 3.44Å; Q814-M818 PolarHBondContact O-N 3.23Å |
| 815 | A | 89.6 | Confident | 91.1 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58 | -49.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I731 Y732 L755 G811 M818 K819 | I731-A815 WeakPolarHBondContact O-CA 3.17Å; I731-A815 VanDerWaalsContact O-CB 3.3Å; I731-A815 WeakPolarHBondContact O-CB 3.37Å; Y732-A815 HydrophobicContact CD1-CB 4.22Å; L755-A815 HydrophobicContact CB-CB 4.32Å; G811-A815 WeakPolarHBondContact O-CB 3.32Å; G811-A815 PolarHBondContact O-N 3.27Å; A815-M818 PolarHBondContact O-N 2.97Å; A815-K819 WeakPolarHBondContact O-CG 3.39Å; A815-K819 PolarHBondContact O-N 3.23Å |
| 816 | R | 89.8 | Confident | 91.2 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 10% | 0.102 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.5 | -41.6 | 177.4 | -74.3 | 178.1 | 156.4 | -105.2 | -5.5 | 112.2 | D608 L611 D612 R812 I813 K819 M820 | D608-R816 VanDerWaalsContact OD1-CD 3.31Å; D608-R816 WeakPolarHBondContact OD1-CD 3.17Å; D608-R816 IonicContact OD1-CZ 3.25Å; D608-R816 IonicContact OD1-NE 3.08Å; D608-R816 IonicContact OD1-NH1 2.83Å; D608-R816 PolarHBondContact OD1-NH1 3.35Å; L611-R816 HydrophobicContact CD2-CB 3.89Å; L611-R816 HydrophobicContact CD2-CG 3.79Å; D612-R816 IonicContact OD1-CZ 3.62Å; D612-R816 IonicContact OD1-NH1 3.21Å; D612-R816 IonicContact OD1-NH2 2.86Å; D612-R816 PolarHBondContact OD1-NH2 3Å; D612-R816 IonicContact OD2-CZ 3.46Å; D612-R816 IonicContact OD2-NH1 3.11Å; D612-R816 PolarHBondContact OD2-NH1 3.23Å; D612-R816 IonicContact OD2-NH2 2.78Å; D612-R816 PolarHBondContact OD2-NH2 2.89Å; R812-R816 PolarHBondContact O-N 3.12Å; R812-R816 VanDerWaalsContact O-N 3.14Å; I813-R816 PolarHBondContact O-N 3.42Å; R816-K819 PolarHBondContact O-N 2.95Å; R816-M820 WeakPolarHBondContact O-CB 3.37Å; R816-M820 PolarHBondContact O-N 3.06Å |
| 817 | R | 89.9 | Confident | 91.2 | Very high | 111 Ų | 111 | 45.6 Ų | 45.6 | 42% | 0.419 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 173.7 | -174.9 | 176.5 | 178.8 | -179 | -0.1 | 112.3 | I813 Q814 M820 Q821 | I813-R817 WeakPolarHBondContact O-CB 3.41Å; I813-R817 PolarHBondContact O-N 3.22Å; Q814-R817 PolarHBondContact O-N 2.93Å; R817-M820 PolarHBondContact O-N 3.01Å; R817-Q821 WeakPolarHBondContact O-CB 3.41Å; R817-Q821 WeakPolarHBondContact O-CG 3.08Å; R817-Q821 PolarHBondContact O-N 3.22Å |
| 818 | M | 89.4 | Confident | 91.1 | Very high | 62 Ų | 62 | 48 Ų | 48 | 31% | 0.305 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.8 | -41.1 | 177.2 | -73.7 | -69.3 | -178 | 0 | 0 | 111.9 | I731 Y732 Q814 A815 Q821 R822 | I731-M818 HydrophobicContact CG2-CG 4.18Å; Y732-M818 HydrophobicContact CE1-CB 4.04Å; Q814-M818 HydrophobicContact CG-CG 4.43Å; Q814-M818 WeakPolarHBondContact O-CB 3.28Å; Q814-M818 VanDerWaalsContact O-CG 3.24Å; Q814-M818 WeakPolarHBondContact O-CG 3.44Å; Q814-M818 PolarHBondContact O-N 3.23Å; A815-M818 PolarHBondContact O-N 2.97Å; M818-Q821 PolarHBondContact O-N 3.14Å; M818-R822 PolarHBondContact O-N 3.14Å |
| 819 | K | 90.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 171.9 | -71.3 | -173.1 | 177.5 | -153.9 | 0 | 112.2 | L611 E615 L690 T691 Y732 Q756 A815 R816 Q821 R822 I823 | L611-K819 HydrophobicContact CD1-CB 3.7Å; L611-K819 HydrophobicContact CD1-CD 4.15Å; L611-K819 HydrophobicContact CD2-CB 4.09Å; L611-K819 HydrophobicContact CD2-CD 4.35Å; E615-K819 IonicContact OE1-NZ 3.48Å; E615-K819 PolarHBondContact OE1-NZ 3.05Å; E615-K819 IonicContact OE2-NZ 3.3Å; E615-K819 PolarHBondContact OE2-NZ 3.24Å; L690-K819 HydrophobicContact CB-CG 4.45Å; L690-K819 HydrophobicContact CD1-CB 4.41Å; T691-K819 WeakPolarHBondContact OG1-CE 3.37Å; T691-K819 PolarHBondContact OG1-NZ 3.48Å; Y732-K819 HydrophobicContact CE1-CG 4.1Å; Q756-K819 VanDerWaalsContact OE1-CE 3.23Å; A815-K819 WeakPolarHBondContact O-CG 3.39Å; A815-K819 PolarHBondContact O-N 3.23Å; R816-K819 PolarHBondContact O-N 2.95Å; K819-Q821 VanDerWaalsContact C-N 3.27Å; K819-Q821 PolarHBondContact O-N 3.48Å; K819-R822 CarbonylContact O-C 3.55Å; K819-R822 WeakPolarHBondContact O-CA 2.97Å; K819-R822 WeakPolarHBondContact O-CB 3.43Å; K819-R822 PolarHBondContact O-N 3.16Å; K819-I823 WeakPolarHBondContact O-CG1 3.43Å; K819-I823 PolarHBondContact O-N 2.99Å |
| 820 | M | 91.5 | Very high | 90.2 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.7 | -34.5 | 177 | -166.8 | 61.1 | 79.3 | 0 | 0 | 111.8 | Y604 E607 F610 L611 R816 R817 I823 A824 | Y604-M820 HydrophobicContact CD2-SD 4.32Å; Y604-M820 HydrophobicContact CE2-CG 4.2Å; Y604-M820 HydrophobicContact CE2-SD 3.44Å; Y604-M820 WeakPolarHBondContact CE2-SD 3.38Å; Y604-M820 WeakPolarHBondContact OH-CG 3.32Å; Y604-M820 PolarHBondContact OH-O 3.05Å; E607-M820 WeakPolarHBondContact O-CE 3.3Å; F610-M820 HydrophobicContact CD1-CE 4.37Å; F610-M820 HydrophobicContact CD1-SD 4.31Å; L611-M820 HydrophobicContact CB-CE 3.7Å; R816-M820 WeakPolarHBondContact O-CB 3.37Å; R816-M820 PolarHBondContact O-N 3.06Å; R817-M820 PolarHBondContact O-N 3.01Å; M820-I823 PolarHBondContact O-N 3.44Å; M820-I823 HydrophobicContact SD-CD1 4.16Å; M820-A824 PolarHBondContact O-N 2.88Å |
| 821 | Q | 90.6 | Very high | 89.1 | Confident | 43 Ų | 43 | 51.1 Ų | 51.1 | 20% | 0.201 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.5 | -35.5 | 170.9 | -73.5 | 175.4 | -58.9 | 0 | 0 | 113.1 | R817 M818 K819 I823 A824 A825 | R817-Q821 WeakPolarHBondContact O-CB 3.41Å; R817-Q821 WeakPolarHBondContact O-CG 3.08Å; R817-Q821 PolarHBondContact O-N 3.22Å; M818-Q821 PolarHBondContact O-N 3.14Å; K819-Q821 VanDerWaalsContact C-N 3.27Å; K819-Q821 PolarHBondContact O-N 3.48Å; Q821-I823 VanDerWaalsContact C-N 3.32Å; Q821-A824 PolarHBondContact O-N 3.3Å; Q821-A825 PolarHBondContact O-N 3.47Å |
| 822 | R | 91 | Very high | 87.4 | Confident | 84 Ų | 84 | 57.9 Ų | 57.9 | 32% | 0.317 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 168.2 | -76.1 | -177.1 | 169.8 | -174.5 | -5.5 | 111 | L690 D695 Y732 M818 K819 A825 L826 | L690-R822 HydrophobicContact CD2-CB 3.96Å; L690-R822 PolarHBondContact O-NH1 2.98Å; D695-R822 IonicContact OD2-CZ 3.1Å; D695-R822 IonicContact OD2-NH1 2.71Å; D695-R822 PolarHBondContact OD2-NH1 3.28Å; D695-R822 IonicContact OD2-NH2 3.48Å; D695-R822 PolarHBondContact OD2-NH2 3.45Å; Y732-R822 PolarHBondContact OH-NE 3.17Å; M818-R822 PolarHBondContact O-N 3.14Å; K819-R822 CarbonylContact O-C 3.55Å; K819-R822 WeakPolarHBondContact O-CA 2.97Å; K819-R822 WeakPolarHBondContact O-CB 3.43Å; K819-R822 PolarHBondContact O-N 3.16Å; R822-A825 PolarHBondContact O-N 3.16Å; R822-L826 PolarHBondContact O-N 2.91Å |
| 823 | I | 93.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.9 | -42.4 | 174 | -56.6 | 166.4 | 0 | 0 | 0 | 111.7 | Y604 F610 L611 F614 L690 K819 M820 Q821 A825 L826 L827 | Y604-I823 HydrophobicContact CD2-CG2 4.32Å; Y604-I823 HydrophobicContact CE2-CB 4.48Å; Y604-I823 HydrophobicContact CE2-CG2 4.2Å; F610-I823 HydrophobicContact CE1-CG2 4.09Å; L611-I823 HydrophobicContact CD1-CD1 3.77Å; F614-I823 HydrophobicContact CB-CD1 4.19Å; F614-I823 HydrophobicContact CD1-CD1 3.8Å; F614-I823 HydrophobicContact CD1-CG1 3.96Å; F614-I823 HydrophobicContact CD2-CD1 4.43Å; F614-I823 HydrophobicContact CD2-CG2 4.26Å; F614-I823 HydrophobicContact CE1-CD1 4.22Å; F614-I823 HydrophobicContact CE1-CG1 3.84Å; F614-I823 HydrophobicContact CE2-CG2 3.9Å; F614-I823 HydrophobicContact CG-CD1 3.91Å; F614-I823 HydrophobicContact CG-CG1 4.37Å; F614-I823 HydrophobicContact CZ-CG1 4.15Å; F614-I823 HydrophobicContact CZ-CG2 4.06Å; L690-I823 HydrophobicContact CD1-CD1 3.72Å; L690-I823 HydrophobicContact CD1-CG1 3.6Å; L690-I823 HydrophobicContact CD2-CG1 3.94Å; L690-I823 HydrophobicContact CG-CG1 4.43Å; K819-I823 WeakPolarHBondContact O-CG1 3.43Å; K819-I823 PolarHBondContact O-N 2.99Å; M820-I823 PolarHBondContact O-N 3.44Å; M820-I823 HydrophobicContact SD-CD1 4.16Å; Q821-I823 VanDerWaalsContact C-N 3.32Å; I823-A825 VanDerWaalsContact C-N 3.25Å; I823-A825 PolarHBondContact O-N 3.34Å; I823-L826 WeakPolarHBondContact O-CB 3.27Å; I823-L826 PolarHBondContact O-N 2.95Å; I823-L826 VanDerWaalsContact O-N 3.12Å; I823-L827 HydrophobicContact CG2-CD1 3.85Å; I823-L827 HydrophobicContact CG2-CG 4.24Å; I823-L827 WeakPolarHBondContact O-CG 3.33Å; I823-L827 PolarHBondContact O-N 2.96Å |
| 824 | A | 92 | Very high | 83.3 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M820 Q821 L827 D828 L829 | M820-A824 PolarHBondContact O-N 2.88Å; Q821-A824 PolarHBondContact O-N 3.3Å; A824-L827 CarbonylContact O-C 3.55Å; A824-L827 PolarHBondContact O-N 3.24Å; A824-D828 PolarHBondContact O-N 3.4Å; A824-L829 HydrophobicContact CB-CB 4.25Å; A824-L829 WeakPolarHBondContact O-CB 3.17Å; A824-L829 PolarHBondContact O-N 3.19Å |
| 825 | A | 91.8 | Very high | 80.7 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q821 R822 I823 L827 D828 I831 | Q821-A825 PolarHBondContact O-N 3.47Å; R822-A825 PolarHBondContact O-N 3.16Å; I823-A825 VanDerWaalsContact C-N 3.25Å; I823-A825 PolarHBondContact O-N 3.34Å; A825-L827 PolarHBondContact O-N 3.38Å; A825-D828 PolarHBondContact O-N 3.15Å; A825-D828 VanDerWaalsContact O-N 3.12Å; A825-I831 HydrophobicContact CB-CD1 3.86Å; A825-I831 HydrophobicContact CB-CG1 4.46Å |
| 826 | L | 93.1 | Very high | 78.3 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.3 | -17.8 | 172.6 | -85.4 | 162.5 | 0 | 0 | 0 | 114 | F614 F670 Q687 L688 L690 R822 I823 | F614-L826 HydrophobicContact CZ-CD1 4.32Å; F670-L826 HydrophobicContact CZ-CB 4.39Å; F670-L826 HydrophobicContact CZ-CD2 4.4Å; Q687-L826 HydrophobicContact CB-CD2 3.86Å; Q687-L826 HydrophobicContact CB-CG 4.32Å; Q687-L826 VanDerWaalsContact OE1-CD2 3.23Å; L688-L826 HydrophobicContact CD2-CD1 3.64Å; L688-L826 HydrophobicContact CG-CD1 4.11Å; L688-L826 HydrophobicContact CG-CD2 4.47Å; L690-L826 HydrophobicContact CD2-CD1 3.84Å; R822-L826 PolarHBondContact O-N 2.91Å; I823-L826 WeakPolarHBondContact O-CB 3.27Å; I823-L826 PolarHBondContact O-N 2.95Å; I823-L826 VanDerWaalsContact O-N 3.12Å |
| 827 | L | 92.6 | Very high | 75.6 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 18.6 | 177.3 | -59.7 | 174.9 | 0 | 0 | 0 | 112.1 | V597 V600 R601 Y604 F670 I823 A824 A825 L829 | V597-L827 HydrophobicContact CG1-CB 4.2Å; V597-L827 HydrophobicContact CG1-CD2 3.96Å; V600-L827 HydrophobicContact CB-CD2 3.9Å; V600-L827 HydrophobicContact CG1-CD1 3.82Å; V600-L827 HydrophobicContact CG1-CD2 3.73Å; V600-L827 HydrophobicContact CG1-CG 4.43Å; R601-L827 HydrophobicContact CG-CB 4.26Å; R601-L827 PolarHBondContact NE-O 3.4Å; R601-L827 PolarHBondContact NH2-O 2.79Å; Y604-L827 HydrophobicContact CD2-CD1 3.82Å; Y604-L827 HydrophobicContact CG-CD1 4.2Å; F670-L827 HydrophobicContact CE2-CD2 4.31Å; F670-L827 HydrophobicContact CZ-CD2 4.42Å; I823-L827 HydrophobicContact CG2-CD1 3.85Å; I823-L827 HydrophobicContact CG2-CG 4.24Å; I823-L827 WeakPolarHBondContact O-CG 3.33Å; I823-L827 PolarHBondContact O-N 2.96Å; A824-L827 CarbonylContact O-C 3.55Å; A824-L827 PolarHBondContact O-N 3.24Å; A825-L827 PolarHBondContact O-N 3.38Å; L827-L829 HydrophobicContact CB-CD1 4.37Å; L827-L829 HydrophobicContact CB-CG 4.18Å; L827-L829 PolarHBondContact O-N 3.47Å |
| 828 | D | 89.8 | Confident | 73 | Confident | 114 Ų | 114 | 75.2 Ų | 75.2 | 61% | 0.61 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.5 | 26.4 | -176.3 | -23.6 | -73.9 | 0 | 0 | 0 | 115.4 | R601 A824 A825 | R601-D828 IonicContact CZ-OD2 3.44Å; R601-D828 VanDerWaalsContact NH2-CB 3.35Å; R601-D828 IonicContact NH2-OD2 3.74Å; R601-D828 PolarHBondContact NH2-OD2 3.45Å; A824-D828 PolarHBondContact O-N 3.4Å; A825-D828 PolarHBondContact O-N 3.15Å; A825-D828 VanDerWaalsContact O-N 3.12Å |
| 829 | L | 88.4 | Confident | 70.3 | Confident | 46 Ų | 46 | 74.9 Ų | 74.9 | 24% | 0.241 | 43% | 0.425 | C | S | . | . | trans | -74.3 | 144.1 | 178 | -68 | 176.7 | 0 | 0 | 0 | 109.6 | R601 Y604 A824 L827 I831 | R601-L829 HydrophobicContact CG-CD2 4.01Å; R601-L829 HydrophobicContact CG-CG 4.39Å; Y604-L829 HydrophobicContact CD1-CD1 3.43Å; Y604-L829 VanDerWaalsContact CD1-CD1 3.43Å; Y604-L829 HydrophobicContact CE1-CD1 3.6Å; Y604-L829 HydrophobicContact CG-CD1 3.95Å; A824-L829 HydrophobicContact CB-CB 4.25Å; A824-L829 WeakPolarHBondContact O-CB 3.17Å; A824-L829 PolarHBondContact O-N 3.19Å; L827-L829 HydrophobicContact CB-CD1 4.37Å; L827-L829 HydrophobicContact CB-CG 4.18Å; L827-L829 PolarHBondContact O-N 3.47Å; L829-I831 PolarHBondContact O-N 3.18Å | ||
| 830 | P | 75.6 | Confident | 67.3 | Low | 118 Ų | 118 | 85.5 Ų | 85.5 | 77% | 0.766 | 47% | 0.471 | S | S | * | . | trans | -61.9 | 106.7 | -179.2 | 24.9 | -33.9 | 0 | 0 | 0 | 110.4 | Q832 | P830-Q832 PolarHBondContact O-N 2.96Š| ||
| 831 | I | 69 | Low | 64.3 | Low | 100 Ų | 100 | 88.3 Ų | 88.3 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | trans | -64.3 | 103 | 179.1 | -52.2 | 174 | 0 | 0 | 0 | 107.8 | A825 L829 P833 | A825-I831 HydrophobicContact CB-CD1 3.86Å; A825-I831 HydrophobicContact CB-CG1 4.46Å; L829-I831 PolarHBondContact O-N 3.18Å; I831-P833 WeakPolarHBondContact O-CD 3.47Å; I831-P833 VanDerWaalsContact O-N 3.14Å | ||
| 832 | Q | 56.8 | Low | 61.3 | Low | 150 Ų | 150 | 95.4 Ų | 95.4 | 70% | 0.701 | 54% | 0.543 | S | S | * | . | trans | -58.7 | 120.9 | 173.8 | -73.4 | -171.7 | -4.5 | 0 | 0 | 108.8 | P830 | P830-Q832 PolarHBondContact O-N 2.96Š| ||
| 833 | P | 49.3 | Very low | 58.3 | Low | 113 Ų | 113 | 94.9 Ų | 94.9 | 73% | 0.734 | 56% | 0.563 | S | S | * | * | trans | -60.2 | 149.1 | 174.4 | 26.5 | -33.7 | 0 | 0 | 0 | 109 | I831 T835 | I831-P833 WeakPolarHBondContact O-CD 3.47Å; I831-P833 VanDerWaalsContact O-N 3.14Å; P833-T835 PolarHBondContact O-N 3.36Å | ||
| 834 | T | 43 | Very low | 55.3 | Low | 95 Ų | 95 | 100.4 Ų | 100.4 | 58% | 0.583 | 60% | 0.602 | S | S | * | * | trans | -66.9 | 92.9 | -167.7 | 47.9 | 0 | 0 | 0 | 0 | 112.5 | E836 | T834-E836 PolarHBondContact O-N 2.82Å; T834-E836 VanDerWaalsContact O-N 3.12Å | ||
| 835 | T | 37.4 | Very low | 52.2 | Low | 108 Ų | 108 | 104.4 Ų | 104.4 | 66% | 0.663 | 63% | 0.629 | S | S | * | * | trans | -61.1 | 113.1 | 155.4 | -43.4 | 0 | 0 | 0 | 0 | 107.3 | P833 | P833-T835 PolarHBondContact O-N 3.36Š| ||
| 836 | E | 38.8 | Very low | 49.2 | Very low | 163 Ų | 163 | 109 Ų | 109 | 76% | 0.762 | 65% | 0.654 | S | S | * | * | trans | -62.3 | 145.8 | 173.6 | -61.2 | -172.3 | 136.3 | 0 | 0 | 109.9 | T834 L838 | T834-E836 PolarHBondContact O-N 2.82Å; T834-E836 VanDerWaalsContact O-N 3.12Å; E836-L838 PolarHBondContact O-N 3.23Å; E836-L838 VanDerWaalsContact O-N 3.13Å | ||
| 837 | V | 32.7 | Very low | 46.1 | Very low | 129 Ų | 129 | 113.3 Ų | 113.3 | 78% | 0.782 | 68% | 0.684 | S | S | * | * | trans | -70.5 | 111.9 | 174.6 | 179 | 0 | 0 | 0 | 0 | 107.6 | G839 | V837-G839 PolarHBondContact O-N 3.21Š| ||
| 838 | L | 36.1 | Very low | 43 | Very low | 182 Ų | 182 | 119.3 Ų | 119.3 | 95% | 0.953 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -54.6 | 100.1 | -178.1 | -88.2 | 163.5 | 0 | 0 | 0 | 111.8 | E836 | E836-L838 PolarHBondContact O-N 3.23Å; E836-L838 VanDerWaalsContact O-N 3.13Å |
| 839 | G | 31.9 | Very low | 40.1 | Very low | 56 Ų | 56 | 122.6 Ų | 122.6 | 58% | 0.577 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 179.4 | 82.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | V837 | V837-G839 PolarHBondContact O-N 3.21Š|
| 840 | F | 28.4 | Very low | 37.2 | Very low | 225 Ų | 225 | 128.2 Ų | 128.2 | 99% | 0.987 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 68.5 | 128.4 | 179.2 | -60.9 | -95 | 0 | 0 | 0 | 116.8 | ||
| 841 | G | 27.9 | Very low | 35 | Very low | 76 Ų | 76 | 129.5 Ų | 129.5 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | 133.5 | 38.3 | 151.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | G843 | G841-G843 PolarHBondContact O-N 3.23Š| ||
| 842 | L | 28.1 | Very low | 33.3 | Very low | 191 Ų | 191 | 129.8 Ų | 129.8 | 100% | 1 | 77% | 0.765 | S | S | * | * | trans | 3.9 | 105.6 | 159.6 | -76.2 | 148.8 | 0 | 0 | 0 | 118.6 | ||||
| 843 | G | 27.6 | Very low | 31.9 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -179.2 | 140.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G841 | G841-G843 PolarHBondContact O-N 3.23Š| ||
| 844 | S | 30.7 | Very low | 31 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -111.6 | 152.1 | -167 | -151.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 845 | S | 27.6 | Very low | 30.4 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | -21.9 | 153.2 | 159.8 | 55.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 846 | T | 28.2 | Very low | 30 | Very low | 137 Ų | 137 | 145.8 Ų | 145.8 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | cis | -171.2 | 166 | -0 | 22.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 847 | S | 28.1 | Very low | 29.5 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | cis | -161 | 145 | 27.7 | 50.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 848 | T | 27.8 | Very low | 29.1 | Very low | 126 Ų | 126 | 146.3 Ų | 146.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 42.5 | 125.3 | 146 | 54.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 849 | Q | 28.7 | Very low | 28.5 | Very low | 183 Ų | 183 | 141.2 Ų | 141.2 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | 101.2 | 137.4 | 146.2 | -73.1 | -176.6 | 3.6 | 0 | 0 | 121.4 | ||||
| 850 | H | 27.3 | Very low | 28.3 | Very low | 163 Ų | 163 | 149.2 Ų | 149.2 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 71.7 | 110.8 | 173.9 | -91.1 | -90.1 | 0 | 0 | 0 | 121.7 | ||||
| 851 | L | 29.4 | Very low | 28.3 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | 27.7 | 130.7 | 148.1 | -58 | 174.4 | 0 | 0 | 0 | 120.6 | ||||
| 852 | P | 32.6 | Very low | 28.1 | Very low | 106 Ų | 106 | 150 Ų | 150 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -69.8 | 157.8 | 170.2 | 31.4 | -34.6 | 0 | 0 | 0 | 113 | ||
| 853 | F | 28.8 | Very low | 28 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 56% | 0.557 | 78% | 0.782 | S | S | * | * | trans | 89.6 | 69.9 | 174.5 | -52.8 | -61.2 | 0 | 0 | 0 | 119.4 | D704 | D704-F853 HydrophobicContact CB-CD1 4.03Å; D704-F853 HydrophobicContact CB-CE1 3.5Å; D704-F853 HydrophobicContact CB-CZ 4.03Å | ||
| 854 | R | 29.6 | Very low | 27.9 | Very low | 255 Ų | 255 | 147.6 Ų | 147.6 | 96% | 0.962 | 78% | 0.78 | S | S | * | * | -176.6 | 159.7 | 125.2 | -100.8 | 168 | -172.6 | -158.6 | 2.9 | 112.1 | |||||
| 855 | F | 31.8 | Very low | 27.8 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -126.2 | 145.9 | -178.6 | -99.7 | -86.4 | 0 | 0 | 0 | 112.1 | ||||
| 856 | Y | 28.1 | Very low | 28.6 | Very low | 235 Ų | 235 | 149.6 Ų | 149.6 | 92% | 0.922 | 78% | 0.78 | S | S | * | * | trans | -155.8 | 176.5 | 131.5 | -122.6 | -85.8 | 0 | 0 | 0 | 109.7 | ||||
| 857 | D | 27.2 | Very low | 28.5 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | trans | -123.2 | 171 | -142.6 | 178 | 41.7 | 0 | 0 | 0 | 116.3 | ||||
| 858 | Q | 25.6 | Very low | 28.7 | Very low | 175 Ų | 175 | 150.8 Ų | 150.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 115.3 | 119.8 | 150.4 | -60.8 | -175.4 | 6.8 | 0 | 0 | 119.2 | ||||
| 859 | G | 24.1 | Very low | 28.7 | Very low | 74 Ų | 74 | 153.6 Ų | 153.6 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 147.9 | 76.1 | 137.1 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 860 | R | 26.9 | Very low | 28.6 | Very low | 225 Ų | 225 | 155.8 Ų | 155.8 | 85% | 0.849 | 79% | 0.787 | S | S | * | * | trans | 64.2 | 117 | 145.5 | -71 | -175.9 | 166.1 | -160.4 | -0.6 | 124.1 | ||||
| 861 | R | 27.7 | Very low | 28.6 | Very low | 236 Ų | 236 | 153.3 Ų | 153.3 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | 61.3 | 111.6 | 126.4 | -63.4 | -174.7 | 175 | -168 | -2.4 | 123 | |||||
| 862 | G | 24.7 | Very low | 28.5 | Very low | 80 Ų | 80 | 151.7 Ų | 151.7 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 135.8 | 159.3 | 142.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 863 | S | 25.5 | Very low | 28.2 | Very low | 111 Ų | 111 | 155.6 Ų | 155.6 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | cis | -164 | 138.9 | -22.5 | -165.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 864 | S | 25.8 | Very low | 28.2 | Very low | 103 Ų | 103 | 153.9 Ų | 153.9 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | 40.2 | 96.9 | 148.8 | 60.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 865 | D | 27.6 | Very low | 28.2 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | 67 | 169.7 | 109.5 | -124.5 | 30.6 | 0 | 0 | 0 | 122 | |||||
| 866 | P | 44.1 | Very low | 28.1 | Very low | 94 Ų | 94 | 144.2 Ų | 144.2 | 61% | 0.61 | 79% | 0.788 | S | S | * | * | -141 | 179.3 | -99.8 | 45 | -27 | 0 | 0 | 0 | 117.3 | |||||
| 867 | T | 27.7 | Very low | 27.9 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -160.6 | 120.1 | 149.7 | 24.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 868 | V | 31.3 | Very low | 28.1 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | 35.8 | 126.3 | 124.5 | -175.1 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 869 | Q | 28.6 | Very low | 28.3 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | -178.3 | 168.4 | 59.5 | -137.9 | 157 | 47.2 | 0 | 0 | 108.8 | |||||
| 870 | R | 25.7 | Very low | 28.6 | Very low | 230 Ų | 230 | 144 Ų | 144 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | cis | 174.7 | 105.6 | -49.6 | 176 | 179.9 | -177.2 | 162.9 | 5.7 | 108.4 | ||||
| 871 | S | 27 | Very low | 28.6 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -169.7 | 151.1 | 159.3 | -146.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 872 | V | 27.8 | Very low | 28.7 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 67% | 0.673 | 79% | 0.793 | S | S | * | * | cis | 90.3 | 131.4 | 5.6 | -174.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 873 | F | 27.5 | Very low | 28.9 | Very low | 189 Ų | 189 | 136.7 Ų | 136.7 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | cis | -173.9 | 136.8 | -37.4 | -128.5 | -68.8 | 0 | 0 | 0 | 111.8 | ||||
| 874 | A | 28.5 | Very low | 28.9 | Very low | 90 Ų | 90 | 138.2 Ų | 138.2 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | 167.6 | 137.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 875 | S | 27.9 | Very low | 29.1 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | cis | 87 | 129.8 | 31 | -54.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 876 | V | 29.9 | Very low | 29 | Very low | 134 Ų | 134 | 139 Ų | 139 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | cis | -147.1 | 163 | 15.9 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 877 | D | 25.4 | Very low | 28.1 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -55.5 | 163.9 | 174.3 | -47.3 | -106.5 | 0 | 0 | 0 | 118.5 | ||||
| 878 | K | 31.2 | Very low | 27.9 | Very low | 209 Ų | 209 | 141.6 Ų | 141.6 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -161.7 | 155.2 | 130.9 | -113.9 | 167.6 | -172.8 | 177.2 | 0 | 114.9 | ||||
| 879 | V | 29.3 | Very low | 27.7 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | trans | -105.7 | 141.4 | -174.7 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 880 | P | 30.3 | Very low | 27.6 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | trans | -93.8 | 144.6 | 160.8 | -0.6 | 21.1 | 0 | 0 | 0 | 112.2 | ||||
| 881 | G | 27.5 | Very low | 27.6 | Very low | 75 Ų | 75 | 140.1 Ų | 140.1 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -113.5 | 179.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 882 | F | 29.6 | Very low | 27.5 | Very low | 223 Ų | 223 | 140.7 Ų | 140.7 | 98% | 0.978 | 81% | 0.809 | S | S | * | * | trans | -67.9 | 140.5 | 174.7 | -92.3 | -110.3 | 0 | 0 | 0 | 113 | ||||
| 883 | A | 28.1 | Very low | 27.5 | Very low | 89 Ų | 89 | 140.7 Ų | 140.7 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | -174.1 | 128.5 | 130.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 884 | V | 25.7 | Very low | 27.9 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | 40.1 | 132.6 | 135.4 | -172.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 885 | A | 30.1 | Very low | 27.8 | Very low | 90 Ų | 90 | 137.6 Ų | 137.6 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | trans | -80.9 | 154 | 175 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 886 | Q | 24.8 | Very low | 27.7 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -139 | 135.9 | 156.1 | -88.7 | -171.9 | -16.1 | 0 | 0 | 110.6 | ||||
| 887 | C | 26.1 | Very low | 27.6 | Very low | 124 Ų | 124 | 139 Ų | 139 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -96.2 | 145.5 | 169.2 | -54.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 888 | I | 24.6 | Very low | 27.6 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -151.6 | 138.1 | 159.6 | -105.8 | 154.4 | 0 | 0 | 0 | 109.3 | ||||
| 889 | N | 25.5 | Very low | 27.5 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -78.3 | 149.9 | 173.1 | -81.1 | -37.5 | 0 | 0 | 0 | 111.3 | ||||
| 890 | Q | 26.9 | Very low | 27.3 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | -169.6 | 161.1 | 117.4 | -105.7 | 153.8 | 104.3 | 0 | 0 | 115.5 | |||||
| 891 | H | 25.4 | Very low | 28.8 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | -63.4 | 148.9 | -177.2 | -53.6 | -101.1 | 0 | 0 | 0 | 113.9 | ||||
| 892 | S | 25.9 | Very low | 29.6 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | -178.5 | 155.6 | 112.3 | 42.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 893 | S | 26.5 | Very low | 29.7 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -145.6 | 141.2 | 166.8 | 59.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 894 | P | 36.7 | Very low | 29.9 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -142.1 | 113.2 | 136.7 | 31.7 | -14.5 | 0 | 0 | 0 | 113.9 | ||||
| 895 | S | 25.7 | Very low | 30.2 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | 38 | 140.5 | 125.7 | 68.7 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 896 | L | 26.8 | Very low | 30.1 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | 81.4 | 148.6 | 160 | -57.1 | 163.5 | 0 | 0 | 0 | 116.1 | ||||
| 897 | S | 27.1 | Very low | 30.4 | Very low | 97 Ų | 97 | 126.5 Ų | 126.5 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | cis | -145.3 | 136.5 | 14.3 | 60 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 898 | S | 26.1 | Very low | 31.9 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | 23.7 | 137.9 | 142.5 | 63.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 899 | Q | 27.8 | Very low | 32.2 | Very low | 185 Ų | 185 | 124.9 Ų | 124.9 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | -170.2 | 149.3 | 106.4 | -103.2 | 175.4 | 41.3 | 0 | 0 | 114.1 | |||||
| 900 | S | 26.9 | Very low | 32.6 | Very low | 115 Ų | 115 | 121 Ų | 121 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -171.9 | 174.3 | 175.1 | -64.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 901 | P | 60.8 | Low | 32.8 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | -105.8 | -167.6 | -68.9 | 39.4 | -27.1 | 0 | 0 | 0 | 110.9 | |||||
| 902 | P | 45.1 | Very low | 32.9 | Very low | 126 Ų | 126 | 113.4 Ų | 113.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | -150.7 | -172.2 | 106.5 | 36.2 | -18.1 | 0 | 0 | 0 | 114.4 | |||||
| 903 | S | 31.1 | Very low | 33.1 | Very low | 102 Ų | 102 | 113.3 Ų | 113.3 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | cis | 178.1 | 167.5 | -49.2 | -81.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 904 | A | 33 | Very low | 33.2 | Very low | 100 Ų | 100 | 114.5 Ų | 114.5 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | 73.7 | 149.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 905 | S | 31 | Very low | 33 | Very low | 122 Ų | 122 | 114.1 Ų | 114.1 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | cis | -163.9 | 160.2 | -5.1 | 38.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 906 | G | 27.4 | Very low | 33.2 | Very low | 75 Ų | 75 | 117.2 Ų | 117.2 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | 172.5 | 170.2 | 0.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 907 | S | 32.5 | Very low | 33.3 | Very low | 120 Ų | 120 | 114 Ų | 114 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -90.8 | -176 | 177.5 | -39.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 908 | P | 57.6 | Low | 33.3 | Very low | 121 Ų | 121 | 115.8 Ų | 115.8 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | -158.7 | 170.8 | 68.9 | 42.2 | -21.2 | 0 | 0 | 0 | 119.6 | |||||
| 909 | S | 31.3 | Very low | 33.6 | Very low | 127 Ų | 127 | 116.4 Ų | 116.4 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | 146.2 | 156.7 | 145.9 | -68.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 910 | G | 32.8 | Very low | 33.7 | Very low | 64 Ų | 64 | 111.6 Ų | 111.6 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | cis | 162.6 | 126.8 | -14.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 911 | S | 31.7 | Very low | 33.9 | Very low | 137 Ų | 137 | 109.6 Ų | 109.6 | 96% | 0.958 | 79% | 0.786 | S | S | * | * | trans | 65.8 | 148.1 | 171.3 | 70.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 912 | G | 27.6 | Very low | 32.6 | Very low | 66 Ų | 66 | 110.5 Ų | 110.5 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | cis | 172.1 | 151 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 913 | S | 30.2 | Very low | 32.1 | Very low | 119 Ų | 119 | 109.7 Ų | 109.7 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | 19.4 | 140.5 | 154.8 | 61.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 914 | T | 29 | Very low | 32.1 | Very low | 135 Ų | 135 | 110.7 Ų | 110.7 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | cis | -136.5 | -153.4 | 16 | 53.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 915 | S | 32 | Very low | 32 | Very low | 109 Ų | 109 | 111.2 Ų | 111.2 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | cis | -156.8 | -179.6 | 3.7 | 40.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 916 | H | 29.4 | Very low | 31.9 | Very low | 163 Ų | 163 | 111 Ų | 111 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | cis | 141.9 | 131.4 | -11.6 | -161.8 | -68.3 | 0 | 0 | 0 | 108.5 | ||||
| 917 | C | 28.9 | Very low | 32.2 | Very low | 102 Ų | 102 | 113.7 Ų | 113.7 | 69% | 0.689 | 79% | 0.791 | S | S | * | * | trans | 57 | 144.4 | 170.4 | 52.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 918 | D | 26.5 | Very low | 32.6 | Very low | 135 Ų | 135 | 114 Ų | 114 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | cis | -158.5 | 168.8 | -8.7 | -127.7 | -63.6 | 0 | 0 | 0 | 115.7 | ||||
| 919 | S | 33.8 | Very low | 31.2 | Very low | 113 Ų | 113 | 113.5 Ų | 113.5 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -4.2 | 156 | 157.6 | -58.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 920 | G | 30.1 | Very low | 31.2 | Very low | 84 Ų | 84 | 114.2 Ų | 114.2 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | cis | 162.7 | 174.6 | 5.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 921 | G | 30.3 | Very low | 31.1 | Very low | 73 Ų | 73 | 115.2 Ų | 115.2 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | cis | -155.5 | -153.9 | -4.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 922 | T | 32.6 | Very low | 30.8 | Very low | 127 Ų | 127 | 118.1 Ų | 118.1 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | cis | -159.1 | 157.9 | 8 | 49.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 923 | S | 35 | Very low | 31 | Very low | 110 Ų | 110 | 120.1 Ų | 120.1 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 62.8 | 147.3 | 156.5 | 48.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 924 | S | 30.7 | Very low | 31.6 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | cis | -157.1 | 165.5 | -4.5 | 37.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 925 | S | 31 | Very low | 31.6 | Very low | 111 Ų | 111 | 118.8 Ų | 118.8 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -94.5 | 156.9 | -173.1 | 51.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 926 | S | 28.6 | Very low | 31.3 | Very low | 118 Ų | 118 | 121.7 Ų | 121.7 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | 162.1 | 154.1 | 114.2 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 927 | T | 33.7 | Very low | 31.3 | Very low | 130 Ų | 130 | 118 Ų | 118 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -117.7 | 163.9 | 168.3 | 61 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 928 | P | 40.8 | Very low | 32.1 | Very low | 127 Ų | 127 | 118.4 Ų | 118.4 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | -150.5 | -177.5 | 85.2 | 39.8 | -20.8 | 0 | 0 | 0 | 115.4 | |||||
| 929 | S | 30.3 | Very low | 32.1 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -126.5 | 140 | -179.9 | -41.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 930 | T | 29.5 | Very low | 31.8 | Very low | 141 Ų | 141 | 120.7 Ų | 120.7 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -176.9 | 137.1 | 150.8 | 27.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 931 | A | 30.6 | Very low | 32.4 | Very low | 86 Ų | 86 | 122 Ų | 122 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | 90.2 | 104.9 | 35.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 932 | Q | 26.3 | Very low | 32.1 | Very low | 197 Ų | 197 | 127.1 Ų | 127.1 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -170.7 | 147.3 | 153.1 | -110.6 | 165.6 | 32.2 | 0 | 0 | 112.9 | ||||
| 933 | S | 30.8 | Very low | 31.9 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -114.7 | 162.6 | 157.6 | -52.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 934 | P | 42.7 | Very low | 32.2 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | -144.4 | -171.8 | 107.6 | 37.3 | -21.3 | 0 | 0 | 0 | 113.5 | |||||
| 935 | A | 29.6 | Very low | 32.2 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -112.2 | 168.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 936 | D | 25.8 | Very low | 32.7 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | -163.5 | 169 | 126.7 | -123.4 | -35.5 | 0 | 0 | 0 | 113.3 | |||||
| 937 | A | 30.7 | Very low | 32.5 | Very low | 85 Ų | 85 | 134.6 Ų | 134.6 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | -106.9 | -162.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 938 | P | 45.2 | Very low | 32.3 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -144.5 | -162.4 | 17.5 | 36 | -9.6 | 0 | 0 | 0 | 116.8 | ||||
| 939 | M | 26.3 | Very low | 32.1 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 84% | 0.837 | 79% | 0.793 | S | S | * | * | trans | 101.7 | 112.2 | 158 | -54.7 | -55.9 | -74.6 | 0 | 0 | 120.4 | ||||
| 940 | T | 27.3 | Very low | 31.9 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | -88 | 168.1 | 154.3 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 941 | P | 43.7 | Very low | 31.7 | Very low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | -136 | -166.1 | 55.6 | 42.6 | -22.1 | 0 | 0 | 0 | 112.8 | |||||
| 942 | E | 23.5 | Very low | 31.5 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | cis | -154.1 | 178.1 | 10.2 | -152.4 | 157.6 | -161.1 | 0 | 0 | 112.4 | ||||
| 943 | L | 28.5 | Very low | 31.4 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | trans | -101.2 | -173.1 | 170.5 | -117.2 | 85.9 | 0 | 0 | 0 | 110 | ||||
| 944 | P | 41.7 | Very low | 31.1 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | cis | -137.7 | -175.5 | 9.2 | 37.6 | -15.1 | 0 | 0 | 0 | 117.9 | ||||
| 945 | K | 30.3 | Very low | 30.3 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 81% | 0.809 | 78% | 0.783 | S | S | * | * | trans | -49.7 | 170.9 | 157.8 | -80.3 | 178.3 | 179.8 | 179.5 | 0 | 113.7 | ||||
| 946 | P | 41.5 | Very low | 30.1 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | -167.1 | -176.5 | 50.5 | 48.5 | -25.3 | 0 | 0 | 0 | 123.7 | |||||
| 947 | H | 23.9 | Very low | 30.1 | Very low | 185 Ų | 185 | 141.2 Ų | 141.2 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | 85.6 | 145.3 | 144.5 | -81.5 | -60.3 | 0 | 0 | 0 | 124.7 | ||||
| 948 | L | 28.5 | Very low | 29.9 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | -87.7 | 179.8 | 169.7 | -67.4 | 153.6 | 0 | 0 | 0 | 110.6 | ||||
| 949 | P | 37.8 | Very low | 29 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | -144 | 166.6 | 95.5 | 40.3 | -27.4 | 0 | 0 | 0 | 116.1 | |||||
| 950 | D | 25.3 | Very low | 29.1 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -72.3 | 170.8 | 164.1 | -49.5 | -89.7 | 0 | 0 | 0 | 112.7 | ||||
| 951 | Q | 25.8 | Very low | 29 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | 176.2 | 173.2 | 101 | -159.4 | 147.9 | 50.6 | 0 | 0 | 113.2 | |||||
| 952 | L | 26.1 | Very low | 28.1 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | trans | -99.6 | -173 | -165.5 | -66.8 | 146.9 | 0 | 0 | 0 | 114.3 | ||||
| 953 | V | 24.1 | Very low | 28.3 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 119 | 105.5 | 161.9 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 954 | I | 25.6 | Very low | 28.8 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | 88.7 | 150.4 | 54.3 | -65 | 164.4 | 0 | 0 | 0 | 112.6 | |||||
| 955 | V | 24.4 | Very low | 28 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | 99.1 | 104.7 | -176.6 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 956 | N | 25.6 | Very low | 28 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | cis | 72.4 | 139.4 | 43.2 | -125 | 56.2 | 0 | 0 | 0 | 111 | ||||
| 957 | E | 25.8 | Very low | 27.2 | Very low | 148 Ų | 148 | 142 Ų | 142 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | cis | -154.9 | 177.1 | 20.1 | -28 | -161.8 | 94.6 | 0 | 0 | 112.4 | ||||
| 958 | T | 27.3 | Very low | 27.3 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | trans | 62.7 | 152 | 148 | 57 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 959 | E | 26.1 | Very low | 27.1 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | cis | -155.1 | 171.3 | -7.1 | -126.7 | 174.7 | 180 | 0 | 0 | 113.2 | ||||
| 960 | A | 28.3 | Very low | 26.6 | Very low | 84 Ų | 84 | 143.5 Ų | 143.5 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | trans | -6.8 | 169.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 961 | D | 24.8 | Very low | 26.6 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | cis | -161.9 | 179.8 | 5.1 | -149.7 | -14.8 | 0 | 0 | 0 | 113.2 | ||||
| 962 | S | 26.1 | Very low | 26.6 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | 89.9 | 101.1 | 142.5 | 73 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 963 | K | 27.4 | Very low | 26.6 | Very low | 194 Ų | 194 | 134.5 Ų | 134.5 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -56.7 | 162.7 | 139.4 | -84.8 | 171.9 | -178.6 | 168.7 | 0 | 110.2 | ||||
| 964 | P | 39.4 | Very low | 26.8 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | -160.6 | 148.9 | 54.4 | 42.7 | -19.3 | 0 | 0 | 0 | 122.2 | |||||
| 965 | S | 24.7 | Very low | 26.8 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | 61.9 | 127.8 | 126.2 | -60.7 | 0 | 0 | 0 | 0 | 125 | |||||
| 966 | K | 29.2 | Very low | 26.8 | Very low | 183 Ų | 183 | 136.1 Ų | 136.1 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | 110.8 | 152.2 | 112.8 | -98.5 | 178 | -178.8 | -179.3 | 0 | 120.9 | |||||
| 967 | N | 25.5 | Very low | 26.7 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | 76.9 | 154.5 | 165.2 | -55.6 | -18.1 | 0 | 0 | 0 | 118 | ||||
| 968 | M | 25.5 | Very low | 26.5 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | -178.4 | 159.7 | -56.4 | -111.6 | -163.1 | 77.5 | 0 | 0 | 109.2 | |||||
| 969 | A | 24.8 | Very low | 26.4 | Very low | 88 Ų | 88 | 134.8 Ų | 134.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 69 | 161.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 970 | R | 26.8 | Very low | 26.3 | Very low | 233 Ų | 233 | 131.7 Ų | 131.7 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | cis | -173.1 | 165 | -43.5 | -141 | 178.9 | -176.8 | 179.6 | -0.2 | 107.6 | ||||
| 971 | S | 24.5 | Very low | 26.6 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 87.1 | 155.7 | 165.8 | -54 | 0 | 0 | 0 | 0 | 118 | ||||
| 972 | A | 26.6 | Very low | 26.5 | Very low | 86 Ų | 86 | 131 Ų | 131 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | cis | -177.2 | 151.4 | -31.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 973 | A | 26 | Very low | 26.4 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | 63.7 | 166.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 974 | V | 27.7 | Very low | 26.3 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | -164.8 | 152.2 | -52 | 108.9 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 975 | E | 25.5 | Very low | 25.7 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 68.1 | 162.7 | 157 | -86.2 | 174.1 | -158.4 | 0 | 0 | 125.5 | ||||
| 976 | T | 24.5 | Very low | 25.7 | Very low | 141 Ų | 141 | 131 Ų | 131 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | 82.5 | 156.6 | 167 | 69 | 0 | 0 | 0 | 0 | 119 | ||||
| 977 | A | 23.5 | Very low | 25.5 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -155.5 | 177 | -154.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 978 | S | 23 | Very low | 25.5 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | 105.7 | 145.7 | 154.6 | 81 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 979 | L | 24.5 | Very low | 25.6 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | 77.6 | 128.8 | 165.1 | -53.5 | -178.1 | 0 | 0 | 0 | 119.8 | ||||
| 980 | S | 23.5 | Very low | 25.5 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -94.6 | 172.8 | -177.6 | -35.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 981 | P | 34.5 | Very low | 25.4 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | -152.2 | 163.2 | 77.2 | 40.4 | -21.2 | 0 | 0 | 0 | 118.4 | |||||
| 982 | S | 22.9 | Very low | 25.3 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | 76.1 | 115.1 | 144.8 | -68.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 983 | L | 23.7 | Very low | 25.1 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | 96.3 | 117.7 | 122.8 | -73.4 | 172.3 | 0 | 0 | 0 | 123 | |||||
| 984 | V | 26.5 | Very low | 25 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | 67.4 | 159.8 | 154.1 | -100.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 985 | P | 26.5 | Very low | 24.8 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | -121.3 | 158.4 | -119.4 | 39.5 | -23.7 | 0 | 0 | 0 | 115.9 | |||||
| 986 | A | 24.6 | Very low | 24.7 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 153.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 987 | Q | 25.6 | Very low | 24.7 | Very low | 191 Ų | 191 | 139.3 Ų | 139.3 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 148.4 | -178.4 | -64.8 | 167.8 | -30.6 | 0 | 0 | 112.2 | ||
| 988 | Q | 25 | Very low | 24.7 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 145.7 | 167.2 | -74.5 | -178.6 | -32.1 | 0 | 0 | 111.1 | ||
| 989 | P | 28.1 | Very low | 24.7 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 141.9 | -178 | 32.2 | -34.9 | 0 | 0 | 0 | 112.8 | ||
| 990 | T | 22.9 | Very low | 24.7 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 129.2 | 171.9 | -45.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 991 | I | 24.4 | Very low | 24.7 | Very low | 143 Ų | 143 | 141 Ų | 141 | 73% | 0.733 | 82% | 0.824 | S | S | * | * | trans | -107.3 | 121.4 | 168.4 | -64.3 | 177.5 | 0 | 0 | 0 | 108.4 | ||||
| 992 | S | 21 | Very low | 24.2 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | trans | -89 | 128.8 | 172 | -55.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 993 | L | 23.8 | Very low | 24.2 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | trans | -108.8 | 117 | 170.4 | -74 | 170.9 | 0 | 0 | 0 | 109.8 | ||||
| 994 | L | 22.6 | Very low | 24.5 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 93% | 0.932 | 84% | 0.841 | S | S | * | * | trans | -88.5 | 138.9 | 156.5 | -66.2 | 168.8 | 0 | 0 | 0 | 107.1 | ||||
| 995 | C | 24.7 | Very low | 24.4 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 87% | 0.872 | 84% | 0.841 | S | S | * | * | trans | -139.1 | 143.4 | 173.2 | -156.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 996 | E | 23.8 | Very low | 24.3 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 88% | 0.879 | 84% | 0.837 | S | S | * | * | trans | -100.6 | 144.9 | -177.3 | -65.6 | -176.6 | 113.5 | 0 | 0 | 111.2 | T998 | E996-T998 PolarHBondContact O-N 3.24Š| ||
| 997 | D | 22.8 | Very low | 24.3 | Very low | 173 Ų | 173 | 149.4 Ų | 149.4 | 93% | 0.925 | 84% | 0.843 | S | S | * | * | trans | -77.4 | 106.5 | 178 | -86 | -48.4 | 0 | 0 | 0 | 111.7 | ||||
| 998 | T | 23.9 | Very low | 24.3 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | trans | -138.3 | 122.7 | 150.3 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | E996 | E996-T998 PolarHBondContact O-N 3.24Š| ||
| 999 | A | 24.1 | Very low | 24.3 | Very low | 95 Ų | 95 | 145.2 Ų | 145.2 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | trans | -122.6 | 122.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1000 | D | 22.9 | Very low | 24.2 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | trans | -154.3 | 146.4 | 162.1 | -105.9 | -40.2 | 0 | 0 | 0 | 109.9 | ||||
| 1001 | T | 25.2 | Very low | 24.4 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | 38.5 | 97.4 | 168 | 58.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1002 | L | 23.9 | Very low | 24.5 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 95% | 0.953 | 83% | 0.829 | S | S | * | * | trans | -93.1 | 113.7 | 158.9 | -73 | 174.3 | 0 | 0 | 0 | 110.4 | ||||
| 1003 | S | 21.8 | Very low | 24.7 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | -80.9 | 154.4 | 164.8 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | E1005 | S1003-E1005 PolarHBondContact O-N 3.44Š| ||
| 1004 | V | 30.9 | Very low | 24.8 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -79.2 | 114.5 | 178.3 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1005 | E | 23 | Very low | 24.9 | Very low | 174 Ų | 174 | 137 Ų | 137 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -155 | 136.3 | 161.9 | -122 | 168.5 | -158.6 | 0 | 0 | 111.7 | S1003 | S1003-E1005 PolarHBondContact O-N 3.44Š| ||
| 1006 | S | 25.8 | Very low | 25 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | 50.1 | 87 | 159.6 | -59.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1007 | L | 23.3 | Very low | 25.1 | Very low | 188 Ų | 188 | 134.9 Ų | 134.9 | 98% | 0.984 | 79% | 0.791 | S | S | * | * | trans | -119 | 50.3 | 149.3 | -83.3 | 179 | 0 | 0 | 0 | 112 | ||||
| 1008 | T | 26.4 | Very low | 25.4 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | trans | -83.1 | 124 | 166.2 | 36 | 0 | 0 | 0 | 0 | 110.4 | V1010 | T1008-V1010 PolarHBondContact O-N 2.69Å; T1008-V1010 VanDerWaalsContact O-N 3.08Å | ||
| 1009 | L | 24.7 | Very low | 25.5 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | -72 | 99.9 | 173 | -80.3 | 166.5 | 0 | 0 | 0 | 109.6 | P1011 | L1009-P1011 WeakPolarHBondContact O-CD 3.48Š| ||
| 1010 | V | 25.7 | Very low | 25.5 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | -64 | 122.3 | 171.4 | -180 | 0 | 0 | 0 | 0 | 108.8 | T1008 | T1008-V1010 PolarHBondContact O-N 2.69Å; T1008-V1010 VanDerWaalsContact O-N 3.08Å | ||
| 1011 | P | 27.8 | Very low | 25.5 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 62% | 0.623 | 79% | 0.79 | S | S | * | * | trans | -66.7 | 148.6 | 175.7 | 28.5 | -34.5 | 0 | 0 | 0 | 110.4 | L1009 V1013 | L1009-P1011 WeakPolarHBondContact O-CD 3.48Å; P1011-V1013 PolarHBondContact O-N 3.19Å; P1011-V1013 VanDerWaalsContact O-N 3.08Å | ||
| 1012 | P | 25.5 | Very low | 25.5 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -64.3 | 114.5 | -179.9 | 26.5 | -33.7 | 0 | 0 | 0 | 110.6 | D1014 | P1012-D1014 PolarHBondContact O-N 3.37Š| ||
| 1013 | V | 26.1 | Very low | 25.5 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -66.6 | 125.8 | 173.7 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | P1011 | P1011-V1013 PolarHBondContact O-N 3.19Å; P1011-V1013 VanDerWaalsContact O-N 3.08Å | ||
| 1014 | D | 25.1 | Very low | 25.7 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 56% | 0.556 | 79% | 0.792 | S | S | * | * | trans | -61.7 | 122.3 | 178.3 | -168.3 | -22.6 | 0 | 0 | 0 | 110.5 | P1012 H1016 | P1012-D1014 PolarHBondContact O-N 3.37Å; D1014-H1016 PolarHBondContact O-N 3.08Å; D1014-H1016 IonicContact OD1-CD2 2.81Å; D1014-H1016 PolarHBondContact OD1-CD2 3.48Å; D1014-H1016 PolarHBondContact OD1-N 3.28Å | ||
| 1015 | P | 25.3 | Very low | 25.5 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -61.6 | -12 | -173.2 | -26.3 | 35.8 | 0 | 0 | 0 | 116 | ||
| 1016 | H | 26 | Very low | 25.7 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -84 | -8.8 | -167.9 | -74.1 | -75 | 0 | 0 | 0 | 115.9 | D1014 L1018 | D1014-H1016 PolarHBondContact O-N 3.08Å; D1014-H1016 IonicContact OD1-CD2 2.81Å; D1014-H1016 PolarHBondContact OD1-CD2 3.48Å; D1014-H1016 PolarHBondContact OD1-N 3.28Å; H1016-L1018 PolarHBondContact O-N 3.26Å |
| 1017 | S | 27.7 | Very low | 25.6 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -84.8 | 2.3 | -178.1 | -57 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1018 | L | 27.4 | Very low | 25.7 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -110.3 | 19.9 | -170.4 | -77 | 175.7 | 0 | 0 | 0 | 116.4 | H1016 | H1016-L1018 PolarHBondContact O-N 3.26Š|
| 1019 | R | 27.1 | Very low | 25.7 | Very low | 246 Ų | 246 | 135.2 Ų | 135.2 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | trans | -141.5 | 103.4 | 166.4 | -75.2 | -164.4 | 174.1 | -166.7 | -2.3 | 113.9 | ||||
| 1020 | S | 23.4 | Very low | 26.4 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -141.9 | 152.2 | 153.3 | -169 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1021 | L | 23.7 | Very low | 26.3 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 59.8 | 79.4 | 176.3 | -54.8 | -178.9 | 0 | 0 | 0 | 117.5 | ||
| 1022 | T | 24.7 | Very low | 26.1 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 96% | 0.963 | 80% | 0.796 | S | S | * | * | -163.3 | 102.8 | 126.2 | 14.1 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1023 | G | 23.2 | Very low | 26.1 | Very low | 73 Ų | 73 | 130.5 Ų | 130.5 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -165.1 | 93 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P1025 | G1023-P1025 WeakPolarHBondContact O-CD 3.44Š| ||
| 1024 | I | 27.1 | Very low | 25.9 | Very low | 167 Ų | 167 | 130.7 Ų | 130.7 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 120.8 | 175.6 | -59.4 | 170.6 | 0 | 0 | 0 | 108 | ||
| 1025 | P | 25.5 | Very low | 26 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 68% | 0.682 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 137.7 | 172.5 | 30.3 | -33.2 | 0 | 0 | 0 | 110.3 | G1023 | G1023-P1025 WeakPolarHBondContact O-CD 3.44Š|
| 1026 | P | 27.9 | Very low | 26 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 143.3 | 176.9 | 30 | -34.3 | 0 | 0 | 0 | 111.7 | ||
| 1027 | L | 23.8 | Very low | 26.7 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 138.8 | 171.4 | -112.4 | 71.7 | 0 | 0 | 0 | 111.4 | ||
| 1028 | S | 24.7 | Very low | 26.7 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | -136.8 | 125.2 | 165.8 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1029 | T | 26.7 | Very low | 26.7 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -92.2 | 160.8 | -176.9 | 31.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1030 | P | 39.9 | Very low | 26.8 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -99.5 | 141.6 | -159.5 | 36.6 | -35.3 | 0 | 0 | 0 | 116.2 | ||||
| 1031 | A | 23.6 | Very low | 27 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -176.6 | 162.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1032 | A | 23.7 | Very low | 27.2 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | cis | -171.8 | 167.2 | -32.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1033 | A | 25.1 | Very low | 27.4 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 66 | 92.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1034 | C | 22.6 | Very low | 27.6 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | 26.4 | 131.5 | 126.4 | -47.1 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1035 | T | 26.8 | Very low | 27.7 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 92% | 0.92 | 81% | 0.805 | S | S | * | * | -150.1 | 127.5 | 127.8 | -23.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1036 | E | 26 | Very low | 27.8 | Very low | 174 Ų | 174 | 128.6 Ų | 128.6 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | -90.7 | -172.4 | 166.8 | -116.4 | -167.4 | -142.3 | 0 | 0 | 109.4 | ||||
| 1037 | P | 40.8 | Very low | 28.6 | Very low | 93 Ų | 93 | 127.7 Ų | 127.7 | 60% | 0.604 | 81% | 0.808 | S | S | * | * | cis | -138.4 | -172 | 10.7 | 23.6 | 4.2 | 0 | 0 | 0 | 116.7 | ||||
| 1038 | L | 26.9 | Very low | 28.9 | Very low | 168 Ų | 168 | 126.9 Ų | 126.9 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | 81.5 | 127.8 | 163.4 | -65.6 | 117.3 | 0 | 0 | 0 | 118.8 | ||||
| 1039 | G | 26.7 | Very low | 29.3 | Very low | 66 Ų | 66 | 124.4 Ų | 124.4 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | cis | 160.8 | 169.9 | -11.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1040 | K | 29.5 | Very low | 30.6 | Very low | 185 Ų | 185 | 124.3 Ų | 124.3 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 67 | 150.8 | 177.5 | -70.4 | 170.4 | 164.9 | -101.5 | 0 | 115.1 | ||||
| 1041 | E | 28.2 | Very low | 30.2 | Very low | 161 Ų | 161 | 122.6 Ų | 122.6 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | cis | -144.6 | 171.6 | -4.1 | -138.6 | 142.9 | -140.5 | 0 | 0 | 110.5 | ||||
| 1042 | A | 28.9 | Very low | 30.9 | Very low | 95 Ų | 95 | 126.4 Ų | 126.4 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -99.8 | 149.7 | -163.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1043 | A | 28.2 | Very low | 31.6 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | trans | -154.4 | 138.6 | 150.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1044 | C | 27.7 | Very low | 31.9 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 87% | 0.865 | 83% | 0.828 | S | S | * | * | trans | -114.7 | 143.1 | -178.6 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1045 | A | 28.3 | Very low | 32.4 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | trans | -176 | 109.3 | 140.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1046 | E | 28.5 | Very low | 32.7 | Very low | 185 Ų | 185 | 135 Ų | 135 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -122.8 | 175.6 | 153 | -126.4 | -169.6 | -138.7 | 0 | 0 | 105.7 | ||||
| 1047 | P | 44.5 | Very low | 33.1 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 67% | 0.669 | 82% | 0.822 | S | S | * | * | cis | -131.2 | 172.2 | -21.2 | 39.6 | -25.9 | 0 | 0 | 0 | 112.6 | ||||
| 1048 | V | 30.1 | Very low | 32.6 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 93% | 0.933 | 84% | 0.836 | S | S | * | * | trans | -152.1 | 138.8 | 149.5 | 177.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1049 | G | 32.7 | Very low | 33 | Very low | 64 Ų | 64 | 133 Ų | 133 | 66% | 0.66 | 83% | 0.833 | S | S | * | * | trans | -158.7 | -171.7 | 151.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1050 | P | 53.3 | Low | 33.4 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | cis | -117 | 177.5 | -18.7 | 41.1 | -29.1 | 0 | 0 | 0 | 112.1 | ||||
| 1051 | A | 32.3 | Very low | 33.7 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 75% | 0.752 | 85% | 0.846 | S | S | * | * | trans | -167 | 156.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1052 | E | 37.8 | Very low | 34.2 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 85% | 0.846 | 85% | 0.854 | S | S | * | * | trans | -25.4 | 142.2 | 159.9 | -60.8 | 147.1 | 163.2 | 0 | 0 | 115.1 | ||||
| 1053 | D | 38.1 | Very low | 34.7 | Very low | 239 Ų | 239 | 135.3 Ų | 135.3 | 100% | 1.278 | 86% | 0.861 | S | S | * | * | cis | -133.6 | 0 | 47.4 | -79.7 | -44.9 | 0 | 0 | 0 | 115 |
Retrieved 1,053 of 1,053 residues in 217.7 ms
(Link to these results)