| 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 | 43.2 | Very low | 51.3 | Low | 244 Ų | 244 | 168.6 Ų | 168.6 | 100% | 1.202 | 86% | 0.858 | S | S | * | * | 0 | 73.4 | 0 | -142.6 | 152.2 | -178.9 | 0 | 0 | 106.4 | |||||
| 2 | S | 46.4 | Very low | 50.9 | Low | 111 Ų | 111 | 168.8 Ų | 168.8 | 78% | 0.776 | 85% | 0.853 | S | S | * | * | 52.7 | 135.8 | 113.6 | -90.7 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 3 | T | 51.3 | Low | 50.5 | Low | 126 Ų | 126 | 165.2 Ų | 165.2 | 77% | 0.773 | 85% | 0.852 | S | S | * | * | trans | 87.8 | 125.6 | 172 | 80.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 4 | K | 59.9 | Low | 50.5 | Low | 179 Ų | 179 | 163.2 Ų | 163.2 | 78% | 0.778 | 84% | 0.837 | S | S | * | * | cis | -148.9 | 143.9 | 26.7 | -70.1 | 172.6 | -179.6 | 172 | 0 | 110.4 | E6 | K4-E6 PolarHBondContact O-N 3.32Š| ||
| 5 | N | 55.4 | Low | 50.2 | Low | 173 Ų | 173 | 158.1 Ų | 158.1 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | trans | -67.5 | 113.2 | 165.5 | -68.4 | -26.6 | 0 | 0 | 0 | 109 | ||||
| 6 | E | 58.8 | Low | 50.3 | Low | 170 Ų | 170 | 155.2 Ų | 155.2 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -139.5 | 101 | 163.1 | -80.2 | 178.6 | 125.6 | 0 | 0 | 106.5 | K4 | K4-E6 PolarHBondContact O-N 3.32Š| ||
| 7 | E | 53.7 | Low | 50.5 | Low | 193 Ų | 193 | 152.9 Ų | 152.9 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -163 | 83.9 | 148.4 | -109.2 | 169 | 179.2 | 0 | 0 | 107.5 | N9 | E7-N9 PolarHBondContact O-N 3.4Š| ||
| 8 | Q | 48.9 | Very low | 50.7 | Low | 192 Ų | 192 | 151.6 Ų | 151.6 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -59.5 | 111.7 | 152.1 | -70.9 | 172.2 | -90.6 | 0 | 0 | 107.2 | ||||
| 9 | N | 51 | Low | 50.8 | Low | 147 Ų | 147 | 146.7 Ų | 146.7 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -128.9 | 86.7 | 165 | -159.5 | 12.1 | 0 | 0 | 0 | 103.2 | E7 | E7-N9 PolarHBondContact O-N 3.4Š| ||
| 10 | E | 47.6 | Very low | 51 | Low | 167 Ų | 167 | 147.5 Ų | 147.5 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | 45.5 | 129.4 | 86.7 | -65.4 | -163.9 | 132.1 | 0 | 0 | 112.2 | |||||
| 11 | D | 47.9 | Very low | 51.2 | Low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 80.6 | 51.4 | 173.3 | -65.6 | -26.7 | 0 | 0 | 0 | 121 | ||||
| 12 | Q | 46.4 | Very low | 52 | Low | 171 Ų | 171 | 136.5 Ų | 136.5 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | trans | -113.3 | 71.8 | 136.9 | -88.5 | -172.9 | -10.2 | 0 | 0 | 110.3 | E14 | Q12-E14 PolarHBondContact O-N 2.97Š| ||
| 13 | S | 46.7 | Very low | 52.6 | Low | 121 Ų | 121 | 136.5 Ų | 136.5 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | trans | -67.4 | 62.3 | 144.3 | -152.7 | 0 | 0 | 0 | 0 | 107.6 | S15 | S13-S15 VanDerWaalsContact C-N 3.27Å; S13-S15 PolarHBondContact O-N 2.9Å | ||
| 14 | E | 50.2 | Low | 53.2 | Low | 138 Ų | 138 | 132 Ų | 132 | 65% | 0.645 | 68% | 0.679 | S | S | * | * | trans | -68.7 | 100.1 | 166 | -157.2 | 178.5 | 127.1 | 0 | 0 | 103.6 | Q12 V16 | Q12-E14 PolarHBondContact O-N 2.97Å; E14-V16 VanDerWaalsContact C-N 3.35Å; E14-V16 PolarHBondContact O-N 2.76Å | ||
| 15 | S | 45.9 | Very low | 53.4 | Low | 86 Ų | 86 | 125.6 Ų | 125.6 | 60% | 0.601 | 65% | 0.652 | S | S | * | * | trans | -35.5 | 104.8 | 166.5 | 51.6 | 0 | 0 | 0 | 0 | 107.6 | S13 V17 | S13-S15 VanDerWaalsContact C-N 3.27Å; S13-S15 PolarHBondContact O-N 2.9Å; S15-V17 PolarHBondContact O-N 2.68Å | ||
| 16 | V | 50.8 | Low | 54 | Low | 112 Ų | 112 | 121.8 Ų | 121.8 | 68% | 0.679 | 64% | 0.638 | S | S | * | * | trans | -65.9 | 86.8 | 170.2 | -178.4 | 0 | 0 | 0 | 0 | 103.5 | E14 I18 | E14-V16 VanDerWaalsContact C-N 3.35Å; E14-V16 PolarHBondContact O-N 2.76Å; V16-I18 HydrophobicContact CG1-CG1 3.71Å; V16-I18 PolarHBondContact O-N 2.78Å | ||
| 17 | V | 54 | Low | 54.4 | Low | 117 Ų | 117 | 116.7 Ų | 116.7 | 71% | 0.709 | 62% | 0.616 | S | S | * | * | trans | -67 | 82.6 | 165.2 | -179.7 | 0 | 0 | 0 | 0 | 102.9 | S15 P19 | S15-V17 PolarHBondContact O-N 2.68Å; V17-P19 WeakPolarHBondContact O-CD 3.06Å | ||
| 18 | I | 54.9 | Low | 55 | Low | 128 Ų | 128 | 107.5 Ų | 107.5 | 66% | 0.656 | 57% | 0.573 | S | S | * | * | trans | -54.6 | 108.9 | 170.3 | -60.1 | 173.7 | 0 | 0 | 0 | 103.2 | V16 H20 | V16-I18 HydrophobicContact CG1-CG1 3.71Å; V16-I18 PolarHBondContact O-N 2.78Å; I18-H20 PolarHBondContact O-N 3.04Å | ||
| 19 | P | 52.2 | Low | 56.1 | Low | 59 Ų | 59 | 103.1 Ų | 103.1 | 38% | 0.383 | 56% | 0.555 | S | S | . | * | trans | -57.4 | 126.3 | 173.7 | 24 | -29.8 | 0 | 0 | 0 | 104.7 | V17 I21 | V17-P19 WeakPolarHBondContact O-CD 3.06Å; P19-I21 HydrophobicContact CB-CG1 4.34Å; P19-I21 HydrophobicContact CG-CD1 4.19Å; P19-I21 HydrophobicContact CG-CG1 4.11Å; P19-I21 WeakPolarHBondContact O-CG1 3.33Å; P19-I21 PolarHBondContact O-N 2.89Å | ||
| 20 | H | 54.1 | Low | 57 | Low | 163 Ų | 163 | 100.8 Ų | 100.8 | 76% | 0.755 | 54% | 0.542 | S | S | * | . | trans | -64.9 | 81.9 | 175.5 | -171.9 | -63.2 | 0 | 0 | 0 | 107.2 | I18 Q22 | I18-H20 PolarHBondContact O-N 3.04Å; H20-Q22 VanDerWaalsContact C-N 3.26Å; H20-Q22 VanDerWaalsContact ND1-CG 3.33Å; H20-Q22 WeakPolarHBondContact ND1-CG 3.45Å; H20-Q22 PolarHBondContact O-N 2.66Å | ||
| 21 | I | 55.7 | Low | 57.9 | Low | 40 Ų | 40 | 92.9 Ų | 92.9 | 21% | 0.205 | 51% | 0.505 | C | S | . | . | trans | -72.6 | 94.1 | 177.1 | -61.6 | 166.2 | 0 | 0 | 0 | 104.2 | P19 D23 T49 I53 A61 | P19-I21 HydrophobicContact CB-CG1 4.34Å; P19-I21 HydrophobicContact CG-CD1 4.19Å; P19-I21 HydrophobicContact CG-CG1 4.11Å; P19-I21 WeakPolarHBondContact O-CG1 3.33Å; P19-I21 PolarHBondContact O-N 2.89Å; I21-D23 PolarHBondContact O-N 3Å; I21-D23 VanDerWaalsContact O-N 3.12Å; I21-T49 HydrophobicContact CG2-CG2 4.29Å; I21-I53 HydrophobicContact CB-CD1 4.19Å; I21-I53 HydrophobicContact CD1-CD1 3.52Å; I21-I53 HydrophobicContact CD1-CG1 3.52Å; I21-I53 HydrophobicContact CG1-CD1 4.44Å; I21-I53 HydrophobicContact CG2-CD1 3.84Å; I21-A61 HydrophobicContact CD1-CB 4.35Å | ||
| 22 | Q | 60.5 | Low | 58.8 | Low | 121 Ų | 121 | 89.6 Ų | 89.6 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | trans | -61.2 | 117.1 | 172.5 | -72.5 | -176.6 | -11.2 | 0 | 0 | 107.1 | H20 H24 | H20-Q22 VanDerWaalsContact C-N 3.26Å; H20-Q22 VanDerWaalsContact ND1-CG 3.33Å; H20-Q22 WeakPolarHBondContact ND1-CG 3.45Å; H20-Q22 PolarHBondContact O-N 2.66Å; Q22-H24 VanDerWaalsContact C-N 3.31Å; Q22-H24 PolarHBondContact O-CD2 3.23Å; Q22-H24 PolarHBondContact O-N 3.44Å | ||
| 23 | D | 58.5 | Low | 60 | Low | 110 Ų | 110 | 86.2 Ų | 86.2 | 59% | 0.588 | 48% | 0.478 | S | S | * | . | trans | -62.1 | 96 | 172.5 | -75.3 | -48.3 | 0 | 0 | 0 | 108.8 | I21 H25 | I21-D23 PolarHBondContact O-N 3Å; I21-D23 VanDerWaalsContact O-N 3.12Å; D23-H25 PolarHBondContact O-N 2.9Å; D23-H25 IonicContact OD1-CD2 3.9Å | ||
| 24 | H | 63.5 | Low | 60.9 | Low | 31 Ų | 31 | 86.8 Ų | 86.8 | 14% | 0.144 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 16.4 | 173.4 | -60.6 | -53.3 | 0 | 0 | 0 | 112.2 | Q22 C26 L27 A28 T68 | Q22-H24 VanDerWaalsContact C-N 3.31Å; Q22-H24 PolarHBondContact O-CD2 3.23Å; Q22-H24 PolarHBondContact O-N 3.44Å; H24-C26 VanDerWaalsContact C-N 3.33Å; H24-C26 PolarHBondContact O-N 3.06Å; H24-L27 HydrophobicContact CB-CB 4.41Å; H24-L27 HydrophobicContact CB-CD1 4.38Å; H24-L27 WeakPolarHBondContact O-CB 3.44Å; H24-L27 PolarHBondContact O-N 3.45Å; H24-L27 VanDerWaalsContact O-N 3.13Å; H24-A28 PolarHBondContact O-N 3.24Å; H24-T68 HydrophobicContact CB-CG2 4.39Å |
| 25 | H | 64.4 | Low | 61.9 | Low | 45 Ų | 45 | 83.3 Ų | 83.3 | 21% | 0.208 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -56.6 | -44.5 | 176.8 | -85.9 | -70.3 | 0 | 0 | 0 | 111.7 | D23 L27 A28 I29 S46 | D23-H25 PolarHBondContact O-N 2.9Å; D23-H25 IonicContact OD1-CD2 3.9Å; H25-L27 VanDerWaalsContact C-N 3.32Å; H25-L27 PolarHBondContact O-N 2.83Å; H25-A28 PolarHBondContact O-N 3.32Å; H25-I29 WeakPolarHBondContact O-CG1 3.44Å; H25-I29 PolarHBondContact O-N 3.48Å; H25-S46 PolarHBondContact CD2-OG 3.11Å; H25-S46 VanDerWaalsContact CD2-OG 3.31Å; H25-S46 PolarHBondContact CE1-OG 3.25Å; H25-S46 VanDerWaalsContact CG-OG 3.31Å; H25-S46 PolarHBondContact ND1-OG 3.26Å; H25-S46 VanDerWaalsContact ND1-OG 3.15Å; H25-S46 PolarHBondContact NE2-OG 3.01Å; H25-S46 VanDerWaalsContact NE2-OG 3.13Å |
| 26 | C | 67.6 | Low | 63.3 | Low | 94 Ų | 94 | 85.5 Ų | 85.5 | 64% | 0.635 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.6 | -39.6 | 176.3 | -66.4 | 0 | 0 | 0 | 0 | 112.2 | H24 I29 L30 | H24-C26 VanDerWaalsContact C-N 3.33Å; H24-C26 PolarHBondContact O-N 3.06Å; C26-I29 PolarHBondContact O-N 3.12Å; C26-L30 WeakPolarHBondContact O-CG 3.31Å; C26-L30 PolarHBondContact O-N 2.99Å |
| 27 | L | 67.3 | Low | 64.5 | Low | 63 Ų | 63 | 83.4 Ų | 83.4 | 33% | 0.33 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.8 | -36.5 | 177.4 | -77.6 | 165.4 | 0 | 0 | 0 | 112.1 | H24 H25 L30 A31 V72 | H24-L27 HydrophobicContact CB-CB 4.41Å; H24-L27 HydrophobicContact CB-CD1 4.38Å; H24-L27 WeakPolarHBondContact O-CB 3.44Å; H24-L27 PolarHBondContact O-N 3.45Å; H24-L27 VanDerWaalsContact O-N 3.13Å; H25-L27 VanDerWaalsContact C-N 3.32Å; H25-L27 PolarHBondContact O-N 2.83Å; L27-L30 PolarHBondContact O-N 3.23Å; L27-A31 VanDerWaalsContact O-CB 3.31Å; L27-A31 WeakPolarHBondContact O-CB 3.5Å; L27-A31 PolarHBondContact O-N 3.17Å; L27-V72 HydrophobicContact CB-CG1 4.06Å; L27-V72 HydrophobicContact CB-CG2 4.17Å; L27-V72 HydrophobicContact CD2-CG1 4.27Å |
| 28 | A | 66.2 | Low | 65.4 | Low | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | H24 H25 A31 F32 A42 | H24-A28 PolarHBondContact O-N 3.24Å; H25-A28 PolarHBondContact O-N 3.32Å; A28-A31 PolarHBondContact O-N 3.42Å; A28-F32 PolarHBondContact O-N 2.98Å; A28-A42 HydrophobicContact CB-CB 3.91Å |
| 29 | I | 72.4 | Confident | 66.3 | Low | 100 Ų | 100 | 73.6 Ų | 73.6 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 174.4 | -66.2 | 164.7 | 0 | 0 | 0 | 110.6 | H25 C26 A31 F32 C33 | H25-I29 WeakPolarHBondContact O-CG1 3.44Å; H25-I29 PolarHBondContact O-N 3.48Å; C26-I29 PolarHBondContact O-N 3.12Å; I29-A31 PolarHBondContact O-N 2.97Å; I29-F32 VanDerWaalsContact O-CB 3.28Å; I29-F32 WeakPolarHBondContact O-CB 3.41Å; I29-F32 PolarHBondContact O-N 3.34Å; I29-F32 VanDerWaalsContact O-N 3.14Å; I29-C33 PolarHBondContact O-N 3.32Å |
| 30 | L | 70 | Confident | 67.5 | Low | 98 Ų | 98 | 76.9 Ų | 76.9 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 174.3 | -75.7 | 170.6 | 0 | 0 | 0 | 111.5 | C26 L27 F32 C33 F34 | C26-L30 WeakPolarHBondContact O-CG 3.31Å; C26-L30 PolarHBondContact O-N 2.99Å; L27-L30 PolarHBondContact O-N 3.23Å; L30-F32 PolarHBondContact O-N 2.9Å; L30-C33 WeakPolarHBondContact O-CB 3.31Å; L30-C33 PolarHBondContact O-N 3.38Å; L30-F34 VanDerWaalsContact O-CD2 3.26Å; L30-F34 WeakPolarHBondContact O-CD2 3.48Å; L30-F34 PolarHBondContact O-N 3.17Å |
| 31 | A | 66.4 | Low | 68.7 | Low | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.1 | -31.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L27 A28 I29 F34 F35 V72 S75 | L27-A31 VanDerWaalsContact O-CB 3.31Å; L27-A31 WeakPolarHBondContact O-CB 3.5Å; L27-A31 PolarHBondContact O-N 3.17Å; A28-A31 PolarHBondContact O-N 3.42Å; I29-A31 PolarHBondContact O-N 2.97Å; A31-F34 PolarHBondContact O-N 3.47Å; A31-F35 CarbonylContact O-C 3.53Å; A31-F35 PolarHBondContact O-N 2.92Å; A31-V72 HydrophobicContact CB-CG2 4.35Å; A31-S75 PolarHBondContact O-OG 3.47Å; A31-S75 VanDerWaalsContact O-OG 3.11Å |
| 32 | F | 67.2 | Low | 69.7 | Low | 83 Ų | 83 | 70.8 Ų | 70.8 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.5 | -34.3 | 174.3 | -168.8 | -98.9 | 0 | 0 | 0 | 112.8 | A28 I29 L30 F36 | A28-F32 PolarHBondContact O-N 2.98Å; I29-F32 VanDerWaalsContact O-CB 3.28Å; I29-F32 WeakPolarHBondContact O-CB 3.41Å; I29-F32 PolarHBondContact O-N 3.34Å; I29-F32 VanDerWaalsContact O-N 3.14Å; L30-F32 PolarHBondContact O-N 2.9Å; F32-F36 HydrophobicContact CD1-CD2 4.46Å; F32-F36 HydrophobicContact CD2-CD2 4.2Å; F32-F36 HydrophobicContact CD2-CE2 4.47Å; F32-F36 AromaticContact CE1-CD2 3.86Å; F32-F36 HydrophobicContact CE1-CD2 3.86Å; F32-F36 AromaticContact CE1-CE2 3.75Å; F32-F36 HydrophobicContact CE1-CE2 3.75Å; F32-F36 AromaticContact CE2-CD2 3.55Å; F32-F36 HydrophobicContact CE2-CD2 3.55Å; F32-F36 HydrophobicContact CE2-CE1 4.41Å; F32-F36 AromaticContact CE2-CE2 3.43Å; F32-F36 HydrophobicContact CE2-CE2 3.43Å; F32-F36 VanDerWaalsContact CE2-CE2 3.43Å; F32-F36 HydrophobicContact CE2-CG 4.15Å; F32-F36 AromaticContact CE2-CZ 3.87Å; F32-F36 HydrophobicContact CE2-CZ 3.87Å; F32-F36 AromaticContact CZ-CD2 3.4Å; F32-F36 HydrophobicContact CZ-CD2 3.4Å; F32-F36 AromaticContact CZ-CE2 3Å; F32-F36 HydrophobicContact CZ-CE2 3Å; F32-F36 HydrophobicContact CZ-CG 4.41Å; F32-F36 AromaticContact CZ-CZ 3.73Å; F32-F36 HydrophobicContact CZ-CZ 3.73Å |
| 33 | C | 70.5 | Confident | 70.5 | Confident | 101 Ų | 101 | 70.6 Ų | 70.6 | 68% | 0.682 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69.9 | -35.4 | 173.7 | -63.2 | 0 | 0 | 0 | 0 | 113 | I29 L30 | I29-C33 PolarHBondContact O-N 3.32Å; L30-C33 WeakPolarHBondContact O-CB 3.31Å; L30-C33 PolarHBondContact O-N 3.38Å |
| 34 | F | 67.1 | Low | 71.6 | Confident | 133 Ų | 133 | 72.1 Ų | 72.1 | 58% | 0.583 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -84.6 | -38.5 | -178.5 | -75.6 | -77 | 0 | 0 | 0 | 113.7 | L30 A31 | L30-F34 VanDerWaalsContact O-CD2 3.26Å; L30-F34 WeakPolarHBondContact O-CD2 3.48Å; L30-F34 PolarHBondContact O-N 3.17Å; A31-F34 PolarHBondContact O-N 3.47Å |
| 35 | F | 70.1 | Confident | 72.3 | Confident | 65 Ų | 65 | 71.2 Ų | 71.2 | 29% | 0.285 | 35% | 0.349 | S | S | . | . | trans | -153.3 | 93.6 | -179.2 | -159.7 | -110 | 0 | 0 | 0 | 111.2 | A31 P37 L38 G39 S75 I82 | A31-F35 CarbonylContact O-C 3.53Å; A31-F35 PolarHBondContact O-N 2.92Å; F35-P37 VanDerWaalsContact C-CD 3.45Å; F35-P37 HydrophobicContact CD1-CG 3.62Å; F35-P37 HydrophobicContact CE1-CG 3.38Å; F35-P37 HydrophobicContact CG-CG 4.41Å; F35-P37 HydrophobicContact CZ-CG 3.95Å; F35-P37 VanDerWaalsContact O-N 3.16Å; F35-L38 HydrophobicContact CD1-CB 4Å; F35-L38 HydrophobicContact CD1-CD1 3.28Å; F35-L38 HydrophobicContact CD1-CG 4.2Å; F35-L38 HydrophobicContact CE1-CD1 3.28Å; F35-L38 PolarHBondContact O-N 3.4Å; F35-L38 VanDerWaalsContact O-N 3.14Å; F35-G39 PolarHBondContact O-N 3.43Å; F35-S75 WeakPolarHBondContact CB-OG 3.28Å; F35-I82 HydrophobicContact CD2-CD1 3.61Å; F35-I82 HydrophobicContact CE2-CD1 3.24Å; F35-I82 HydrophobicContact CZ-CD1 4.2Å | ||
| 36 | F | 75 | Confident | 72.9 | Confident | 132 Ų | 132 | 69.4 Ų | 69.4 | 58% | 0.579 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -42.3 | -50.7 | -173.9 | -171.5 | -87.8 | 0 | 0 | 0 | 115.4 | F32 L38 G39 Y40 | F32-F36 HydrophobicContact CD1-CD2 4.46Å; F32-F36 HydrophobicContact CD2-CD2 4.2Å; F32-F36 HydrophobicContact CD2-CE2 4.47Å; F32-F36 AromaticContact CE1-CD2 3.86Å; F32-F36 HydrophobicContact CE1-CD2 3.86Å; F32-F36 AromaticContact CE1-CE2 3.75Å; F32-F36 HydrophobicContact CE1-CE2 3.75Å; F32-F36 AromaticContact CE2-CD2 3.55Å; F32-F36 HydrophobicContact CE2-CD2 3.55Å; F32-F36 HydrophobicContact CE2-CE1 4.41Å; F32-F36 AromaticContact CE2-CE2 3.43Å; F32-F36 HydrophobicContact CE2-CE2 3.43Å; F32-F36 VanDerWaalsContact CE2-CE2 3.43Å; F32-F36 HydrophobicContact CE2-CG 4.15Å; F32-F36 AromaticContact CE2-CZ 3.87Å; F32-F36 HydrophobicContact CE2-CZ 3.87Å; F32-F36 AromaticContact CZ-CD2 3.4Å; F32-F36 HydrophobicContact CZ-CD2 3.4Å; F32-F36 AromaticContact CZ-CE2 3Å; F32-F36 HydrophobicContact CZ-CE2 3Å; F32-F36 HydrophobicContact CZ-CG 4.41Å; F32-F36 AromaticContact CZ-CZ 3.73Å; F32-F36 HydrophobicContact CZ-CZ 3.73Å; F36-L38 PolarHBondContact O-N 3.16Å; F36-G39 PolarHBondContact O-N 2.85Å; F36-Y40 WeakPolarHBondContact O-CB 3.41Å; F36-Y40 PolarHBondContact O-N 3.5Å |
| 37 | P | 76.7 | Confident | 73.5 | Confident | 68 Ų | 68 | 67 Ų | 67 | 44% | 0.442 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.9 | -37.4 | -175.1 | 27.3 | -35 | 0 | 0 | 0 | 113.1 | F35 L41 | F35-P37 VanDerWaalsContact C-CD 3.45Å; F35-P37 HydrophobicContact CD1-CG 3.62Å; F35-P37 HydrophobicContact CE1-CG 3.38Å; F35-P37 HydrophobicContact CG-CG 4.41Å; F35-P37 HydrophobicContact CZ-CG 3.95Å; F35-P37 VanDerWaalsContact O-N 3.16Å; P37-L41 PolarHBondContact O-N 3.43Å |
| 38 | L | 73 | Confident | 74.2 | Confident | 39 Ų | 39 | 68.9 Ų | 68.9 | 20% | 0.204 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -75.7 | -35.4 | 175.8 | -87.3 | 90.2 | 0 | 0 | 0 | 112 | F35 F36 Y40 L41 A42 F71 S74 | F35-L38 HydrophobicContact CD1-CB 4Å; F35-L38 HydrophobicContact CD1-CD1 3.28Å; F35-L38 HydrophobicContact CD1-CG 4.2Å; F35-L38 HydrophobicContact CE1-CD1 3.28Å; F35-L38 PolarHBondContact O-N 3.4Å; F35-L38 VanDerWaalsContact O-N 3.14Å; F36-L38 PolarHBondContact O-N 3.16Å; L38-Y40 VanDerWaalsContact C-N 3.31Å; L38-Y40 PolarHBondContact O-N 3.42Å; L38-L41 PolarHBondContact O-N 2.91Å; L38-A42 WeakPolarHBondContact O-CB 3.31Å; L38-A42 PolarHBondContact O-N 2.73Å; L38-F71 HydrophobicContact CD2-CD1 4.47Å; L38-S74 VanDerWaalsContact CD2-CB 3.5Å |
| 39 | G | 74.2 | Confident | 74.7 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F35 F36 L41 A42 Y43 | F35-G39 PolarHBondContact O-N 3.43Å; F36-G39 PolarHBondContact O-N 2.85Å; G39-L41 PolarHBondContact O-N 3.33Å; G39-A42 PolarHBondContact O-N 2.93Å; G39-Y43 WeakPolarHBondContact O-CB 3.25Å; G39-Y43 PolarHBondContact O-N 3.43Å |
| 40 | Y | 78 | Confident | 75 | Confident | 128 Ų | 128 | 71.7 Ų | 71.7 | 50% | 0.502 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 175.1 | -179.1 | -103 | 0 | 0 | 0 | 112.2 | F36 L38 Y43 R44 | F36-Y40 WeakPolarHBondContact O-CB 3.41Å; F36-Y40 PolarHBondContact O-N 3.5Å; L38-Y40 VanDerWaalsContact C-N 3.31Å; L38-Y40 PolarHBondContact O-N 3.42Å; Y40-Y43 PolarHBondContact O-N 3.18Å; Y40-R44 WeakPolarHBondContact O-CB 3.38Å; Y40-R44 PolarHBondContact O-N 2.96Å |
| 41 | L | 78.6 | Confident | 75.7 | Confident | 74 Ų | 74 | 70.1 Ų | 70.1 | 39% | 0.387 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 174.6 | -70.5 | 176.2 | 0 | 0 | 0 | 112 | P37 L38 G39 R44 S45 F71 | P37-L41 PolarHBondContact O-N 3.43Å; L38-L41 PolarHBondContact O-N 2.91Å; G39-L41 PolarHBondContact O-N 3.33Å; L41-R44 PolarHBondContact O-N 2.75Å; L41-S45 WeakPolarHBondContact O-CB 3.36Å; L41-S45 PolarHBondContact O-N 3.44Å; L41-F71 HydrophobicContact CB-CD1 4.33Å; L41-F71 HydrophobicContact CB-CE1 4.41Å; L41-F71 HydrophobicContact CD1-CD1 4.39Å; L41-F71 HydrophobicContact CD1-CE1 3.96Å |
| 42 | A | 75.8 | Confident | 76.4 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A28 L38 G39 S45 S46 T68 F71 V72 | A28-A42 HydrophobicContact CB-CB 3.91Å; L38-A42 WeakPolarHBondContact O-CB 3.31Å; L38-A42 PolarHBondContact O-N 2.73Å; G39-A42 PolarHBondContact O-N 2.93Å; A42-S45 PolarHBondContact O-N 2.75Å; A42-S46 WeakPolarHBondContact O-CB 3.48Å; A42-S46 PolarHBondContact O-N 3.13Å; A42-T68 HydrophobicContact CB-CG2 4.35Å; A42-F71 HydrophobicContact CB-CB 4.21Å; A42-V72 HydrophobicContact CB-CG2 4.08Å |
| 43 | Y | 77 | Confident | 76.9 | Confident | 118 Ų | 118 | 71.4 Ų | 71.4 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 175.8 | -179.3 | -100.8 | 0 | 0 | 0 | 111.7 | G39 Y40 S45 S46 C47 | G39-Y43 WeakPolarHBondContact O-CB 3.25Å; G39-Y43 PolarHBondContact O-N 3.43Å; Y40-Y43 PolarHBondContact O-N 3.18Å; Y43-S45 VanDerWaalsContact C-N 3.27Å; Y43-S45 PolarHBondContact O-N 3.41Å; Y43-S46 WeakPolarHBondContact O-CB 3.41Å; Y43-S46 PolarHBondContact O-N 3.31Å; Y43-S46 VanDerWaalsContact O-N 3.11Å; Y43-C47 PolarHBondContact O-N 3.06Å; Y43-C47 PolarHBondContact O-SG 3.33Å; Y43-C47 VanDerWaalsContact O-SG 3.38Å |
| 44 | R | 82.4 | Confident | 77.6 | Confident | 142 Ų | 142 | 72.7 Ų | 72.7 | 54% | 0.536 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.9 | -39.3 | 177 | -169 | -178.7 | -178.1 | -172.1 | 2.1 | 111.7 | Y40 L41 K48 | Y40-R44 WeakPolarHBondContact O-CB 3.38Å; Y40-R44 PolarHBondContact O-N 2.96Å; L41-R44 PolarHBondContact O-N 2.75Å; R44-K48 WeakPolarHBondContact O-CG 3.17Å; R44-K48 PolarHBondContact O-N 3.14Å; R44-K48 VanDerWaalsContact O-N 3.09Å |
| 45 | S | 78.2 | Confident | 78.6 | Confident | 12 Ų | 12 | 71.7 Ų | 71.7 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.1 | -37.7 | 176.1 | -166.3 | 0 | 0 | 0 | 0 | 112 | L41 A42 Y43 K48 T49 T64 T68 | L41-S45 WeakPolarHBondContact O-CB 3.36Å; L41-S45 PolarHBondContact O-N 3.44Å; A42-S45 PolarHBondContact O-N 2.75Å; Y43-S45 VanDerWaalsContact C-N 3.27Å; Y43-S45 PolarHBondContact O-N 3.41Å; S45-K48 PolarHBondContact O-N 3.4Å; S45-T49 PolarHBondContact O-N 3.16Å; S45-T49 PolarHBondContact O-OG1 3.18Å; S45-T64 WeakPolarHBondContact O-CG2 3.46Å; S45-T64 VanDerWaalsContact OG-CG2 3.31Å; S45-T64 WeakPolarHBondContact OG-CG2 3.39Å; S45-T64 PolarHBondContact OG-O 2.84Å; S45-T68 WeakPolarHBondContact CB-OG1 3.32Å; S45-T68 PolarHBondContact OG-OG1 2.91Å |
| 46 | S | 76.7 | Confident | 79.2 | Confident | 6 Ų | 6 | 76.2 Ų | 76.2 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 173.7 | -155.3 | 0 | 0 | 0 | 0 | 111.6 | H25 A42 Y43 K48 T49 R50 | H25-S46 PolarHBondContact CD2-OG 3.11Å; H25-S46 VanDerWaalsContact CD2-OG 3.31Å; H25-S46 PolarHBondContact CE1-OG 3.25Å; H25-S46 VanDerWaalsContact CG-OG 3.31Å; H25-S46 PolarHBondContact ND1-OG 3.26Å; H25-S46 VanDerWaalsContact ND1-OG 3.15Å; H25-S46 PolarHBondContact NE2-OG 3.01Å; H25-S46 VanDerWaalsContact NE2-OG 3.13Å; A42-S46 WeakPolarHBondContact O-CB 3.48Å; A42-S46 PolarHBondContact O-N 3.13Å; Y43-S46 WeakPolarHBondContact O-CB 3.41Å; Y43-S46 PolarHBondContact O-N 3.31Å; Y43-S46 VanDerWaalsContact O-N 3.11Å; S46-K48 VanDerWaalsContact C-N 3.33Å; S46-K48 PolarHBondContact O-N 3.25Å; S46-T49 WeakPolarHBondContact O-CB 3.49Å; S46-T49 PolarHBondContact O-N 2.87Å; S46-T49 VanDerWaalsContact O-N 3.14Å; S46-R50 PolarHBondContact O-N 3.09Å |
| 47 | C | 81.2 | Confident | 79.6 | Confident | 45 Ų | 45 | 73 Ų | 73 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.4 | -43 | 175.2 | -65.7 | 0 | 0 | 0 | 0 | 112 | Y43 T49 R50 T51 | Y43-C47 PolarHBondContact O-N 3.06Å; Y43-C47 PolarHBondContact O-SG 3.33Å; Y43-C47 VanDerWaalsContact O-SG 3.38Å; C47-T49 VanDerWaalsContact C-N 3.35Å; C47-T49 PolarHBondContact O-N 3.42Å; C47-R50 PolarHBondContact O-N 3.34Å; C47-T51 PolarHBondContact O-N 3.48Å; C47-T51 VanDerWaalsContact O-N 3.07Å; C47-T51 PolarHBondContact O-OG1 3.27Å |
| 48 | K | 81.6 | Confident | 79.8 | Confident | 102 Ų | 102 | 74.6 Ų | 74.6 | 44% | 0.443 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 174.7 | -76.8 | -174.1 | 176.6 | -172.6 | 0 | 112.5 | R44 S45 S46 R50 T51 Y52 T64 | R44-K48 WeakPolarHBondContact O-CG 3.17Å; R44-K48 PolarHBondContact O-N 3.14Å; R44-K48 VanDerWaalsContact O-N 3.09Å; S45-K48 PolarHBondContact O-N 3.4Å; S46-K48 VanDerWaalsContact C-N 3.33Å; S46-K48 PolarHBondContact O-N 3.25Å; K48-R50 VanDerWaalsContact C-N 3.29Å; K48-R50 PolarHBondContact O-N 3.49Å; K48-T51 WeakPolarHBondContact O-CB 3.44Å; K48-T51 PolarHBondContact O-N 2.88Å; K48-Y52 HydrophobicContact CB-CD2 4.45Å; K48-Y52 HydrophobicContact CB-CE2 4.09Å; K48-Y52 WeakPolarHBondContact O-CD2 3.19Å; K48-Y52 PolarHBondContact O-N 3.46Å; K48-T64 HydrophobicContact CB-CG2 4.19Å |
| 49 | T | 77.5 | Confident | 80.3 | Confident | 10 Ų | 10 | 79.7 Ų | 79.7 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58 | -45.7 | 177.8 | -54.8 | 0 | 0 | 0 | 0 | 110.2 | I21 S45 S46 C47 T51 Y52 I53 A61 T64 | I21-T49 HydrophobicContact CG2-CG2 4.29Å; S45-T49 PolarHBondContact O-N 3.16Å; S45-T49 PolarHBondContact O-OG1 3.18Å; S46-T49 WeakPolarHBondContact O-CB 3.49Å; S46-T49 PolarHBondContact O-N 2.87Å; S46-T49 VanDerWaalsContact O-N 3.14Å; C47-T49 VanDerWaalsContact C-N 3.35Å; C47-T49 PolarHBondContact O-N 3.42Å; T49-T51 PolarHBondContact O-N 3.07Å; T49-Y52 PolarHBondContact O-N 3.37Å; T49-Y52 VanDerWaalsContact O-N 3.17Å; T49-I53 HydrophobicContact CG2-CD1 4.29Å; T49-I53 VanDerWaalsContact O-CG1 3.31Å; T49-I53 WeakPolarHBondContact O-CG1 3.41Å; T49-I53 PolarHBondContact O-N 3.47Å; T49-A61 HydrophobicContact CG2-CB 4.21Å; T49-T64 WeakPolarHBondContact OG1-CG2 3.29Å |
| 50 | R | 77.1 | Confident | 80.6 | Confident | 148 Ų | 148 | 84.4 Ų | 84.4 | 56% | 0.558 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.8 | -43.3 | 175.7 | -172.9 | 176.6 | 159.6 | 177 | -0.1 | 112.5 | S46 C47 K48 Y52 I53 E54 | S46-R50 PolarHBondContact O-N 3.09Å; C47-R50 PolarHBondContact O-N 3.34Å; K48-R50 VanDerWaalsContact C-N 3.29Å; K48-R50 PolarHBondContact O-N 3.49Å; R50-Y52 VanDerWaalsContact C-N 3.33Å; R50-Y52 PolarHBondContact O-N 3.42Å; R50-I53 WeakPolarHBondContact O-CB 3.42Å; R50-I53 PolarHBondContact O-N 2.99Å; R50-E54 IonicContact NE-OE1 3.25Å; R50-E54 PolarHBondContact NE-OE1 3.46Å; R50-E54 IonicContact NH2-OE1 3.85Å; R50-E54 WeakPolarHBondContact O-CG 3.18Å; R50-E54 PolarHBondContact O-N 2.88Å |
| 51 | T | 84.5 | Confident | 80.6 | Confident | 65 Ų | 65 | 78.3 Ų | 78.3 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 174 | -53.6 | 0 | 0 | 0 | 0 | 112.2 | C47 K48 T49 E54 Q55 | C47-T51 PolarHBondContact O-N 3.48Å; C47-T51 VanDerWaalsContact O-N 3.07Å; C47-T51 PolarHBondContact O-OG1 3.27Å; K48-T51 WeakPolarHBondContact O-CB 3.44Å; K48-T51 PolarHBondContact O-N 2.88Å; T49-T51 PolarHBondContact O-N 3.07Å; T51-E54 PolarHBondContact O-N 3.19Å; T51-Q55 WeakPolarHBondContact O-CB 3.31Å; T51-Q55 VanDerWaalsContact O-CG 3.31Å; T51-Q55 WeakPolarHBondContact O-CG 3.34Å; T51-Q55 PolarHBondContact O-N 2.84Å |
| 52 | Y | 82.6 | Confident | 80.5 | Confident | 59 Ų | 59 | 80 Ų | 80 | 23% | 0.231 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.5 | -34.6 | 176.7 | -69.4 | -54.5 | 0 | 0 | 0 | 112.9 | K48 T49 R50 Q55 K56 E57 K60 T64 | K48-Y52 HydrophobicContact CB-CD2 4.45Å; K48-Y52 HydrophobicContact CB-CE2 4.09Å; K48-Y52 WeakPolarHBondContact O-CD2 3.19Å; K48-Y52 PolarHBondContact O-N 3.46Å; T49-Y52 PolarHBondContact O-N 3.37Å; T49-Y52 VanDerWaalsContact O-N 3.17Å; R50-Y52 VanDerWaalsContact C-N 3.33Å; R50-Y52 PolarHBondContact O-N 3.42Å; Y52-Q55 PolarHBondContact O-N 2.91Å; Y52-K56 PolarHBondContact O-N 2.95Å; Y52-E57 HydrophobicContact CD1-CB 4.32Å; Y52-E57 VanDerWaalsContact CD1-OE2 3.31Å; Y52-E57 WeakPolarHBondContact CD1-OE2 3.37Å; Y52-E57 PolarHBondContact O-N 3.24Å; Y52-K60 HydrophobicContact CD1-CB 3.82Å; Y52-K60 HydrophobicContact CD1-CD 4.16Å; Y52-K60 HydrophobicContact CD2-CB 4.23Å; Y52-K60 HydrophobicContact CE1-CB 4.06Å; Y52-K60 HydrophobicContact CE1-CD 3.82Å; Y52-K60 HydrophobicContact CE2-CB 4.45Å; Y52-K60 HydrophobicContact CG-CB 3.93Å; Y52-T64 WeakPolarHBondContact CE2-OG1 3.38Å |
| 53 | I | 77.7 | Confident | 80.8 | Confident | 53 Ų | 53 | 82.7 Ų | 82.7 | 27% | 0.272 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 172.9 | -64.7 | 167.3 | 0 | 0 | 0 | 110.2 | I21 T49 R50 Q55 K56 A61 | I21-I53 HydrophobicContact CB-CD1 4.19Å; I21-I53 HydrophobicContact CD1-CD1 3.52Å; I21-I53 HydrophobicContact CD1-CG1 3.52Å; I21-I53 HydrophobicContact CG1-CD1 4.44Å; I21-I53 HydrophobicContact CG2-CD1 3.84Å; T49-I53 HydrophobicContact CG2-CD1 4.29Å; T49-I53 VanDerWaalsContact O-CG1 3.31Å; T49-I53 WeakPolarHBondContact O-CG1 3.41Å; T49-I53 PolarHBondContact O-N 3.47Å; R50-I53 WeakPolarHBondContact O-CB 3.42Å; R50-I53 PolarHBondContact O-N 2.99Å; I53-Q55 PolarHBondContact O-N 2.74Å; I53-K56 PolarHBondContact O-N 2.74Å; I53-A61 HydrophobicContact CG1-CB 3.97Å |
| 54 | E | 84.6 | Confident | 80.9 | Confident | 127 Ų | 127 | 78.1 Ų | 78.1 | 59% | 0.593 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.2 | -33.2 | 177.3 | -72.2 | 172.8 | -173.2 | 0 | 0 | 111.8 | R50 T51 K56 | R50-E54 IonicContact NE-OE1 3.25Å; R50-E54 PolarHBondContact NE-OE1 3.46Å; R50-E54 IonicContact NH2-OE1 3.85Å; R50-E54 WeakPolarHBondContact O-CG 3.18Å; R50-E54 PolarHBondContact O-N 2.88Å; T51-E54 PolarHBondContact O-N 3.19Å; E54-K56 VanDerWaalsContact C-N 3.29Å; E54-K56 PolarHBondContact O-N 2.91Å |
| 55 | Q | 88.3 | Confident | 80.7 | Confident | 112 Ų | 112 | 72.4 Ų | 72.4 | 52% | 0.523 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 1.4 | 175.3 | -69.6 | 177.6 | -7.9 | 0 | 0 | 114.5 | T51 Y52 I53 E57 | T51-Q55 WeakPolarHBondContact O-CB 3.31Å; T51-Q55 VanDerWaalsContact O-CG 3.31Å; T51-Q55 WeakPolarHBondContact O-CG 3.34Å; T51-Q55 PolarHBondContact O-N 2.84Å; Y52-Q55 PolarHBondContact O-N 2.91Å; I53-Q55 PolarHBondContact O-N 2.74Å; Q55-E57 HydrophobicContact CB-CG 4.11Å; Q55-E57 PolarHBondContact O-N 2.92Å |
| 56 | K | 81.5 | Confident | 80.8 | Confident | 161 Ų | 161 | 80.1 Ų | 80.1 | 70% | 0.7 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 23.6 | -173.9 | -55.5 | -179.6 | 178.4 | -178.8 | 0 | 113.8 | Y52 I53 E54 Y58 | Y52-K56 PolarHBondContact O-N 2.95Å; I53-K56 PolarHBondContact O-N 2.74Å; E54-K56 VanDerWaalsContact C-N 3.29Å; E54-K56 PolarHBondContact O-N 2.91Å; K56-Y58 HydrophobicContact CB-CE2 4.19Å; K56-Y58 WeakPolarHBondContact O-CD2 3.09Å; K56-Y58 PolarHBondContact O-N 3.42Å |
| 57 | E | 84 | Confident | 80.9 | Confident | 65 Ų | 65 | 83 Ų | 83 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | trans | -91.9 | 66 | 176.7 | -64.6 | -166.9 | 146 | 0 | 0 | 110.9 | Y52 Q55 E59 K60 A61 | Y52-E57 HydrophobicContact CD1-CB 4.32Å; Y52-E57 VanDerWaalsContact CD1-OE2 3.31Å; Y52-E57 WeakPolarHBondContact CD1-OE2 3.37Å; Y52-E57 PolarHBondContact O-N 3.24Å; Q55-E57 HydrophobicContact CB-CG 4.11Å; Q55-E57 PolarHBondContact O-N 2.92Å; E57-E59 VanDerWaalsContact C-N 3.32Å; E57-E59 PolarHBondContact O-N 3.15Å; E57-K60 HydrophobicContact CB-CB 4.31Å; E57-K60 HydrophobicContact CB-CG 4.44Å; E57-K60 PolarHBondContact O-N 3.27Å; E57-K60 VanDerWaalsContact O-N 3.11Å; E57-K60 IonicContact OE1-NZ 2.75Å; E57-K60 PolarHBondContact OE1-NZ 3.19Å; E57-K60 WeakPolarHBondContact OE2-CD 3.05Å; E57-K60 VanDerWaalsContact OE2-CE 3.25Å; E57-K60 WeakPolarHBondContact OE2-CE 3.3Å; E57-K60 IonicContact OE2-NZ 2.73Å; E57-K60 PolarHBondContact OE2-NZ 2.98Å; E57-A61 PolarHBondContact O-N 3.02Å | ||
| 58 | Y | 80.7 | Confident | 80.8 | Confident | 100 Ų | 100 | 81 Ų | 81 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.5 | -35.3 | -171.5 | -58.7 | -70.9 | 0 | 0 | 0 | 114.3 | K56 K60 A61 K62 | K56-Y58 HydrophobicContact CB-CE2 4.19Å; K56-Y58 WeakPolarHBondContact O-CD2 3.09Å; K56-Y58 PolarHBondContact O-N 3.42Å; Y58-K60 PolarHBondContact O-N 3.13Å; Y58-A61 PolarHBondContact O-N 3.42Å; Y58-K62 WeakPolarHBondContact O-CB 3.33Å; Y58-K62 PolarHBondContact O-N 3.37Å |
| 59 | E | 83.4 | Confident | 80.7 | Confident | 146 Ų | 146 | 81.4 Ų | 81.4 | 68% | 0.682 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.4 | -42.1 | 176.2 | -76.2 | -61.6 | 130.7 | 0 | 0 | 111.8 | E57 K62 A63 | E57-E59 VanDerWaalsContact C-N 3.32Å; E57-E59 PolarHBondContact O-N 3.15Å; E59-K62 PolarHBondContact O-N 3.39Å; E59-A63 PolarHBondContact O-N 3.01Å |
| 60 | K | 80.7 | Confident | 81 | Confident | 99 Ų | 99 | 83.2 Ų | 83.2 | 43% | 0.43 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71.2 | -37.1 | 176.5 | -61 | -164.5 | -155.3 | 151.3 | 0 | 111.7 | Y52 E57 Y58 K62 A63 T64 | Y52-K60 HydrophobicContact CD1-CB 3.82Å; Y52-K60 HydrophobicContact CD1-CD 4.16Å; Y52-K60 HydrophobicContact CD2-CB 4.23Å; Y52-K60 HydrophobicContact CE1-CB 4.06Å; Y52-K60 HydrophobicContact CE1-CD 3.82Å; Y52-K60 HydrophobicContact CE2-CB 4.45Å; Y52-K60 HydrophobicContact CG-CB 3.93Å; E57-K60 HydrophobicContact CB-CB 4.31Å; E57-K60 HydrophobicContact CB-CG 4.44Å; E57-K60 PolarHBondContact O-N 3.27Å; E57-K60 VanDerWaalsContact O-N 3.11Å; E57-K60 IonicContact OE1-NZ 2.75Å; E57-K60 PolarHBondContact OE1-NZ 3.19Å; E57-K60 WeakPolarHBondContact OE2-CD 3.05Å; E57-K60 VanDerWaalsContact OE2-CE 3.25Å; E57-K60 WeakPolarHBondContact OE2-CE 3.3Å; E57-K60 IonicContact OE2-NZ 2.73Å; E57-K60 PolarHBondContact OE2-NZ 2.98Å; Y58-K60 PolarHBondContact O-N 3.13Å; K60-K62 VanDerWaalsContact C-N 3.34Å; K60-K62 PolarHBondContact O-N 2.85Å; K60-A63 PolarHBondContact O-N 3.06Å; K60-T64 WeakPolarHBondContact O-CB 3.49Å; K60-T64 PolarHBondContact O-N 2.92Å; K60-T64 PolarHBondContact O-OG1 2.86Å |
| 61 | A | 77.5 | Confident | 81 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I21 T49 I53 E57 Y58 T64 S65 | I21-A61 HydrophobicContact CD1-CB 4.35Å; T49-A61 HydrophobicContact CG2-CB 4.21Å; I53-A61 HydrophobicContact CG1-CB 3.97Å; E57-A61 PolarHBondContact O-N 3.02Å; Y58-A61 PolarHBondContact O-N 3.42Å; A61-T64 PolarHBondContact O-N 3.11Å; A61-S65 WeakPolarHBondContact O-CB 3.39Å; A61-S65 PolarHBondContact O-N 3.16Å |
| 62 | K | 78.5 | Confident | 80.7 | Confident | 110 Ų | 110 | 76.9 Ų | 76.9 | 48% | 0.478 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 177.8 | -174 | 178.6 | -179.5 | -179.2 | 0 | 112.4 | Y58 E59 K60 T64 S65 R66 | Y58-K62 WeakPolarHBondContact O-CB 3.33Å; Y58-K62 PolarHBondContact O-N 3.37Å; E59-K62 PolarHBondContact O-N 3.39Å; K60-K62 VanDerWaalsContact C-N 3.34Å; K60-K62 PolarHBondContact O-N 2.85Å; K62-T64 VanDerWaalsContact C-N 3.34Å; K62-S65 PolarHBondContact O-N 2.94Å; K62-R66 PolarHBondContact O-N 2.92Å; K62-R66 VanDerWaalsContact O-N 3.17Å |
| 63 | A | 81.7 | Confident | 80.8 | Confident | 57 Ų | 57 | 79 Ų | 79 | 47% | 0.471 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E59 K60 R66 C67 | E59-A63 PolarHBondContact O-N 3.01Å; K60-A63 PolarHBondContact O-N 3.06Å; A63-R66 PolarHBondContact O-N 3.48Å; A63-C67 PolarHBondContact O-N 3.39Å; A63-C67 PolarHBondContact O-SG 3.38Å |
| 64 | T | 78.8 | Confident | 81.1 | Confident | 22 Ų | 22 | 79.5 Ų | 79.5 | 14% | 0.135 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 179.5 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | S45 K48 T49 Y52 K60 A61 K62 R66 C67 T68 | S45-T64 WeakPolarHBondContact O-CG2 3.46Å; S45-T64 VanDerWaalsContact OG-CG2 3.31Å; S45-T64 WeakPolarHBondContact OG-CG2 3.39Å; S45-T64 PolarHBondContact OG-O 2.84Å; K48-T64 HydrophobicContact CB-CG2 4.19Å; T49-T64 WeakPolarHBondContact OG1-CG2 3.29Å; Y52-T64 WeakPolarHBondContact CE2-OG1 3.38Å; K60-T64 WeakPolarHBondContact O-CB 3.49Å; K60-T64 PolarHBondContact O-N 2.92Å; K60-T64 PolarHBondContact O-OG1 2.86Å; A61-T64 PolarHBondContact O-N 3.11Å; K62-T64 VanDerWaalsContact C-N 3.34Å; T64-R66 PolarHBondContact O-N 3.13Å; T64-C67 WeakPolarHBondContact O-CB 3.31Å; T64-C67 PolarHBondContact O-N 3.33Å; T64-T68 PolarHBondContact O-N 2.83Å; T64-T68 PolarHBondContact O-OG1 2.91Å |
| 65 | S | 78 | Confident | 80.9 | Confident | 22 Ų | 22 | 73.4 Ų | 73.4 | 15% | 0.154 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.2 | -44 | 175.9 | 175.8 | 0 | 0 | 0 | 0 | 112.2 | A61 K62 C67 T68 F69 | A61-S65 WeakPolarHBondContact O-CB 3.39Å; A61-S65 PolarHBondContact O-N 3.16Å; K62-S65 PolarHBondContact O-N 2.94Å; S65-C67 VanDerWaalsContact C-N 3.33Å; S65-C67 PolarHBondContact O-N 2.92Å; S65-T68 WeakPolarHBondContact O-CB 3.32Å; S65-T68 PolarHBondContact O-N 2.86Å; S65-T68 VanDerWaalsContact O-N 3.16Å; S65-F69 PolarHBondContact O-N 3.4Å |
| 66 | R | 80 | Confident | 80.6 | Confident | 174 Ų | 174 | 72 Ų | 72 | 66% | 0.657 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.3 | -41.7 | 174.1 | -71.7 | 179.8 | 175.2 | -176.5 | -2.4 | 112.2 | K62 A63 T64 F69 A70 | K62-R66 PolarHBondContact O-N 2.92Å; K62-R66 VanDerWaalsContact O-N 3.17Å; A63-R66 PolarHBondContact O-N 3.48Å; T64-R66 PolarHBondContact O-N 3.13Å; R66-F69 PolarHBondContact O-N 3.37Å; R66-A70 PolarHBondContact O-N 3.14Å |
| 67 | C | 79.7 | Confident | 80.9 | Confident | 66 Ų | 66 | 66.5 Ų | 66.5 | 45% | 0.446 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 174.1 | -68.1 | 0 | 0 | 0 | 0 | 111.5 | A63 T64 S65 F69 A70 F71 | A63-C67 PolarHBondContact O-N 3.39Å; A63-C67 PolarHBondContact O-SG 3.38Å; T64-C67 WeakPolarHBondContact O-CB 3.31Å; T64-C67 PolarHBondContact O-N 3.33Å; S65-C67 VanDerWaalsContact C-N 3.33Å; S65-C67 PolarHBondContact O-N 2.92Å; C67-F69 VanDerWaalsContact C-N 3.32Å; C67-F69 PolarHBondContact O-N 2.93Å; C67-A70 PolarHBondContact O-N 3.48Å; C67-F71 HydrophobicContact CB-CE2 4.45Å; C67-F71 WeakPolarHBondContact O-CD2 3.35Å; C67-F71 PolarHBondContact O-N 3.01Å |
| 68 | T | 77.6 | Confident | 81 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.4 | -45.4 | 175.8 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | H24 A42 S45 T64 S65 A70 F71 V72 | H24-T68 HydrophobicContact CB-CG2 4.39Å; A42-T68 HydrophobicContact CB-CG2 4.35Å; S45-T68 WeakPolarHBondContact CB-OG1 3.32Å; S45-T68 PolarHBondContact OG-OG1 2.91Å; T64-T68 PolarHBondContact O-N 2.83Å; T64-T68 PolarHBondContact O-OG1 2.91Å; S65-T68 WeakPolarHBondContact O-CB 3.32Å; S65-T68 PolarHBondContact O-N 2.86Å; S65-T68 VanDerWaalsContact O-N 3.16Å; T68-A70 PolarHBondContact O-N 3.41Å; T68-F71 PolarHBondContact O-N 3.4Å; T68-V72 WeakPolarHBondContact O-CG2 3.5Å; T68-V72 PolarHBondContact O-N 3.3Å |
| 69 | F | 80 | Confident | 81.1 | Confident | 111 Ų | 111 | 60 Ų | 60 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 176.7 | -176.7 | -97.5 | 0 | 0 | 0 | 112 | S65 R66 C67 F71 V72 L73 | S65-F69 PolarHBondContact O-N 3.4Å; R66-F69 PolarHBondContact O-N 3.37Å; C67-F69 VanDerWaalsContact C-N 3.32Å; C67-F69 PolarHBondContact O-N 2.93Å; F69-F71 PolarHBondContact O-N 2.83Å; F69-V72 PolarHBondContact O-N 3.21Å; F69-L73 WeakPolarHBondContact O-CB 3.39Å; F69-L73 PolarHBondContact O-N 3.11Å |
| 70 | A | 83.2 | Confident | 81.2 | Confident | 49 Ų | 49 | 56.2 Ų | 56.2 | 41% | 0.405 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R66 C67 T68 L73 S74 | R66-A70 PolarHBondContact O-N 3.14Å; C67-A70 PolarHBondContact O-N 3.48Å; T68-A70 PolarHBondContact O-N 3.41Å; A70-L73 PolarHBondContact O-N 2.93Å; A70-S74 VanDerWaalsContact O-CB 3.3Å; A70-S74 WeakPolarHBondContact O-CB 3.49Å; A70-S74 PolarHBondContact O-N 3.19Å; A70-S74 PolarHBondContact O-OG 3.43Å |
| 71 | F | 78.7 | Confident | 81.6 | Confident | 74 Ų | 74 | 56.5 Ų | 56.5 | 33% | 0.325 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 174 | -76.2 | -62.6 | 0 | 0 | 0 | 112.3 | L38 L41 A42 C67 T68 F69 S74 S75 | L38-F71 HydrophobicContact CD2-CD1 4.47Å; L41-F71 HydrophobicContact CB-CD1 4.33Å; L41-F71 HydrophobicContact CB-CE1 4.41Å; L41-F71 HydrophobicContact CD1-CD1 4.39Å; L41-F71 HydrophobicContact CD1-CE1 3.96Å; A42-F71 HydrophobicContact CB-CB 4.21Å; C67-F71 HydrophobicContact CB-CE2 4.45Å; C67-F71 WeakPolarHBondContact O-CD2 3.35Å; C67-F71 PolarHBondContact O-N 3.01Å; T68-F71 PolarHBondContact O-N 3.4Å; F69-F71 PolarHBondContact O-N 2.83Å; F71-S74 PolarHBondContact O-N 3.24Å; F71-S75 WeakPolarHBondContact O-CB 3.26Å; F71-S75 PolarHBondContact O-N 3.31Å |
| 72 | V | 77.5 | Confident | 82 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 4% | 0.036 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 175.8 | 168.7 | 0 | 0 | 0 | 0 | 110.3 | L27 A31 A42 T68 F69 S74 S75 I76 | L27-V72 HydrophobicContact CB-CG1 4.06Å; L27-V72 HydrophobicContact CB-CG2 4.17Å; L27-V72 HydrophobicContact CD2-CG1 4.27Å; A31-V72 HydrophobicContact CB-CG2 4.35Å; A42-V72 HydrophobicContact CB-CG2 4.08Å; T68-V72 WeakPolarHBondContact O-CG2 3.5Å; T68-V72 PolarHBondContact O-N 3.3Å; F69-V72 PolarHBondContact O-N 3.21Å; V72-S74 VanDerWaalsContact C-N 3.32Å; V72-S74 PolarHBondContact O-N 2.96Å; V72-S75 WeakPolarHBondContact O-CB 3.43Å; V72-S75 PolarHBondContact O-N 2.86Å; V72-S75 VanDerWaalsContact O-N 3.13Å; V72-I76 HydrophobicContact CG1-CD1 3.89Å; V72-I76 WeakPolarHBondContact O-CG1 3.44Å; V72-I76 PolarHBondContact O-N 3.43Å |
| 73 | L | 83.7 | Confident | 82.3 | Confident | 102 Ų | 102 | 61.6 Ų | 61.6 | 53% | 0.534 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 179 | -174.6 | 63.3 | 0 | 0 | 0 | 111.5 | F69 A70 S75 I76 A77 | F69-L73 WeakPolarHBondContact O-CB 3.39Å; F69-L73 PolarHBondContact O-N 3.11Å; A70-L73 PolarHBondContact O-N 2.93Å; L73-S75 VanDerWaalsContact C-N 3.32Å; L73-S75 PolarHBondContact O-N 3.47Å; L73-I76 PolarHBondContact O-N 2.79Å; L73-A77 WeakPolarHBondContact O-CB 3.28Å; L73-A77 PolarHBondContact O-N 2.96Å |
| 74 | S | 84.4 | Confident | 82.6 | Confident | 64 Ų | 64 | 65.4 Ų | 65.4 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.1 | -34.8 | 176.4 | -56.6 | 0 | 0 | 0 | 0 | 112 | L38 A70 F71 V72 G78 | L38-S74 VanDerWaalsContact CD2-CB 3.5Å; A70-S74 VanDerWaalsContact O-CB 3.3Å; A70-S74 WeakPolarHBondContact O-CB 3.49Å; A70-S74 PolarHBondContact O-N 3.19Å; A70-S74 PolarHBondContact O-OG 3.43Å; F71-S74 PolarHBondContact O-N 3.24Å; V72-S74 VanDerWaalsContact C-N 3.32Å; V72-S74 PolarHBondContact O-N 2.96Å; S74-G78 PolarHBondContact O-N 3.49Å |
| 75 | S | 82 | Confident | 83.1 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.2 | -45 | 175.9 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | A31 F35 F71 V72 L73 G78 G79 | A31-S75 PolarHBondContact O-OG 3.47Å; A31-S75 VanDerWaalsContact O-OG 3.11Å; F35-S75 WeakPolarHBondContact CB-OG 3.28Å; F71-S75 WeakPolarHBondContact O-CB 3.26Å; F71-S75 PolarHBondContact O-N 3.31Å; V72-S75 WeakPolarHBondContact O-CB 3.43Å; V72-S75 PolarHBondContact O-N 2.86Å; V72-S75 VanDerWaalsContact O-N 3.13Å; L73-S75 VanDerWaalsContact C-N 3.32Å; L73-S75 PolarHBondContact O-N 3.47Å; S75-G78 PolarHBondContact O-N 2.86Å; S75-G79 PolarHBondContact O-N 3.25Å |
| 76 | I | 82 | Confident | 83.5 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 42% | 0.421 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 176.6 | -66.2 | 168 | 0 | 0 | 0 | 110.3 | V72 L73 S80 | V72-I76 HydrophobicContact CG1-CD1 3.89Å; V72-I76 WeakPolarHBondContact O-CG1 3.44Å; V72-I76 PolarHBondContact O-N 3.43Å; L73-I76 PolarHBondContact O-N 2.79Å; I76-S80 VanDerWaalsContact O-CB 3.29Å; I76-S80 WeakPolarHBondContact O-CB 3.27Å; I76-S80 PolarHBondContact O-N 3.45Å; I76-S80 PolarHBondContact O-OG 2.96Å |
| 77 | A | 87 | Confident | 83.8 | Confident | 45 Ų | 45 | 68 Ų | 68 | 37% | 0.372 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L73 S80 I81 | L73-A77 WeakPolarHBondContact O-CB 3.28Å; L73-A77 PolarHBondContact O-N 2.96Å; A77-S80 PolarHBondContact O-OG 3.38Å; A77-I81 WeakPolarHBondContact O-CD1 3.2Å; A77-I81 WeakPolarHBondContact O-CG1 3.36Å; A77-I81 PolarHBondContact O-N 3.11Å; A77-I81 VanDerWaalsContact O-N 3.11Å |
| 78 | G | 86.5 | Confident | 84.3 | Confident | 23 Ų | 23 | 66.3 Ų | 66.3 | 24% | 0.237 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S74 S75 I81 I82 | S74-G78 PolarHBondContact O-N 3.49Å; S75-G78 PolarHBondContact O-N 2.86Å; G78-I81 PolarHBondContact O-N 2.99Å; G78-I82 VanDerWaalsContact O-CG1 3.29Å; G78-I82 WeakPolarHBondContact O-CG1 3.45Å; G78-I82 PolarHBondContact O-N 3.41Å |
| 79 | G | 82 | Confident | 84.8 | Confident | 7 Ų | 7 | 74.3 Ų | 74.3 | 7% | 0.072 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S75 I82 F83 | S75-G79 PolarHBondContact O-N 3.25Å; G79-I82 PolarHBondContact O-N 3.45Å; G79-F83 VanDerWaalsContact O-CB 3.27Å; G79-F83 WeakPolarHBondContact O-CB 3.49Å; G79-F83 PolarHBondContact O-N 3.14Å |
| 80 | S | 85.6 | Confident | 85.2 | Confident | 65 Ų | 65 | 75.7 Ų | 75.7 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 177.4 | 68.3 | 0 | 0 | 0 | 0 | 112.2 | I76 A77 F83 F84 | I76-S80 VanDerWaalsContact O-CB 3.29Å; I76-S80 WeakPolarHBondContact O-CB 3.27Å; I76-S80 PolarHBondContact O-N 3.45Å; I76-S80 PolarHBondContact O-OG 2.96Å; A77-S80 PolarHBondContact O-OG 3.38Å; S80-F83 PolarHBondContact O-N 3.48Å; S80-F84 VanDerWaalsContact O-CB 3.28Å; S80-F84 WeakPolarHBondContact O-CB 3.25Å; S80-F84 PolarHBondContact O-N 3.31Å |
| 81 | I | 88.9 | Confident | 85.2 | Confident | 106 Ų | 106 | 80.5 Ų | 80.5 | 54% | 0.544 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 174.2 | -67.8 | 164.1 | 0 | 0 | 0 | 110.3 | A77 G78 F83 F84 C85 | A77-I81 WeakPolarHBondContact O-CD1 3.2Å; A77-I81 WeakPolarHBondContact O-CG1 3.36Å; A77-I81 PolarHBondContact O-N 3.11Å; A77-I81 VanDerWaalsContact O-N 3.11Å; G78-I81 PolarHBondContact O-N 2.99Å; I81-F83 PolarHBondContact O-N 2.75Å; I81-F84 PolarHBondContact O-N 3.31Å; I81-C85 WeakPolarHBondContact O-CB 3.36Å; I81-C85 PolarHBondContact O-N 3.3Å; I81-C85 PolarHBondContact O-SG 3.47Å |
| 82 | I | 86.6 | Confident | 85.2 | Confident | 75 Ų | 75 | 85.9 Ų | 85.9 | 39% | 0.385 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 178.8 | -68 | 166.3 | 0 | 0 | 0 | 110.6 | F35 G78 G79 F84 C85 L86 | F35-I82 HydrophobicContact CD2-CD1 3.61Å; F35-I82 HydrophobicContact CE2-CD1 3.24Å; F35-I82 HydrophobicContact CZ-CD1 4.2Å; G78-I82 VanDerWaalsContact O-CG1 3.29Å; G78-I82 WeakPolarHBondContact O-CG1 3.45Å; G78-I82 PolarHBondContact O-N 3.41Å; G79-I82 PolarHBondContact O-N 3.45Å; I82-F84 PolarHBondContact O-N 2.92Å; I82-C85 PolarHBondContact O-N 2.85Å; I82-L86 HydrophobicContact CG2-CD1 4.02Å; I82-L86 HydrophobicContact CG2-CG 4.42Å; I82-L86 WeakPolarHBondContact O-CG 3.29Å; I82-L86 PolarHBondContact O-N 3.31Å |
| 83 | F | 84.9 | Confident | 84.5 | Confident | 141 Ų | 141 | 94.9 Ų | 94.9 | 62% | 0.618 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.9 | -46 | 176.6 | -178.4 | -94.8 | 0 | 0 | 0 | 111.5 | G79 S80 I81 C85 L86 F87 | G79-F83 VanDerWaalsContact O-CB 3.27Å; G79-F83 WeakPolarHBondContact O-CB 3.49Å; G79-F83 PolarHBondContact O-N 3.14Å; S80-F83 PolarHBondContact O-N 3.48Å; I81-F83 PolarHBondContact O-N 2.75Å; F83-C85 PolarHBondContact O-N 2.82Å; F83-L86 PolarHBondContact O-N 3.48Å; F83-F87 VanDerWaalsContact O-CB 3.25Å; F83-F87 WeakPolarHBondContact O-CB 3.47Å; F83-F87 PolarHBondContact O-N 2.88Å |
| 84 | F | 88.3 | Confident | 84.5 | Confident | 138 Ų | 138 | 94.5 Ų | 94.5 | 61% | 0.605 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.1 | -40.4 | 177.6 | -173.9 | -96.3 | 0 | 0 | 0 | 112.2 | S80 I81 I82 S88 | S80-F84 VanDerWaalsContact O-CB 3.28Å; S80-F84 WeakPolarHBondContact O-CB 3.25Å; S80-F84 PolarHBondContact O-N 3.31Å; I81-F84 PolarHBondContact O-N 3.31Å; I82-F84 PolarHBondContact O-N 2.92Å; F84-S88 VanDerWaalsContact O-CB 3.23Å; F84-S88 WeakPolarHBondContact O-CB 3.23Å; F84-S88 PolarHBondContact O-N 3.45Å; F84-S88 PolarHBondContact O-OG 3.49Å |
| 85 | C | 88.9 | Confident | 84.5 | Confident | 74 Ų | 74 | 96.1 Ų | 96.1 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 174.8 | -73 | 0 | 0 | 0 | 0 | 112.2 | I81 I82 F83 R89 | I81-C85 WeakPolarHBondContact O-CB 3.36Å; I81-C85 PolarHBondContact O-N 3.3Å; I81-C85 PolarHBondContact O-SG 3.47Å; I82-C85 PolarHBondContact O-N 2.85Å; F83-C85 PolarHBondContact O-N 2.82Å; C85-R89 WeakPolarHBondContact O-CB 3.42Å; C85-R89 PolarHBondContact O-N 2.95Å |
| 86 | L | 86.6 | Confident | 84.7 | Confident | 102 Ų | 102 | 101.4 Ų | 101.4 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 177.1 | -71.3 | 175.2 | 0 | 0 | 0 | 111.7 | I82 F83 R89 L90 | I82-L86 HydrophobicContact CG2-CD1 4.02Å; I82-L86 HydrophobicContact CG2-CG 4.42Å; I82-L86 WeakPolarHBondContact O-CG 3.29Å; I82-L86 PolarHBondContact O-N 3.31Å; F83-L86 PolarHBondContact O-N 3.48Å; L86-R89 PolarHBondContact O-N 3.25Å; L86-L90 WeakPolarHBondContact O-CG 3.43Å; L86-L90 PolarHBondContact O-N 3.01Å |
| 87 | F | 86.6 | Confident | 84.8 | Confident | 95 Ų | 95 | 102.6 Ų | 102.6 | 42% | 0.417 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 177.2 | -175.6 | -95.3 | 0 | 0 | 0 | 111.4 | F83 R89 L90 F91 | F83-F87 VanDerWaalsContact O-CB 3.25Å; F83-F87 WeakPolarHBondContact O-CB 3.47Å; F83-F87 PolarHBondContact O-N 2.88Å; F87-R89 VanDerWaalsContact C-N 3.28Å; F87-R89 PolarHBondContact O-N 3.02Å; F87-L90 PolarHBondContact O-N 3.49Å; F87-L90 VanDerWaalsContact O-N 3.13Å; F87-F91 HydrophobicContact CD1-CD2 4.37Å; F87-F91 HydrophobicContact CD2-CD2 4.28Å; F87-F91 AromaticContact CE1-CD2 3.72Å; F87-F91 HydrophobicContact CE1-CD2 3.72Å; F87-F91 HydrophobicContact CE1-CE2 4.15Å; F87-F91 HydrophobicContact CE1-CG 4.23Å; F87-F91 AromaticContact CE2-CD2 3.63Å; F87-F91 HydrophobicContact CE2-CD2 3.63Å; F87-F91 AromaticContact CE2-CE2 3.59Å; F87-F91 HydrophobicContact CE2-CE2 3.59Å; F87-F91 AromaticContact CZ-CD2 3.31Å; F87-F91 HydrophobicContact CZ-CD2 3.31Å; F87-F91 AromaticContact CZ-CE2 3.31Å; F87-F91 HydrophobicContact CZ-CE2 3.31Å; F87-F91 HydrophobicContact CZ-CG 4.19Å; F87-F91 HydrophobicContact CZ-CZ 4.19Å; F87-F91 PolarHBondContact O-N 3.36Å |
| 88 | S | 90.1 | Very high | 84.7 | Confident | 31 Ų | 31 | 106.2 Ų | 106.2 | 22% | 0.217 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 176.3 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | F84 L90 F91 F92 | F84-S88 VanDerWaalsContact O-CB 3.23Å; F84-S88 WeakPolarHBondContact O-CB 3.23Å; F84-S88 PolarHBondContact O-N 3.45Å; F84-S88 PolarHBondContact O-OG 3.49Å; S88-L90 PolarHBondContact O-N 3.4Å; S88-F91 PolarHBondContact O-N 3.28Å; S88-F92 WeakPolarHBondContact O-CB 3.39Å; S88-F92 WeakPolarHBondContact O-CD2 3.41Å; S88-F92 PolarHBondContact O-N 3.03Å |
| 89 | R | 87.3 | Confident | 84.6 | Confident | 171 Ų | 171 | 111.7 Ų | 111.7 | 65% | 0.645 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.7 | -37.9 | 176.2 | -168.5 | -169.9 | 173.8 | 123.3 | 3.3 | 112.6 | C85 L86 F87 M93 | C85-R89 WeakPolarHBondContact O-CB 3.42Å; C85-R89 PolarHBondContact O-N 2.95Å; L86-R89 PolarHBondContact O-N 3.25Å; F87-R89 VanDerWaalsContact C-N 3.28Å; F87-R89 PolarHBondContact O-N 3.02Å; R89-M93 HydrophobicContact CG-SD 4.35Å; R89-M93 WeakPolarHBondContact O-CB 3.42Å; R89-M93 PolarHBondContact O-N 3.13Å |
| 90 | L | 87.6 | Confident | 84.7 | Confident | 139 Ų | 139 | 119.2 Ų | 119.2 | 73% | 0.728 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -75.5 | -29.4 | 179.3 | -72.8 | 170.7 | 0 | 0 | 0 | 113.3 | L86 F87 S88 | L86-L90 WeakPolarHBondContact O-CG 3.43Å; L86-L90 PolarHBondContact O-N 3.01Å; F87-L90 PolarHBondContact O-N 3.49Å; F87-L90 VanDerWaalsContact O-N 3.13Å; S88-L90 PolarHBondContact O-N 3.4Å |
| 91 | F | 83.4 | Confident | 84.7 | Confident | 150 Ų | 150 | 123.4 Ų | 123.4 | 66% | 0.658 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -89.7 | -27.1 | -178.6 | -111.5 | -90 | 0 | 0 | 0 | 114.1 | F87 S88 | F87-F91 HydrophobicContact CD1-CD2 4.37Å; F87-F91 HydrophobicContact CD2-CD2 4.28Å; F87-F91 AromaticContact CE1-CD2 3.72Å; F87-F91 HydrophobicContact CE1-CD2 3.72Å; F87-F91 HydrophobicContact CE1-CE2 4.15Å; F87-F91 HydrophobicContact CE1-CG 4.23Å; F87-F91 AromaticContact CE2-CD2 3.63Å; F87-F91 HydrophobicContact CE2-CD2 3.63Å; F87-F91 AromaticContact CE2-CE2 3.59Å; F87-F91 HydrophobicContact CE2-CE2 3.59Å; F87-F91 AromaticContact CZ-CD2 3.31Å; F87-F91 HydrophobicContact CZ-CD2 3.31Å; F87-F91 AromaticContact CZ-CE2 3.31Å; F87-F91 HydrophobicContact CZ-CE2 3.31Å; F87-F91 HydrophobicContact CZ-CG 4.19Å; F87-F91 HydrophobicContact CZ-CZ 4.19Å; F87-F91 PolarHBondContact O-N 3.36Å; S88-F91 PolarHBondContact O-N 3.28Å |
| 92 | F | 79 | Confident | 84.3 | Confident | 188 Ų | 188 | 124.8 Ų | 124.8 | 83% | 0.825 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -103.2 | -0.6 | -178.5 | -76.1 | -85.6 | 0 | 0 | 0 | 114.6 | S88 | S88-F92 WeakPolarHBondContact O-CB 3.39Å; S88-F92 WeakPolarHBondContact O-CD2 3.41Å; S88-F92 PolarHBondContact O-N 3.03Å |
| 93 | M | 62.6 | Low | 84.1 | Confident | 194 Ų | 194 | 129.4 Ų | 129.4 | 96% | 0.956 | 61% | 0.609 | S | S | * | * | trans | -97.7 | 0 | 164.1 | -76.4 | -164.2 | 91.2 | 0 | 0 | 110.2 | R89 | R89-M93 HydrophobicContact CG-SD 4.35Å; R89-M93 WeakPolarHBondContact O-CB 3.42Å; R89-M93 PolarHBondContact O-N 3.13Å |
Retrieved 93 of 93 residues in 113.9 ms
(Link to these results)