| 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 | 34.8 | Very low | 38.5 | Very low | 234 Ų | 234 | 148.5 Ų | 148.5 | 100% | 1.153 | 83% | 0.827 | S | S | * | * | 0 | 83.9 | 0 | -115.3 | 158.1 | 169 | 0 | 0 | 106.1 | |||||
| 2 | S | 37.5 | Very low | 38.5 | Very low | 92 Ų | 92 | 148.4 Ų | 148.4 | 64% | 0.643 | 82% | 0.823 | S | S | * | * | 59.7 | 116.4 | 88 | 63.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 3 | H | 30.9 | Very low | 38.5 | Very low | 184 Ų | 184 | 149.4 Ų | 149.4 | 85% | 0.852 | 82% | 0.824 | S | S | * | * | -155.9 | 146.9 | 63.1 | -101.5 | -90.1 | 0 | 0 | 0 | 113.7 | |||||
| 4 | L | 38 | Very low | 38.2 | Very low | 165 Ų | 165 | 154.1 Ų | 154.1 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -85.6 | 149.7 | 167.7 | -78.7 | 117.5 | 0 | 0 | 0 | 111.2 | ||||
| 5 | D | 42.2 | Very low | 38.4 | Very low | 159 Ų | 159 | 151.8 Ų | 151.8 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -63.5 | 157.6 | 162.1 | -69.4 | -56.7 | 0 | 0 | 0 | 112.7 | ||||
| 6 | P | 44.4 | Very low | 38.5 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -132.9 | 120.8 | 148.2 | 33.1 | -16.9 | 0 | 0 | 0 | 114.5 | ||||
| 7 | D | 35.3 | Very low | 38.7 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | 47 | 116.5 | 126.5 | -70.1 | -25.9 | 0 | 0 | 0 | 123.1 | T9 | D7-T9 PolarHBondContact O-N 3.42Š| |||
| 8 | D | 42.1 | Very low | 39 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | trans | -44.6 | 114.5 | 138.3 | -93.8 | -40.1 | 0 | 0 | 0 | 112.1 | ||||
| 9 | T | 41.2 | Very low | 39.8 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | -161.4 | 103.3 | 150.8 | 34.8 | 0 | 0 | 0 | 0 | 110.6 | D7 | D7-T9 PolarHBondContact O-N 3.42Š| ||
| 10 | T | 37.9 | Very low | 40.6 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | -177 | 102.2 | 135.8 | 17.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 11 | P | 38.8 | Very low | 41.6 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | trans | -124.9 | 81.2 | 148.9 | 35 | -19 | 0 | 0 | 0 | 108.3 | ||||
| 12 | L | 38.8 | Very low | 43 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | trans | -129.3 | 9.8 | 179.3 | -102.3 | 164.2 | 0 | 0 | 0 | 114 | ||||
| 13 | L | 39.1 | Very low | 44.5 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 84% | 0.843 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -127.5 | 10.3 | -179.2 | -79.2 | 167.3 | 0 | 0 | 0 | 114.1 | ||
| 14 | R | 33.6 | Very low | 46.8 | Very low | 216 Ų | 216 | 123.6 Ų | 123.6 | 82% | 0.815 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -109.6 | -9.9 | -176.9 | -151.9 | 171 | 161.5 | 159.6 | -4.5 | 114.3 | ||
| 15 | D | 40.8 | Very low | 48.9 | Very low | 119 Ų | 119 | 117.5 Ų | 117.5 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -92.5 | -22.2 | 179.5 | -75 | -28.8 | 0 | 0 | 0 | 113.9 | N18 S19 | D15-N18 PolarHBondContact O-N 3.35Å; D15-S19 WeakPolarHBondContact O-CB 3.44Å; D15-S19 PolarHBondContact O-N 3.42Å; D15-S19 VanDerWaalsContact O-N 3.09Å; D15-S19 PolarHBondContact O-OG 3.49Å |
| 16 | D | 41 | Very low | 50.8 | Low | 105 Ų | 105 | 113.9 Ų | 113.9 | 56% | 0.561 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.3 | -37.4 | -179.9 | -68.8 | -24 | 0 | 0 | 0 | 112.2 | N18 S19 D20 | D16-N18 VanDerWaalsContact C-N 3.34Å; D16-N18 PolarHBondContact O-N 3.09Å; D16-S19 PolarHBondContact O-N 3.01Å; D16-S19 PolarHBondContact O-OG 3.36Å; D16-D20 PolarHBondContact O-N 3.29Å |
| 17 | A | 42.3 | Very low | 52.8 | Low | 75 Ų | 75 | 113.6 Ų | 113.6 | 62% | 0.62 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.8 | -30.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 18 | N | 44 | Very low | 55.3 | Low | 115 Ų | 115 | 114.4 Ų | 114.4 | 62% | 0.615 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -82.5 | -26.6 | 176.7 | -98.7 | -6 | 0 | 0 | 0 | 112.6 | D15 D16 S22 | D15-N18 PolarHBondContact O-N 3.35Å; D16-N18 VanDerWaalsContact C-N 3.34Å; D16-N18 PolarHBondContact O-N 3.09Å; N18-S22 WeakPolarHBondContact O-CB 3.44Å; N18-S22 PolarHBondContact O-N 3.11Å; N18-S22 PolarHBondContact O-OG 3.01Å |
| 19 | S | 53.2 | Low | 57.6 | Low | 43 Ų | 43 | 107.4 Ų | 107.4 | 30% | 0.301 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -75.8 | -36.2 | 179.3 | 68.6 | 0 | 0 | 0 | 0 | 112.5 | D15 D16 S22 Q23 | D15-S19 WeakPolarHBondContact O-CB 3.44Å; D15-S19 PolarHBondContact O-N 3.42Å; D15-S19 VanDerWaalsContact O-N 3.09Å; D15-S19 PolarHBondContact O-OG 3.49Å; D16-S19 PolarHBondContact O-N 3.01Å; D16-S19 PolarHBondContact O-OG 3.36Å; S19-S22 WeakPolarHBondContact CA-OG 3.34Å; S19-S22 PolarHBondContact O-OG 2.8Å; S19-Q23 WeakPolarHBondContact O-CB 3.3Å; S19-Q23 VanDerWaalsContact O-CG 3.3Å; S19-Q23 WeakPolarHBondContact O-CG 3.45Å; S19-Q23 PolarHBondContact O-N 2.66Å |
| 20 | D | 56.3 | Low | 60.1 | Low | 114 Ų | 114 | 102.5 Ų | 102.5 | 61% | 0.61 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.4 | -42.4 | 174.7 | -88.1 | -12.4 | 0 | 0 | 0 | 112.4 | D16 S22 Q23 D24 | D16-D20 PolarHBondContact O-N 3.29Å; D20-S22 VanDerWaalsContact C-N 3.33Å; D20-S22 PolarHBondContact O-N 3.17Å; D20-Q23 PolarHBondContact O-N 3.03Å; D20-D24 PolarHBondContact O-N 3.36Å |
| 21 | D | 61.2 | Low | 62.7 | Low | 121 Ų | 121 | 98 Ų | 98 | 65% | 0.647 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.8 | -32.3 | -178.9 | -142.5 | 25.2 | 0 | 0 | 0 | 111.8 | G25 | D21-G25 PolarHBondContact O-N 3.46Å; D21-G25 VanDerWaalsContact O-N 3.11Å |
| 22 | S | 64.8 | Low | 65.4 | Low | 67 Ų | 67 | 98.2 Ų | 98.2 | 47% | 0.469 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74 | -37.7 | 173.7 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | N18 S19 D20 G25 D26 | N18-S22 WeakPolarHBondContact O-CB 3.44Å; N18-S22 PolarHBondContact O-N 3.11Å; N18-S22 PolarHBondContact O-OG 3.01Å; S19-S22 WeakPolarHBondContact CA-OG 3.34Å; S19-S22 PolarHBondContact O-OG 2.8Å; D20-S22 VanDerWaalsContact C-N 3.33Å; D20-S22 PolarHBondContact O-N 3.17Å; S22-G25 PolarHBondContact O-N 3.45Å; S22-D26 PolarHBondContact O-N 2.98Å; S22-D26 VanDerWaalsContact O-N 3.08Å |
| 23 | Q | 69.4 | Low | 68 | Low | 129 Ų | 129 | 91.2 Ų | 91.2 | 60% | 0.603 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.9 | -40.7 | 174.2 | -77.8 | -176 | 30.9 | 0 | 0 | 112.6 | S19 D20 D26 Y27 | S19-Q23 WeakPolarHBondContact O-CB 3.3Å; S19-Q23 VanDerWaalsContact O-CG 3.3Å; S19-Q23 WeakPolarHBondContact O-CG 3.45Å; S19-Q23 PolarHBondContact O-N 2.66Å; D20-Q23 PolarHBondContact O-N 3.03Å; Q23-D26 PolarHBondContact O-N 3.47Å; Q23-Y27 WeakPolarHBondContact O-CB 3.32Å; Q23-Y27 PolarHBondContact O-N 3.21Å |
| 24 | D | 77.6 | Confident | 70.7 | Confident | 60 Ų | 60 | 83.5 Ų | 83.5 | 32% | 0.321 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.4 | -37.5 | 177.2 | -167.6 | 19.9 | 0 | 0 | 0 | 111.5 | D20 D26 Y27 R28 | D20-D24 PolarHBondContact O-N 3.36Å; D24-D26 PolarHBondContact O-N 2.94Å; D24-Y27 PolarHBondContact O-N 3.07Å; D24-R28 WeakPolarHBondContact O-CB 3.38Å; D24-R28 VanDerWaalsContact O-CG 3.28Å; D24-R28 WeakPolarHBondContact O-CG 3.37Å; D24-R28 PolarHBondContact O-N 3.29Å; D24-R28 IonicContact OD1-NE 3.17Å; D24-R28 PolarHBondContact OD1-NE 3.44Å; D24-R28 IonicContact OD2-CZ 3.3Å; D24-R28 VanDerWaalsContact OD2-CZ 3.3Å; D24-R28 IonicContact OD2-NE 2.81Å; D24-R28 PolarHBondContact OD2-NE 3.48Å; D24-R28 IonicContact OD2-NH2 2.66Å; D24-R28 PolarHBondContact OD2-NH2 2.93Å |
| 25 | G | 82.6 | Confident | 73.6 | Confident | 37 Ų | 37 | 81.5 Ų | 81.5 | 38% | 0.381 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D21 S22 R28 S29 | D21-G25 PolarHBondContact O-N 3.46Å; D21-G25 VanDerWaalsContact O-N 3.11Å; S22-G25 PolarHBondContact O-N 3.45Å; G25-R28 PolarHBondContact O-N 3.08Å; G25-S29 WeakPolarHBondContact O-CB 3.28Å; G25-S29 PolarHBondContact O-N 3.48Å |
| 26 | D | 82.6 | Confident | 76.2 | Confident | 82 Ų | 82 | 76.1 Ų | 76.1 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 176.8 | -89.9 | 1.6 | 0 | 0 | 0 | 112.2 | S22 Q23 D24 S29 R30 N238 | S22-D26 PolarHBondContact O-N 2.98Å; S22-D26 VanDerWaalsContact O-N 3.08Å; Q23-D26 PolarHBondContact O-N 3.47Å; D24-D26 PolarHBondContact O-N 2.94Å; D26-S29 PolarHBondContact O-N 3.39Å; D26-R30 VanDerWaalsContact O-CB 3.3Å; D26-R30 WeakPolarHBondContact O-CB 3.48Å; D26-R30 PolarHBondContact O-N 3.45Å; D26-N238 PolarHBondContact OD2-ND2 3.08Å; D26-N238 VanDerWaalsContact OD2-ND2 3.15Å |
| 27 | Y | 86.2 | Confident | 78.9 | Confident | 111 Ų | 111 | 71.2 Ų | 71.2 | 44% | 0.435 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 175.3 | 178.3 | -94.1 | 0 | 0 | 0 | 111.6 | Q23 D24 S29 R30 W31 | Q23-Y27 WeakPolarHBondContact O-CB 3.32Å; Q23-Y27 PolarHBondContact O-N 3.21Å; D24-Y27 PolarHBondContact O-N 3.07Å; Y27-S29 PolarHBondContact O-N 3.13Å; Y27-R30 WeakPolarHBondContact O-CB 3.44Å; Y27-R30 PolarHBondContact O-N 3.34Å; Y27-W31 AromaticContact CD1-CD1 3.84Å; Y27-W31 AromaticContact CD2-CD1 3.74Å; Y27-W31 AromaticContact CD2-NE1 3.7Å; Y27-W31 AromaticContact CE1-CD1 3.49Å; Y27-W31 VanDerWaalsContact CE1-CD1 3.49Å; Y27-W31 HydrophobicContact CE1-CG 4.44Å; Y27-W31 AromaticContact CE1-NE1 3.81Å; Y27-W31 AromaticContact CE2-CD1 3.42Å; Y27-W31 VanDerWaalsContact CE2-CD1 3.42Å; Y27-W31 AromaticContact CE2-NE1 3.01Å; Y27-W31 AromaticContact CG-CD1 3.94Å; Y27-W31 AromaticContact CZ-CD1 3.27Å; Y27-W31 AromaticContact CZ-NE1 3.06Å; Y27-W31 VanDerWaalsContact O-CD1 3.27Å; Y27-W31 PolarHBondContact O-N 3.36Å; Y27-W31 PolarHBondContact OH-NE1 2.97Å |
| 28 | R | 88.6 | Confident | 81.5 | Confident | 167 Ų | 167 | 68.6 Ų | 68.6 | 63% | 0.63 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.8 | -42.6 | 177.9 | -69.3 | 175.9 | -163 | -157.4 | 10.7 | 111.7 | D24 G25 W31 R32 | D24-R28 WeakPolarHBondContact O-CB 3.38Å; D24-R28 VanDerWaalsContact O-CG 3.28Å; D24-R28 WeakPolarHBondContact O-CG 3.37Å; D24-R28 PolarHBondContact O-N 3.29Å; D24-R28 IonicContact OD1-NE 3.17Å; D24-R28 PolarHBondContact OD1-NE 3.44Å; D24-R28 IonicContact OD2-CZ 3.3Å; D24-R28 VanDerWaalsContact OD2-CZ 3.3Å; D24-R28 IonicContact OD2-NE 2.81Å; D24-R28 PolarHBondContact OD2-NE 3.48Å; D24-R28 IonicContact OD2-NH2 2.66Å; D24-R28 PolarHBondContact OD2-NH2 2.93Å; G25-R28 PolarHBondContact O-N 3.08Å; R28-W31 PolarHBondContact O-N 3.2Å; R28-R32 WeakPolarHBondContact O-CB 3.42Å; R28-R32 PolarHBondContact O-N 3.47Å |
| 29 | S | 90.1 | Very high | 84 | Confident | 18 Ų | 18 | 67 Ų | 67 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 176.6 | 175.6 | 0 | 0 | 0 | 0 | 112.2 | G25 D26 Y27 R32 S33 H230 | G25-S29 WeakPolarHBondContact O-CB 3.28Å; G25-S29 PolarHBondContact O-N 3.48Å; D26-S29 PolarHBondContact O-N 3.39Å; Y27-S29 PolarHBondContact O-N 3.13Å; S29-R32 PolarHBondContact O-N 3.01Å; S29-S33 PolarHBondContact O-N 3.05Å; S29-S33 VanDerWaalsContact O-N 3.13Å; S29-S33 PolarHBondContact O-OG 3.48Å; S29-S33 VanDerWaalsContact O-OG 3.05Å; S29-H230 PolarHBondContact OG-CE1 3.35Å; S29-H230 PolarHBondContact OG-NE2 3.47Å |
| 30 | R | 92.2 | Very high | 86 | Confident | 15 Ų | 15 | 65 Ų | 65 | 6% | 0.057 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.3 | -53 | 175.6 | -179.2 | 178.5 | 82.2 | -170.9 | 8.9 | 111.5 | D26 Y27 R32 S33 I34 A154 E159 H230 | D26-R30 VanDerWaalsContact O-CB 3.3Å; D26-R30 WeakPolarHBondContact O-CB 3.48Å; D26-R30 PolarHBondContact O-N 3.45Å; Y27-R30 WeakPolarHBondContact O-CB 3.44Å; Y27-R30 PolarHBondContact O-N 3.34Å; R30-R32 VanDerWaalsContact C-N 3.31Å; R30-R32 PolarHBondContact O-N 3.15Å; R30-S33 WeakPolarHBondContact O-CA 3.45Å; R30-S33 WeakPolarHBondContact O-CB 3.46Å; R30-S33 PolarHBondContact O-N 3.01Å; R30-I34 HydrophobicContact CG-CD1 4.07Å; R30-I34 WeakPolarHBondContact O-CG1 3.3Å; R30-I34 PolarHBondContact O-N 3.35Å; R30-A154 VanDerWaalsContact CD-O 3.28Å; R30-A154 WeakPolarHBondContact CD-O 3.47Å; R30-E159 IonicContact CZ-OE2 2.69Å; R30-E159 IonicContact NH2-OE1 2.71Å; R30-E159 PolarHBondContact NH2-OE1 2.99Å; R30-E159 IonicContact NH2-OE2 3.65Å; R30-E159 PolarHBondContact NH2-OE2 3.26Å; R30-E159 VanDerWaalsContact NH2-OE2 3.13Å; R30-H230 HydrophobicContact CB-CB 4.44Å; R30-H230 HydrophobicContact CG-CB 4.12Å; R30-H230 PolarHBondContact N-NE2 2.89Å |
| 31 | W | 93.6 | Very high | 87.8 | Confident | 40 Ų | 40 | 59.6 Ų | 59.6 | 15% | 0.152 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.6 | -30.7 | -178.8 | -81.4 | 103.4 | 0 | 0 | 0 | 113.5 | Y27 R28 S33 I34 R35 E159 | Y27-W31 AromaticContact CD1-CD1 3.84Å; Y27-W31 AromaticContact CD2-CD1 3.74Å; Y27-W31 AromaticContact CD2-NE1 3.7Å; Y27-W31 AromaticContact CE1-CD1 3.49Å; Y27-W31 VanDerWaalsContact CE1-CD1 3.49Å; Y27-W31 HydrophobicContact CE1-CG 4.44Å; Y27-W31 AromaticContact CE1-NE1 3.81Å; Y27-W31 AromaticContact CE2-CD1 3.42Å; Y27-W31 VanDerWaalsContact CE2-CD1 3.42Å; Y27-W31 AromaticContact CE2-NE1 3.01Å; Y27-W31 AromaticContact CG-CD1 3.94Å; Y27-W31 AromaticContact CZ-CD1 3.27Å; Y27-W31 AromaticContact CZ-NE1 3.06Å; Y27-W31 VanDerWaalsContact O-CD1 3.27Å; Y27-W31 PolarHBondContact O-N 3.36Å; Y27-W31 PolarHBondContact OH-NE1 2.97Å; R28-W31 PolarHBondContact O-N 3.2Å; W31-S33 VanDerWaalsContact C-N 3.3Å; W31-S33 PolarHBondContact O-N 3.18Å; W31-I34 HydrophobicContact CD2-CD1 4.14Å; W31-I34 HydrophobicContact CE3-CB 4.21Å; W31-I34 HydrophobicContact CE3-CD1 4Å; W31-I34 HydrophobicContact CE3-CG2 4.06Å; W31-I34 HydrophobicContact CZ3-CD1 4.28Å; W31-I34 HydrophobicContact CZ3-CG2 4.07Å; W31-I34 PolarHBondContact O-N 2.73Å; W31-R35 VanDerWaalsContact O-CG 3.27Å; W31-R35 WeakPolarHBondContact O-CG 3.47Å; W31-R35 PolarHBondContact O-N 3.13Å; W31-E159 HydrophobicContact CZ2-CB 4.4Å; W31-E159 HydrophobicContact CZ2-CG 4.12Å; W31-E159 WeakPolarHBondContact CZ2-OE1 3.21Å |
| 32 | R | 94.4 | Very high | 89.5 | Confident | 120 Ų | 120 | 56 Ų | 56 | 45% | 0.453 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 169.6 | -168.1 | 178.5 | 71.5 | 171.4 | 9.5 | 110.9 | R28 S29 R30 R35 V36 V226 | R28-R32 WeakPolarHBondContact O-CB 3.42Å; R28-R32 PolarHBondContact O-N 3.47Å; S29-R32 PolarHBondContact O-N 3.01Å; R30-R32 VanDerWaalsContact C-N 3.31Å; R30-R32 PolarHBondContact O-N 3.15Å; R32-R35 PolarHBondContact O-N 3.14Å; R32-V36 WeakPolarHBondContact O-CG2 3.22Å; R32-V36 PolarHBondContact O-N 2.95Å; R32-V36 VanDerWaalsContact O-N 3.08Å; R32-V226 HydrophobicContact CG-CG1 3.77Å |
| 33 | S | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.8 | -39.4 | 178 | -56.8 | 0 | 0 | 0 | 0 | 112.7 | S29 R30 W31 R35 V36 M37 Y150 K228 | S29-S33 PolarHBondContact O-N 3.05Å; S29-S33 VanDerWaalsContact O-N 3.13Å; S29-S33 PolarHBondContact O-OG 3.48Å; S29-S33 VanDerWaalsContact O-OG 3.05Å; R30-S33 WeakPolarHBondContact O-CA 3.45Å; R30-S33 WeakPolarHBondContact O-CB 3.46Å; R30-S33 PolarHBondContact O-N 3.01Å; W31-S33 VanDerWaalsContact C-N 3.3Å; W31-S33 PolarHBondContact O-N 3.18Å; S33-R35 VanDerWaalsContact C-N 3.34Å; S33-R35 PolarHBondContact O-N 3.46Å; S33-V36 WeakPolarHBondContact O-CB 3.48Å; S33-V36 PolarHBondContact O-N 3.13Å; S33-M37 PolarHBondContact O-N 3.34Å; S33-M37 VanDerWaalsContact O-N 3.09Å; S33-Y150 WeakPolarHBondContact CB-OH 3.27Å; S33-K228 PolarHBondContact OG-N 3.26Å; S33-K228 PolarHBondContact OG-O 2.9Å |
| 34 | I | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.1 | -40.9 | 173.1 | -67.6 | 168.9 | 0 | 0 | 0 | 111.3 | R30 W31 V36 M37 Y38 Y150 V151 A154 T155 | R30-I34 HydrophobicContact CG-CD1 4.07Å; R30-I34 WeakPolarHBondContact O-CG1 3.3Å; R30-I34 PolarHBondContact O-N 3.35Å; W31-I34 HydrophobicContact CD2-CD1 4.14Å; W31-I34 HydrophobicContact CE3-CB 4.21Å; W31-I34 HydrophobicContact CE3-CD1 4Å; W31-I34 HydrophobicContact CE3-CG2 4.06Å; W31-I34 HydrophobicContact CZ3-CD1 4.28Å; W31-I34 HydrophobicContact CZ3-CG2 4.07Å; W31-I34 PolarHBondContact O-N 2.73Å; I34-V36 VanDerWaalsContact C-N 3.32Å; I34-V36 PolarHBondContact O-N 3.46Å; I34-M37 WeakPolarHBondContact O-CB 3.49Å; I34-M37 PolarHBondContact O-N 2.94Å; I34-M37 VanDerWaalsContact O-N 3.15Å; I34-Y38 HydrophobicContact CG2-CD1 4.37Å; I34-Y38 HydrophobicContact CG2-CE1 3.64Å; I34-Y38 HydrophobicContact CG2-CE2 3.81Å; I34-Y38 VanDerWaalsContact CG2-OH 3.29Å; I34-Y38 WeakPolarHBondContact CG2-OH 3.38Å; I34-Y38 PolarHBondContact O-N 3.47Å; I34-Y150 HydrophobicContact CG1-CE1 4.45Å; I34-V151 HydrophobicContact CG2-CG1 4.44Å; I34-V151 HydrophobicContact CG2-CG2 4.4Å; I34-A154 HydrophobicContact CD1-CB 4.26Å; I34-A154 HydrophobicContact CG1-CB 4.17Å; I34-T155 HydrophobicContact CD1-CG2 3.8Å |
| 35 | R | 95.9 | Very high | 92.8 | Very high | 173 Ų | 173 | 45.5 Ų | 45.5 | 65% | 0.653 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -65.5 | -35.1 | 176.1 | -71.7 | 172.2 | -171.2 | 176.4 | 3.8 | 112.4 | W31 R32 S33 M37 Y38 F39 | W31-R35 VanDerWaalsContact O-CG 3.27Å; W31-R35 WeakPolarHBondContact O-CG 3.47Å; W31-R35 PolarHBondContact O-N 3.13Å; R32-R35 PolarHBondContact O-N 3.14Å; S33-R35 VanDerWaalsContact C-N 3.34Å; S33-R35 PolarHBondContact O-N 3.46Å; R35-M37 VanDerWaalsContact C-N 3.32Å; R35-Y38 WeakPolarHBondContact O-CB 3.41Å; R35-Y38 PolarHBondContact O-N 3.41Å; R35-F39 PolarHBondContact O-N 2.8Å |
| 36 | V | 95.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -45.6 | 170.9 | 170.8 | 0 | 0 | 0 | 0 | 110 | R32 S33 I34 Y38 F39 T40 L222 V223 V226 | R32-V36 WeakPolarHBondContact O-CG2 3.22Å; R32-V36 PolarHBondContact O-N 2.95Å; R32-V36 VanDerWaalsContact O-N 3.08Å; S33-V36 WeakPolarHBondContact O-CB 3.48Å; S33-V36 PolarHBondContact O-N 3.13Å; I34-V36 VanDerWaalsContact C-N 3.32Å; I34-V36 PolarHBondContact O-N 3.46Å; V36-Y38 PolarHBondContact O-N 2.94Å; V36-F39 PolarHBondContact O-N 2.85Å; V36-F39 VanDerWaalsContact O-N 3.16Å; V36-T40 PolarHBondContact O-N 3.24Å; V36-T40 PolarHBondContact O-OG1 3.08Å; V36-L222 HydrophobicContact CB-CD2 4.2Å; V36-L222 HydrophobicContact CB-CG 4.42Å; V36-L222 HydrophobicContact CG1-CD2 3.71Å; V36-L222 HydrophobicContact CG1-CG 3.81Å; V36-L222 HydrophobicContact CG2-CD1 4.32Å; V36-L222 HydrophobicContact CG2-CD2 4.02Å; V36-L222 HydrophobicContact CG2-CG 3.92Å; V36-V223 HydrophobicContact CG1-CG2 4.34Å; V36-V226 HydrophobicContact CG2-CB 3.94Å; V36-V226 HydrophobicContact CG2-CG1 3.62Å |
| 37 | M | 96.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.2 | -39.6 | 175.5 | -70.6 | -52.8 | 91 | 0 | 0 | 113.4 | S33 I34 R35 F39 T40 M41 L102 V147 Y150 V151 V223 L227 | S33-M37 PolarHBondContact O-N 3.34Å; S33-M37 VanDerWaalsContact O-N 3.09Å; I34-M37 WeakPolarHBondContact O-CB 3.49Å; I34-M37 PolarHBondContact O-N 2.94Å; I34-M37 VanDerWaalsContact O-N 3.15Å; R35-M37 VanDerWaalsContact C-N 3.32Å; M37-F39 VanDerWaalsContact C-N 3.35Å; M37-T40 PolarHBondContact O-N 2.93Å; M37-M41 PolarHBondContact O-N 3.33Å; M37-L102 HydrophobicContact CE-CD2 3.56Å; M37-L102 HydrophobicContact SD-CD2 4Å; M37-V147 HydrophobicContact CB-CG1 3.96Å; M37-V147 HydrophobicContact CG-CG1 4.49Å; M37-V147 HydrophobicContact SD-CB 4.42Å; M37-V147 HydrophobicContact SD-CG1 4.32Å; M37-V147 HydrophobicContact SD-CG2 4.02Å; M37-Y150 HydrophobicContact CG-CD1 3.46Å; M37-Y150 VanDerWaalsContact CG-CD1 3.46Å; M37-Y150 HydrophobicContact CG-CE1 3.95Å; M37-Y150 HydrophobicContact CG-CG 4.12Å; M37-Y150 HydrophobicContact SD-CD1 4.23Å; M37-Y150 HydrophobicContact SD-CG 4.3Å; M37-V151 HydrophobicContact CB-CG2 3.69Å; M37-V151 HydrophobicContact CG-CG2 4.02Å; M37-V223 HydrophobicContact CE-CG2 4.42Å; M37-L227 HydrophobicContact CE-CD1 3.79Å; M37-L227 HydrophobicContact CE-CD2 4.23Å |
| 38 | Y | 96.6 | Very high | 93.9 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 8% | 0.075 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.5 | -44.3 | 173.7 | -62.3 | -18.7 | 0 | 0 | 0 | 111.9 | I34 R35 V36 M41 F42 V151 A163 N166 M167 | I34-Y38 HydrophobicContact CG2-CD1 4.37Å; I34-Y38 HydrophobicContact CG2-CE1 3.64Å; I34-Y38 HydrophobicContact CG2-CE2 3.81Å; I34-Y38 VanDerWaalsContact CG2-OH 3.29Å; I34-Y38 WeakPolarHBondContact CG2-OH 3.38Å; I34-Y38 PolarHBondContact O-N 3.47Å; R35-Y38 WeakPolarHBondContact O-CB 3.41Å; R35-Y38 PolarHBondContact O-N 3.41Å; V36-Y38 PolarHBondContact O-N 2.94Å; Y38-M41 PolarHBondContact O-N 3.49Å; Y38-F42 PolarHBondContact O-N 3.06Å; Y38-V151 HydrophobicContact CE1-CG1 4.41Å; Y38-A163 VanDerWaalsContact CE1-O 3.31Å; Y38-A163 WeakPolarHBondContact CE1-O 3.4Å; Y38-A163 WeakPolarHBondContact OH-CA 3.48Å; Y38-A163 VanDerWaalsContact OH-CB 3.32Å; Y38-A163 WeakPolarHBondContact OH-CB 3.48Å; Y38-A163 PolarHBondContact OH-O 3.19Å; Y38-N166 HydrophobicContact CE1-CB 4.45Å; Y38-N166 HydrophobicContact CE2-CB 3.89Å; Y38-M167 HydrophobicContact CD1-CB 3.8Å; Y38-M167 HydrophobicContact CD1-CG 4.27Å; Y38-M167 HydrophobicContact CE1-CB 3.83Å; Y38-M167 HydrophobicContact CE1-CE 4.48Å |
| 39 | F | 96.5 | Very high | 94 | Very high | 82 Ų | 82 | 28.5 Ų | 28.5 | 36% | 0.36 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -67.9 | -38.9 | 178.3 | -170.3 | -111.4 | 0 | 0 | 0 | 112.2 | R35 V36 M37 M41 F42 L43 L222 | R35-F39 PolarHBondContact O-N 2.8Å; V36-F39 PolarHBondContact O-N 2.85Å; V36-F39 VanDerWaalsContact O-N 3.16Å; M37-F39 VanDerWaalsContact C-N 3.35Å; F39-M41 VanDerWaalsContact C-N 3.31Å; F39-M41 PolarHBondContact O-N 2.85Å; F39-F42 HydrophobicContact CD2-CD1 4.1Å; F39-F42 HydrophobicContact CE2-CD1 4.01Å; F39-F42 HydrophobicContact CE2-CE1 4.41Å; F39-F42 WeakPolarHBondContact O-CB 3.43Å; F39-F42 PolarHBondContact O-N 2.95Å; F39-L43 HydrophobicContact CD1-CD1 3.78Å; F39-L43 HydrophobicContact CD1-CG 4.12Å; F39-L43 HydrophobicContact CE1-CD1 3.34Å; F39-L43 HydrophobicContact CE1-CD2 4.22Å; F39-L43 HydrophobicContact CE1-CG 3.82Å; F39-L43 HydrophobicContact CE2-CD2 4.23Å; F39-L43 HydrophobicContact CE2-CG 4.31Å; F39-L43 HydrophobicContact CZ-CD1 3.85Å; F39-L43 HydrophobicContact CZ-CD2 3.84Å; F39-L43 HydrophobicContact CZ-CG 3.91Å; F39-L43 WeakPolarHBondContact O-CG 3.36Å; F39-L43 PolarHBondContact O-N 3.34Å; F39-L222 HydrophobicContact CB-CD2 4.42Å; F39-L222 HydrophobicContact CD1-CD2 3.54Å; F39-L222 HydrophobicContact CE1-CD2 4.26Å; F39-L222 HydrophobicContact CG-CD2 4.39Å |
| 40 | T | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.5 | -44 | 171.4 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | V36 M37 S44 L102 V147 N219 | V36-T40 PolarHBondContact O-N 3.24Å; V36-T40 PolarHBondContact O-OG1 3.08Å; M37-T40 PolarHBondContact O-N 2.93Å; T40-S44 WeakPolarHBondContact O-CB 3.41Å; T40-S44 PolarHBondContact O-N 3.23Å; T40-S44 PolarHBondContact O-OG 3.31Å; T40-L102 HydrophobicContact CG2-CD1 4.25Å; T40-V147 HydrophobicContact CG2-CG2 3.89Å; T40-N219 WeakPolarHBondContact CB-OD1 3.28Å; T40-N219 VanDerWaalsContact CG2-ND2 3.25Å; T40-N219 WeakPolarHBondContact CG2-ND2 3.41Å; T40-N219 PolarHBondContact OG1-OD1 3.49Å |
| 41 | M | 95.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.1 | -42.6 | 176.8 | -170 | 68 | 83.5 | 0 | 0 | 111.8 | M37 Y38 F39 S44 S45 V144 V147 R148 M167 Q171 | M37-M41 PolarHBondContact O-N 3.33Å; Y38-M41 PolarHBondContact O-N 3.49Å; F39-M41 VanDerWaalsContact C-N 3.31Å; F39-M41 PolarHBondContact O-N 2.85Å; M41-S44 PolarHBondContact O-N 3.32Å; M41-S45 WeakPolarHBondContact O-CB 3.36Å; M41-S45 PolarHBondContact O-N 2.86Å; M41-S45 PolarHBondContact O-OG 3.25Å; M41-V144 HydrophobicContact CE-CB 4.45Å; M41-V144 HydrophobicContact CE-CG1 3.89Å; M41-V144 HydrophobicContact SD-CB 4.45Å; M41-V144 HydrophobicContact SD-CG1 4.16Å; M41-V144 HydrophobicContact SD-CG2 3.92Å; M41-V147 HydrophobicContact CE-CB 4.24Å; M41-V147 HydrophobicContact CE-CG1 3.84Å; M41-R148 HydrophobicContact CE-CG 4.15Å; M41-M167 HydrophobicContact CB-CG 4.24Å; M41-M167 HydrophobicContact CE-CG 3.93Å; M41-M167 HydrophobicContact CE-SD 3.44Å; M41-M167 WeakPolarHBondContact CE-SD 3.35Å; M41-M167 HydrophobicContact CG-CG 4.09Å; M41-Q171 HydrophobicContact CG-CB 3.81Å; M41-Q171 HydrophobicContact CG-CG 4.5Å |
| 42 | F | 96.3 | Very high | 93.6 | Very high | 44 Ų | 44 | 27.7 Ų | 27.7 | 19% | 0.193 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.5 | -55.7 | 174.9 | 170.5 | -103.6 | 0 | 0 | 0 | 111.6 | Y38 F39 S44 S45 V46 C170 L173 L177 | Y38-F42 PolarHBondContact O-N 3.06Å; F39-F42 HydrophobicContact CD2-CD1 4.1Å; F39-F42 HydrophobicContact CE2-CD1 4.01Å; F39-F42 HydrophobicContact CE2-CE1 4.41Å; F39-F42 WeakPolarHBondContact O-CB 3.43Å; F39-F42 PolarHBondContact O-N 2.95Å; F42-S44 VanDerWaalsContact C-N 3.32Å; F42-S44 PolarHBondContact O-N 3.47Å; F42-S45 WeakPolarHBondContact O-CB 3.3Å; F42-S45 PolarHBondContact O-N 3.46Å; F42-V46 HydrophobicContact CD2-CG2 4.3Å; F42-V46 HydrophobicContact CE1-CG2 4.07Å; F42-V46 HydrophobicContact CE2-CG2 3.84Å; F42-V46 HydrophobicContact CZ-CG2 3.71Å; F42-V46 WeakPolarHBondContact O-CG2 3.04Å; F42-V46 PolarHBondContact O-N 2.69Å; F42-C170 HydrophobicContact CB-CB 4.21Å; F42-C170 WeakPolarHBondContact CD2-O 3.33Å; F42-L173 HydrophobicContact CD2-CB 4.22Å; F42-L173 HydrophobicContact CE2-CB 4.18Å; F42-L177 HydrophobicContact CE2-CD1 3.79Å; F42-L177 HydrophobicContact CZ-CD1 3.72Å |
| 43 | L | 95.4 | Very high | 93.1 | Very high | 10 Ų | 10 | 26 Ų | 26 | 5% | 0.052 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.1 | -40.7 | -179.4 | -69.7 | -175.9 | 0 | 0 | 0 | 112.5 | F39 S45 V46 G47 F215 N219 | F39-L43 HydrophobicContact CD1-CD1 3.78Å; F39-L43 HydrophobicContact CD1-CG 4.12Å; F39-L43 HydrophobicContact CE1-CD1 3.34Å; F39-L43 HydrophobicContact CE1-CD2 4.22Å; F39-L43 HydrophobicContact CE1-CG 3.82Å; F39-L43 HydrophobicContact CE2-CD2 4.23Å; F39-L43 HydrophobicContact CE2-CG 4.31Å; F39-L43 HydrophobicContact CZ-CD1 3.85Å; F39-L43 HydrophobicContact CZ-CD2 3.84Å; F39-L43 HydrophobicContact CZ-CG 3.91Å; F39-L43 WeakPolarHBondContact O-CG 3.36Å; F39-L43 PolarHBondContact O-N 3.34Å; L43-S45 VanDerWaalsContact C-N 3.28Å; L43-S45 PolarHBondContact O-N 3.37Å; L43-V46 PolarHBondContact O-N 3.46Å; L43-G47 PolarHBondContact O-N 3.41Å; L43-F215 HydrophobicContact CB-CB 4.41Å; L43-F215 HydrophobicContact CD1-CB 4.38Å; L43-F215 HydrophobicContact CD2-CB 4.04Å; L43-F215 HydrophobicContact CD2-CD1 4.11Å; L43-F215 HydrophobicContact CD2-CD2 4.32Å; L43-F215 HydrophobicContact CD2-CG 3.91Å; L43-N219 HydrophobicContact CD1-CB 3.85Å |
| 44 | S | 92.8 | Very high | 92.7 | Very high | 24 Ų | 24 | 26.2 Ų | 26.2 | 17% | 0.168 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.4 | -36.9 | 176.6 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | T40 M41 F42 F48 N143 | T40-S44 WeakPolarHBondContact O-CB 3.41Å; T40-S44 PolarHBondContact O-N 3.23Å; T40-S44 PolarHBondContact O-OG 3.31Å; M41-S44 PolarHBondContact O-N 3.32Å; F42-S44 VanDerWaalsContact C-N 3.32Å; F42-S44 PolarHBondContact O-N 3.47Å; S44-F48 PolarHBondContact O-N 2.98Å; S44-N143 PolarHBondContact OG-ND2 3Å |
| 45 | S | 93.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -74.4 | -38 | -179.8 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | M41 F42 L43 T49 Q171 | M41-S45 WeakPolarHBondContact O-CB 3.36Å; M41-S45 PolarHBondContact O-N 2.86Å; M41-S45 PolarHBondContact O-OG 3.25Å; F42-S45 WeakPolarHBondContact O-CB 3.3Å; F42-S45 PolarHBondContact O-N 3.46Å; L43-S45 VanDerWaalsContact C-N 3.28Å; L43-S45 PolarHBondContact O-N 3.37Å; S45-T49 PolarHBondContact O-N 3.49Å; S45-T49 PolarHBondContact O-OG1 3.32Å; S45-Q171 WeakPolarHBondContact CB-O 3.5Å; S45-Q171 WeakPolarHBondContact OG-CG 3.09Å; S45-Q171 PolarHBondContact OG-NE2 2.73Å |
| 46 | V | 94.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.2 | -49.3 | 170 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | F42 L43 F48 T49 I50 G174 L181 F215 | F42-V46 HydrophobicContact CD2-CG2 4.3Å; F42-V46 HydrophobicContact CE1-CG2 4.07Å; F42-V46 HydrophobicContact CE2-CG2 3.84Å; F42-V46 HydrophobicContact CZ-CG2 3.71Å; F42-V46 WeakPolarHBondContact O-CG2 3.04Å; F42-V46 PolarHBondContact O-N 2.69Å; L43-V46 PolarHBondContact O-N 3.46Å; V46-F48 VanDerWaalsContact C-N 3.27Å; V46-F48 PolarHBondContact O-N 3.13Å; V46-T49 PolarHBondContact O-N 3.2Å; V46-T49 VanDerWaalsContact O-N 3.15Å; V46-T49 PolarHBondContact O-OG1 3.07Å; V46-I50 WeakPolarHBondContact O-CB 3.28Å; V46-I50 WeakPolarHBondContact O-CG2 3.37Å; V46-I50 PolarHBondContact O-N 3.46Å; V46-G174 WeakPolarHBondContact CA-O 3.34Å; V46-G174 VanDerWaalsContact CG2-CA 3.46Å; V46-L181 HydrophobicContact CG1-CD1 3.72Å; V46-F215 HydrophobicContact CG1-CD2 4.18Å; V46-F215 HydrophobicContact CG1-CE2 3.68Å |
| 47 | G | 91.8 | Very high | 91.4 | Very high | 7 Ų | 7 | 24.6 Ų | 24.6 | 7% | 0.072 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.4 | -35 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L43 | L43-G47 PolarHBondContact O-N 3.41Å |
| 48 | F | 88.9 | Confident | 91 | Very high | 16 Ų | 16 | 24.7 Ų | 24.7 | 7% | 0.07 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.3 | -49.2 | 172.8 | 167.9 | -117.2 | 0 | 0 | 0 | 112.5 | S44 V46 I52 Y78 F175 R454 | S44-F48 PolarHBondContact O-N 2.98Å; V46-F48 VanDerWaalsContact C-N 3.27Å; V46-F48 PolarHBondContact O-N 3.13Å; F48-I52 HydrophobicContact CE2-CD1 4.01Å; F48-I52 HydrophobicContact CE2-CG1 4.35Å; F48-I52 HydrophobicContact CZ-CD1 4.2Å; F48-I52 HydrophobicContact CZ-CG1 4.39Å; F48-I52 WeakPolarHBondContact O-CG1 3.48Å; F48-Y78 HydrophobicContact CB-CE2 4.21Å; F48-Y78 AromaticContact CD2-CD1 3.57Å; F48-Y78 HydrophobicContact CD2-CD1 3.57Å; F48-Y78 AromaticContact CD2-CD2 3.72Å; F48-Y78 HydrophobicContact CD2-CD2 3.72Å; F48-Y78 AromaticContact CD2-CE1 3.35Å; F48-Y78 HydrophobicContact CD2-CE1 3.35Å; F48-Y78 AromaticContact CD2-CE2 3.46Å; F48-Y78 HydrophobicContact CD2-CE2 3.46Å; F48-Y78 VanDerWaalsContact CD2-CE2 3.46Å; F48-Y78 AromaticContact CD2-CG 3.76Å; F48-Y78 HydrophobicContact CD2-CG 3.76Å; F48-Y78 AromaticContact CD2-CZ 3.26Å; F48-Y78 AromaticContact CE2-CD1 3.39Å; F48-Y78 HydrophobicContact CE2-CD1 3.39Å; F48-Y78 HydrophobicContact CE2-CD2 4.17Å; F48-Y78 AromaticContact CE2-CE1 3.58Å; F48-Y78 HydrophobicContact CE2-CE1 3.58Å; F48-Y78 HydrophobicContact CE2-CE2 4.27Å; F48-Y78 AromaticContact CE2-CG 3.73Å; F48-Y78 HydrophobicContact CE2-CG 3.73Å; F48-Y78 AromaticContact CE2-CZ 4Å; F48-Y78 HydrophobicContact CG-CE1 4.01Å; F48-Y78 HydrophobicContact CG-CE2 4.19Å; F48-Y78 AromaticContact CG-CZ 3.75Å; F48-Y78 HydrophobicContact CZ-CD1 4.36Å; F48-Y78 HydrophobicContact CZ-CE1 4.41Å; F48-F175 HydrophobicContact CD1-CD1 4.18Å; F48-F175 AromaticContact CD1-CE1 3.64Å; F48-F175 HydrophobicContact CD1-CE1 3.64Å; F48-F175 HydrophobicContact CD1-CZ 4.43Å; F48-F175 HydrophobicContact CE1-CE1 4.28Å; F48-R454 VanDerWaalsContact CE1-NH1 3.27Å |
| 49 | T | 90.4 | Very high | 90.6 | Very high | 15 Ų | 15 | 23.8 Ų | 23.8 | 9% | 0.092 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -84.7 | -28.6 | -168.8 | 48.7 | 0 | 0 | 0 | 0 | 114.1 | S45 V46 V51 I52 G174 F175 G178 | S45-T49 PolarHBondContact O-N 3.49Å; S45-T49 PolarHBondContact O-OG1 3.32Å; V46-T49 PolarHBondContact O-N 3.2Å; V46-T49 VanDerWaalsContact O-N 3.15Å; V46-T49 PolarHBondContact O-OG1 3.07Å; T49-V51 PolarHBondContact O-N 3.12Å; T49-V51 VanDerWaalsContact O-N 3.12Å; T49-I52 PolarHBondContact O-N 3.4Å; T49-I52 VanDerWaalsContact O-N 3.09Å; T49-G174 PolarHBondContact OG1-O 3.45Å; T49-F175 HydrophobicContact CG2-CB 4.12Å; T49-F175 HydrophobicContact CG2-CD1 3.43Å; T49-F175 VanDerWaalsContact CG2-CD1 3.43Å; T49-F175 HydrophobicContact CG2-CE1 4.18Å; T49-F175 HydrophobicContact CG2-CG 4.09Å; T49-G178 WeakPolarHBondContact OG1-CA 3.36Å |
| 50 | I | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23.3 | -178.3 | -159.1 | 178 | 0 | 0 | 0 | 113.6 | V46 G178 L181 Q182 L185 P208 L211 A212 | V46-I50 WeakPolarHBondContact O-CB 3.28Å; V46-I50 WeakPolarHBondContact O-CG2 3.37Å; V46-I50 PolarHBondContact O-N 3.46Å; I50-G178 WeakPolarHBondContact CG1-O 3.37Å; I50-L181 HydrophobicContact CD1-CB 3.85Å; I50-L181 HydrophobicContact CD1-CD1 4.44Å; I50-L181 HydrophobicContact CG1-CB 4.22Å; I50-Q182 HydrophobicContact CG1-CB 3.97Å; I50-Q182 WeakPolarHBondContact O-CB 3.46Å; I50-Q182 VanDerWaalsContact O-CG 3.25Å; I50-Q182 WeakPolarHBondContact O-CG 3.38Å; I50-Q182 PolarHBondContact O-OE1 2.69Å; I50-L185 HydrophobicContact CD1-CD1 4.13Å; I50-P208 HydrophobicContact CD1-CB 4.41Å; I50-P208 HydrophobicContact CG1-CB 4.11Å; I50-P208 HydrophobicContact CG2-CB 4.41Å; I50-L211 HydrophobicContact CD1-CD2 3.75Å; I50-L211 HydrophobicContact CD1-CG 4.39Å; I50-A212 HydrophobicContact CG2-CB 4.34Å |
| 51 | V | 89.3 | Confident | 89.7 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -12.9 | -179.7 | -174.9 | 0 | 0 | 0 | 0 | 112.2 | T49 L55 Y116 R134 P208 A209 | T49-V51 PolarHBondContact O-N 3.12Å; T49-V51 VanDerWaalsContact O-N 3.12Å; V51-L55 WeakPolarHBondContact O-CB 3.13Å; V51-L55 PolarHBondContact O-N 3.26Å; V51-Y116 HydrophobicContact CG1-CD1 4.39Å; V51-Y116 HydrophobicContact CG1-CE1 3.59Å; V51-Y116 HydrophobicContact CG1-CE2 4.19Å; V51-Y116 VanDerWaalsContact CG1-CZ 3.46Å; V51-Y116 WeakPolarHBondContact CG1-OH 3.48Å; V51-R134 PolarHBondContact O-NH2 3.16Å; V51-P208 HydrophobicContact CG2-CB 4.35Å; V51-A209 HydrophobicContact CG2-CB 4.44Å |
| 52 | I | 85.9 | Confident | 89.3 | Confident | 53 Ų | 53 | 28.2 Ų | 28.2 | 27% | 0.272 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -44.6 | -171.8 | -70.3 | -77.2 | 0 | 0 | 0 | 111.4 | F48 T49 S54 L55 R134 | F48-I52 HydrophobicContact CE2-CD1 4.01Å; F48-I52 HydrophobicContact CE2-CG1 4.35Å; F48-I52 HydrophobicContact CZ-CD1 4.2Å; F48-I52 HydrophobicContact CZ-CG1 4.39Å; F48-I52 WeakPolarHBondContact O-CG1 3.48Å; T49-I52 PolarHBondContact O-N 3.4Å; T49-I52 VanDerWaalsContact O-N 3.09Å; I52-S54 VanDerWaalsContact C-N 3.34Å; I52-S54 PolarHBondContact O-N 3.5Å; I52-L55 WeakPolarHBondContact O-CB 3.47Å; I52-L55 PolarHBondContact O-N 3.03Å; I52-R134 VanDerWaalsContact CD1-NH2 3.32Å |
| 53 | T | 83.5 | Confident | 88.8 | Confident | 86 Ų | 86 | 27.8 Ų | 27.8 | 53% | 0.528 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -24.4 | -172.4 | 142.4 | 0 | 0 | 0 | 0 | 112.4 | P179 Q182 | T53-P179 HydrophobicContact CG2-CB 4.34Å; T53-Q182 PolarHBondContact OG1-NE2 3.33Å; T53-Q182 PolarHBondContact OG1-OE1 3.05Å |
| 54 | S | 86.1 | Confident | 88.2 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -1.7 | 173.2 | 63.9 | 0 | 0 | 0 | 0 | 114.3 | I52 W56 P57 Y58 | I52-S54 VanDerWaalsContact C-N 3.34Å; I52-S54 PolarHBondContact O-N 3.5Å; S54-W56 PolarHBondContact O-N 2.89Å; S54-P57 WeakPolarHBondContact O-CD 3.12Å; S54-Y58 WeakPolarHBondContact O-CB 3.31Å; S54-Y58 PolarHBondContact O-N 3.48Å; S54-Y58 VanDerWaalsContact O-N 3.16Å |
| 55 | L | 87.7 | Confident | 87.8 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -46.4 | -171.2 | -172.4 | 62.3 | 0 | 0 | 0 | 112.8 | V51 I52 L59 L71 M74 V75 Y116 | V51-L55 WeakPolarHBondContact O-CB 3.13Å; V51-L55 PolarHBondContact O-N 3.26Å; I52-L55 WeakPolarHBondContact O-CB 3.47Å; I52-L55 PolarHBondContact O-N 3.03Å; L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 PolarHBondContact O-N 3.17Å; L55-L71 HydrophobicContact CB-CD1 4.22Å; L55-L71 HydrophobicContact CD2-CD1 3.68Å; L55-L71 HydrophobicContact CG-CD1 3.71Å; L55-M74 HydrophobicContact CD1-CE 3.5Å; L55-M74 VanDerWaalsContact CD1-CE 3.5Å; L55-M74 HydrophobicContact CD2-CB 4.2Å; L55-M74 HydrophobicContact CG-CE 4.11Å; L55-V75 HydrophobicContact CD2-CG2 3.78Å; L55-Y116 HydrophobicContact CD1-CE2 4.1Å; L55-Y116 WeakPolarHBondContact CD1-OH 3.37Å |
| 56 | W | 86.2 | Confident | 87.3 | Confident | 93 Ų | 93 | 35 Ų | 35 | 35% | 0.352 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.2 | -52 | -177 | 171.8 | -107.6 | 0 | 0 | 0 | 113 | S54 Y58 L59 Q60 D67 L71 | S54-W56 PolarHBondContact O-N 2.89Å; W56-Y58 VanDerWaalsContact C-N 3.28Å; W56-Y58 PolarHBondContact O-N 3.22Å; W56-L59 HydrophobicContact CE3-CD2 4.1Å; W56-L59 HydrophobicContact CZ3-CD2 4.16Å; W56-L59 PolarHBondContact O-N 3.42Å; W56-Q60 HydrophobicContact CD2-CG 4.17Å; W56-Q60 HydrophobicContact CE3-CG 4.48Å; W56-Q60 HydrophobicContact CH2-CG 4.37Å; W56-Q60 HydrophobicContact CZ2-CG 3.96Å; W56-Q60 VanDerWaalsContact CZ2-NE2 3.34Å; W56-Q60 WeakPolarHBondContact O-CG 3.5Å; W56-Q60 PolarHBondContact O-N 3.38Å; W56-D67 WeakPolarHBondContact CZ3-O 2.84Å; W56-L71 HydrophobicContact CB-CD1 4.03Å; W56-L71 HydrophobicContact CB-CD2 3.84Å; W56-L71 HydrophobicContact CD2-CD2 4.04Å; W56-L71 HydrophobicContact CE3-CB 3.76Å; W56-L71 HydrophobicContact CE3-CD1 4.12Å; W56-L71 HydrophobicContact CE3-CD2 3.63Å; W56-L71 HydrophobicContact CE3-CG 4.02Å; W56-L71 HydrophobicContact CG-CD2 4.19Å; W56-L71 HydrophobicContact CZ3-CB 3.96Å; W56-L71 HydrophobicContact CZ3-CD2 4.4Å |
| 57 | P | 85.7 | Confident | 86.8 | Confident | 51 Ų | 51 | 39.2 Ų | 39.2 | 33% | 0.331 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.9 | -37.9 | 175.8 | -25.3 | 34.6 | 0 | 0 | 0 | 113.3 | S54 Q60 K61 Y205 | S54-P57 WeakPolarHBondContact O-CD 3.12Å; P57-Q60 PolarHBondContact O-N 2.9Å; P57-K61 PolarHBondContact O-N 3.12Å; P57-Y205 HydrophobicContact CB-CE1 3.62Å |
| 58 | Y | 88.9 | Confident | 86.1 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.3 | -42.1 | 177.7 | -174.5 | -144.3 | 0 | 0 | 0 | 112.2 | S54 W56 Q60 K61 V62 Y116 M130 Y205 T206 | S54-Y58 WeakPolarHBondContact O-CB 3.31Å; S54-Y58 PolarHBondContact O-N 3.48Å; S54-Y58 VanDerWaalsContact O-N 3.16Å; W56-Y58 VanDerWaalsContact C-N 3.28Å; W56-Y58 PolarHBondContact O-N 3.22Å; Y58-Q60 VanDerWaalsContact C-N 3.33Å; Y58-Q60 PolarHBondContact O-N 2.91Å; Y58-K61 PolarHBondContact O-N 3.27Å; Y58-V62 HydrophobicContact CD2-CG2 3.71Å; Y58-V62 HydrophobicContact CE2-CG2 3.37Å; Y58-V62 HydrophobicContact CG-CG2 4.42Å; Y58-V62 WeakPolarHBondContact O-CB 3.29Å; Y58-V62 WeakPolarHBondContact O-CG2 3.32Å; Y58-V62 PolarHBondContact O-N 2.77Å; Y58-Y116 AromaticContact CD1-CE1 3.66Å; Y58-Y116 HydrophobicContact CD1-CE1 3.66Å; Y58-Y116 AromaticContact CD1-CZ 3.64Å; Y58-Y116 WeakPolarHBondContact CD1-OH 3.22Å; Y58-Y116 HydrophobicContact CE1-CD1 4.08Å; Y58-Y116 AromaticContact CE1-CE1 3.51Å; Y58-Y116 HydrophobicContact CE1-CE1 3.51Å; Y58-Y116 AromaticContact CE1-CZ 3.78Å; Y58-Y116 PolarHBondContact OH-O 3.21Å; Y58-M130 HydrophobicContact CD1-CE 3.16Å; Y58-M130 HydrophobicContact CD1-SD 4.37Å; Y58-M130 HydrophobicContact CE1-CE 3.52Å; Y58-M130 HydrophobicContact CE1-SD 4.34Å; Y58-M130 HydrophobicContact CG-CE 3.82Å; Y58-Y205 VanDerWaalsContact CD2-CB 3.43Å; Y58-Y205 HydrophobicContact CD2-CD2 4.17Å; Y58-Y205 AromaticContact CD2-CG 3.84Å; Y58-Y205 HydrophobicContact CD2-CG 3.84Å; Y58-Y205 HydrophobicContact CG-CD1 4.45Å; Y58-Y205 HydrophobicContact CG-CG 4.03Å; Y58-T206 HydrophobicContact CE2-CG2 4.41Å |
| 59 | L | 88.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 174.6 | 176.2 | 63.6 | 0 | 0 | 0 | 111.2 | L55 W56 K61 V62 D63 A66 F70 L71 M74 K127 M130 | L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 PolarHBondContact O-N 3.17Å; W56-L59 HydrophobicContact CE3-CD2 4.1Å; W56-L59 HydrophobicContact CZ3-CD2 4.16Å; W56-L59 PolarHBondContact O-N 3.42Å; L59-K61 VanDerWaalsContact C-N 3.3Å; L59-K61 PolarHBondContact O-N 3.34Å; L59-V62 PolarHBondContact O-N 3.43Å; L59-D63 CarbonylContact O-C 3.54Å; L59-D63 PolarHBondContact O-N 3.23Å; L59-A66 HydrophobicContact CD1-CB 3.8Å; L59-A66 HydrophobicContact CD2-CB 3.74Å; L59-A66 HydrophobicContact CG-CB 3.6Å; L59-F70 HydrophobicContact CD1-CD1 4.02Å; L59-F70 HydrophobicContact CD1-CE1 4.13Å; L59-F70 HydrophobicContact CD2-CD1 4.05Å; L59-L71 HydrophobicContact CD2-CB 4.28Å; L59-L71 HydrophobicContact CD2-CD1 4.47Å; L59-M74 HydrophobicContact CB-SD 4.38Å; L59-M74 HydrophobicContact CD1-CE 4.37Å; L59-M74 HydrophobicContact CD1-SD 3.66Å; L59-M74 HydrophobicContact CD2-SD 3.6Å; L59-M74 VanDerWaalsContact CD2-SD 3.6Å; L59-M74 HydrophobicContact CG-SD 4.06Å; L59-K127 HydrophobicContact CD1-CB 3.97Å; L59-M130 HydrophobicContact CB-CE 4.38Å; L59-M130 HydrophobicContact CD1-SD 4.14Å |
| 60 | Q | 87.3 | Confident | 85.7 | Confident | 59 Ų | 59 | 45.3 Ų | 45.3 | 28% | 0.276 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -35.9 | 177.5 | -71 | -61.7 | -43.9 | 0 | 0 | 112.9 | W56 P57 Y58 D63 S64 A66 | W56-Q60 HydrophobicContact CD2-CG 4.17Å; W56-Q60 HydrophobicContact CE3-CG 4.48Å; W56-Q60 HydrophobicContact CH2-CG 4.37Å; W56-Q60 HydrophobicContact CZ2-CG 3.96Å; W56-Q60 VanDerWaalsContact CZ2-NE2 3.34Å; W56-Q60 WeakPolarHBondContact O-CG 3.5Å; W56-Q60 PolarHBondContact O-N 3.38Å; P57-Q60 PolarHBondContact O-N 2.9Å; Y58-Q60 VanDerWaalsContact C-N 3.33Å; Y58-Q60 PolarHBondContact O-N 2.91Å; Q60-D63 CarbonylContact O-C 3.57Å; Q60-S64 PolarHBondContact O-N 3.39Å; Q60-A66 PolarHBondContact NE2-O 2.7Å |
| 61 | K | 85.7 | Confident | 85.3 | Confident | 96 Ų | 96 | 47.2 Ų | 47.2 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69 | -36.2 | 175.7 | -176.8 | 171.4 | -179.6 | 170.8 | 0 | 112.6 | P57 Y58 L59 E190 Y205 | P57-K61 PolarHBondContact O-N 3.12Å; Y58-K61 PolarHBondContact O-N 3.27Å; L59-K61 VanDerWaalsContact C-N 3.3Å; L59-K61 PolarHBondContact O-N 3.34Å; K61-E190 PolarHBondContact NZ-O 3.27Å; K61-Y205 HydrophobicContact CD-CD2 3.89Å; K61-Y205 HydrophobicContact CD-CE2 3.68Å |
| 62 | V | 86.3 | Confident | 85.1 | Confident | 23 Ų | 23 | 49 Ų | 49 | 14% | 0.139 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -82.2 | -36.9 | -177.8 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | Y58 L59 N126 M130 | Y58-V62 HydrophobicContact CD2-CG2 3.71Å; Y58-V62 HydrophobicContact CE2-CG2 3.37Å; Y58-V62 HydrophobicContact CG-CG2 4.42Å; Y58-V62 WeakPolarHBondContact O-CB 3.29Å; Y58-V62 WeakPolarHBondContact O-CG2 3.32Å; Y58-V62 PolarHBondContact O-N 2.77Å; L59-V62 PolarHBondContact O-N 3.43Å; V62-N126 HydrophobicContact CG1-CB 3.28Å; V62-M130 HydrophobicContact CB-SD 3.71Å; V62-M130 HydrophobicContact CG1-CG 4.41Å; V62-M130 HydrophobicContact CG1-SD 3.73Å; V62-M130 HydrophobicContact CG2-SD 3.86Å |
| 63 | D | 85.9 | Confident | 85.2 | Confident | 34 Ų | 34 | 53.9 Ų | 53.9 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | trans | -151.4 | 102.7 | 178.4 | -171.1 | -20.6 | 0 | 0 | 0 | 110.2 | L59 Q60 S65 A66 K127 | L59-D63 CarbonylContact O-C 3.54Å; L59-D63 PolarHBondContact O-N 3.23Å; Q60-D63 CarbonylContact O-C 3.57Å; D63-S65 PolarHBondContact O-N 3.16Å; D63-S65 WeakPolarHBondContact OD1-CA 3.24Å; D63-S65 VanDerWaalsContact OD1-CB 3.24Å; D63-S65 WeakPolarHBondContact OD1-CB 3.46Å; D63-S65 PolarHBondContact OD1-N 3.28Å; D63-S65 PolarHBondContact OD1-OG 3Å; D63-S65 PolarHBondContact OD2-OG 3.41Å; D63-A66 WeakPolarHBondContact O-CB 3.39Å; D63-A66 PolarHBondContact O-N 3.02Å; D63-K127 HydrophobicContact CB-CB 4.05Å; D63-K127 VanDerWaalsContact OD2-CD 3.25Å; D63-K127 WeakPolarHBondContact OD2-CD 3.33Å; D63-K127 WeakPolarHBondContact OD2-CG 3.4Å; D63-K127 IonicContact OD2-NZ 3.85Å | ||
| 64 | S | 83.1 | Confident | 85.5 | Confident | 104 Ų | 104 | 49.8 Ų | 49.8 | 73% | 0.727 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -8.1 | 179.6 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | Q60 A66 | Q60-S64 PolarHBondContact O-N 3.39Å; S64-A66 VanDerWaalsContact C-N 3.3Å |
| 65 | S | 84.7 | Confident | 85.5 | Confident | 78 Ų | 78 | 52.5 Ų | 52.5 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -7.9 | 174.3 | 77.3 | 0 | 0 | 0 | 0 | 113.2 | D63 K127 | D63-S65 PolarHBondContact O-N 3.16Å; D63-S65 WeakPolarHBondContact OD1-CA 3.24Å; D63-S65 VanDerWaalsContact OD1-CB 3.24Å; D63-S65 WeakPolarHBondContact OD1-CB 3.46Å; D63-S65 PolarHBondContact OD1-N 3.28Å; D63-S65 PolarHBondContact OD1-OG 3Å; D63-S65 PolarHBondContact OD2-OG 3.41Å; S65-K127 PolarHBondContact OG-NZ 3.15Å; S65-K127 VanDerWaalsContact OG-NZ 3.12Å |
| 66 | A | 83.1 | Confident | 85.6 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | trans | -73.2 | 137.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L59 Q60 D63 S64 | L59-A66 HydrophobicContact CD1-CB 3.8Å; L59-A66 HydrophobicContact CD2-CB 3.74Å; L59-A66 HydrophobicContact CG-CB 3.6Å; Q60-A66 PolarHBondContact NE2-O 2.7Å; D63-A66 WeakPolarHBondContact O-CB 3.39Å; D63-A66 PolarHBondContact O-N 3.02Å; S64-A66 VanDerWaalsContact C-N 3.3Å | ||
| 67 | D | 83.4 | Confident | 85.9 | Confident | 90 Ų | 90 | 49.2 Ų | 49.2 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | trans | -107.7 | 175.3 | 179.6 | 69 | -11.5 | 0 | 0 | 0 | 111.7 | W56 S69 F70 L71 | W56-D67 WeakPolarHBondContact CZ3-O 2.84Å; D67-S69 PolarHBondContact O-N 3.09Å; D67-S69 PolarHBondContact OD1-N 3.4Å; D67-S69 WeakPolarHBondContact OD2-CB 3.44Å; D67-F70 PolarHBondContact O-N 2.82Å; D67-F70 WeakPolarHBondContact OD1-CB 3.44Å; D67-F70 PolarHBondContact OD1-N 3.22Å; D67-L71 PolarHBondContact O-N 3.03Å | ||
| 68 | A | 77.1 | Confident | 86.3 | Confident | 73 Ų | 73 | 47.2 Ų | 47.2 | 60% | 0.603 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.2 | -28.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L71 G72 | A68-L71 WeakPolarHBondContact O-CB 3.23Å; A68-L71 PolarHBondContact O-N 3.31Å; A68-G72 PolarHBondContact O-N 3.41Å; A68-G72 VanDerWaalsContact O-N 3.07Å |
| 69 | S | 82.6 | Confident | 86.5 | Confident | 71 Ų | 71 | 47.3 Ų | 47.3 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 174.5 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | D67 L71 G72 W73 | D67-S69 PolarHBondContact O-N 3.09Å; D67-S69 PolarHBondContact OD1-N 3.4Å; D67-S69 WeakPolarHBondContact OD2-CB 3.44Å; S69-L71 VanDerWaalsContact C-N 3.34Å; S69-L71 PolarHBondContact O-N 3.48Å; S69-G72 WeakPolarHBondContact O-CA 3.42Å; S69-G72 PolarHBondContact O-N 2.91Å; S69-G72 VanDerWaalsContact O-N 3.07Å; S69-W73 VanDerWaalsContact O-CD1 3.31Å; S69-W73 PolarHBondContact O-N 2.81Å |
| 70 | F | 86.9 | Confident | 86.8 | Confident | 22 Ų | 22 | 50.2 Ų | 50.2 | 10% | 0.096 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 177.1 | -164 | -90.1 | 0 | 0 | 0 | 112.5 | L59 D67 G72 W73 M74 K127 Y128 L131 | L59-F70 HydrophobicContact CD1-CD1 4.02Å; L59-F70 HydrophobicContact CD1-CE1 4.13Å; L59-F70 HydrophobicContact CD2-CD1 4.05Å; D67-F70 PolarHBondContact O-N 2.82Å; D67-F70 WeakPolarHBondContact OD1-CB 3.44Å; D67-F70 PolarHBondContact OD1-N 3.22Å; F70-G72 VanDerWaalsContact C-N 3.28Å; F70-G72 PolarHBondContact O-N 2.95Å; F70-W73 WeakPolarHBondContact O-CB 3.43Å; F70-W73 PolarHBondContact O-N 2.7Å; F70-M74 HydrophobicContact CD1-CG 3.95Å; F70-M74 HydrophobicContact CD1-SD 3.76Å; F70-M74 HydrophobicContact CE1-CG 3.76Å; F70-M74 HydrophobicContact CE1-SD 3.71Å; F70-M74 WeakPolarHBondContact O-CG 3.45Å; F70-M74 PolarHBondContact O-N 2.66Å; F70-K127 HydrophobicContact CD1-CB 4.23Å; F70-K127 HydrophobicContact CD2-CD 4.28Å; F70-K127 HydrophobicContact CE1-CB 3.55Å; F70-K127 HydrophobicContact CE1-CD 4.32Å; F70-K127 HydrophobicContact CE1-CG 4.05Å; F70-K127 VanDerWaalsContact CE1-O 3.31Å; F70-K127 WeakPolarHBondContact CE1-O 3.29Å; F70-K127 HydrophobicContact CE2-CD 4.07Å; F70-K127 HydrophobicContact CE2-CG 4.13Å; F70-K127 HydrophobicContact CG-CD 4.49Å; F70-K127 HydrophobicContact CZ-CB 3.72Å; F70-K127 HydrophobicContact CZ-CD 4.09Å; F70-K127 HydrophobicContact CZ-CG 3.72Å; F70-K127 VanDerWaalsContact CZ-O 3.3Å; F70-K127 WeakPolarHBondContact CZ-O 3.44Å; F70-Y128 HydrophobicContact CE2-CD1 4.18Å; F70-Y128 AromaticContact CE2-CE1 3.97Å; F70-Y128 HydrophobicContact CE2-CE1 3.97Å; F70-Y128 HydrophobicContact CZ-CD1 4.28Å; F70-L131 HydrophobicContact CE1-CB 4.4Å; F70-L131 HydrophobicContact CE2-CD2 4.35Å; F70-L131 HydrophobicContact CZ-CB 4.01Å; F70-L131 HydrophobicContact CZ-CD2 4.13Å |
| 71 | L | 84.9 | Confident | 87.2 | Confident | 39 Ų | 39 | 48 Ų | 48 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.9 | -43.1 | 171.2 | 179.5 | 69.5 | 0 | 0 | 0 | 111.4 | L55 W56 L59 D67 A68 S69 W73 M74 V75 | L55-L71 HydrophobicContact CB-CD1 4.22Å; L55-L71 HydrophobicContact CD2-CD1 3.68Å; L55-L71 HydrophobicContact CG-CD1 3.71Å; W56-L71 HydrophobicContact CB-CD1 4.03Å; W56-L71 HydrophobicContact CB-CD2 3.84Å; W56-L71 HydrophobicContact CD2-CD2 4.04Å; W56-L71 HydrophobicContact CE3-CB 3.76Å; W56-L71 HydrophobicContact CE3-CD1 4.12Å; W56-L71 HydrophobicContact CE3-CD2 3.63Å; W56-L71 HydrophobicContact CE3-CG 4.02Å; W56-L71 HydrophobicContact CG-CD2 4.19Å; W56-L71 HydrophobicContact CZ3-CB 3.96Å; W56-L71 HydrophobicContact CZ3-CD2 4.4Å; L59-L71 HydrophobicContact CD2-CB 4.28Å; L59-L71 HydrophobicContact CD2-CD1 4.47Å; D67-L71 PolarHBondContact O-N 3.03Å; A68-L71 WeakPolarHBondContact O-CB 3.23Å; A68-L71 PolarHBondContact O-N 3.31Å; S69-L71 VanDerWaalsContact C-N 3.34Å; S69-L71 PolarHBondContact O-N 3.48Å; L71-W73 VanDerWaalsContact C-N 3.34Å; L71-W73 PolarHBondContact O-N 2.9Å; L71-M74 WeakPolarHBondContact O-CB 3.44Å; L71-M74 PolarHBondContact O-N 3.28Å; L71-M74 VanDerWaalsContact O-N 3.12Å; L71-V75 WeakPolarHBondContact O-CG2 3.5Å; L71-V75 PolarHBondContact O-N 3.32Å |
| 72 | G | 83.9 | Confident | 87.7 | Confident | 42 Ų | 42 | 44 Ų | 44 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.7 | -46.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A68 S69 F70 M74 V75 A76 | A68-G72 PolarHBondContact O-N 3.41Å; A68-G72 VanDerWaalsContact O-N 3.07Å; S69-G72 WeakPolarHBondContact O-CA 3.42Å; S69-G72 PolarHBondContact O-N 2.91Å; S69-G72 VanDerWaalsContact O-N 3.07Å; F70-G72 VanDerWaalsContact C-N 3.28Å; F70-G72 PolarHBondContact O-N 2.95Å; G72-M74 VanDerWaalsContact C-N 3.31Å; G72-M74 PolarHBondContact O-N 3.34Å; G72-V75 PolarHBondContact O-N 2.74Å; G72-A76 WeakPolarHBondContact O-CB 3.39Å; G72-A76 PolarHBondContact O-N 3.36Å |
| 73 | W | 89.1 | Confident | 88.2 | Confident | 155 Ų | 155 | 45.9 Ų | 45.9 | 59% | 0.587 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.8 | -36.9 | 174.1 | -77.3 | 107.5 | 0 | 0 | 0 | 113.1 | S69 F70 L71 A76 A77 L131 | S69-W73 VanDerWaalsContact O-CD1 3.31Å; S69-W73 PolarHBondContact O-N 2.81Å; F70-W73 WeakPolarHBondContact O-CB 3.43Å; F70-W73 PolarHBondContact O-N 2.7Å; L71-W73 VanDerWaalsContact C-N 3.34Å; L71-W73 PolarHBondContact O-N 2.9Å; W73-A76 PolarHBondContact O-N 3.03Å; W73-A77 VanDerWaalsContact O-CB 3.31Å; W73-A77 WeakPolarHBondContact O-CB 3.41Å; W73-A77 PolarHBondContact O-N 3.29Å; W73-L131 HydrophobicContact CB-CD1 4.29Å; W73-L131 WeakPolarHBondContact O-CD1 3.47Å |
| 74 | M | 88 | Confident | 88.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 176.7 | -70.8 | 175.1 | 71.6 | 0 | 0 | 113.4 | L55 L59 F70 L71 G72 M130 L131 | L55-M74 HydrophobicContact CD1-CE 3.5Å; L55-M74 VanDerWaalsContact CD1-CE 3.5Å; L55-M74 HydrophobicContact CD2-CB 4.2Å; L55-M74 HydrophobicContact CG-CE 4.11Å; L59-M74 HydrophobicContact CB-SD 4.38Å; L59-M74 HydrophobicContact CD1-CE 4.37Å; L59-M74 HydrophobicContact CD1-SD 3.66Å; L59-M74 HydrophobicContact CD2-SD 3.6Å; L59-M74 VanDerWaalsContact CD2-SD 3.6Å; L59-M74 HydrophobicContact CG-SD 4.06Å; F70-M74 HydrophobicContact CD1-CG 3.95Å; F70-M74 HydrophobicContact CD1-SD 3.76Å; F70-M74 HydrophobicContact CE1-CG 3.76Å; F70-M74 HydrophobicContact CE1-SD 3.71Å; F70-M74 WeakPolarHBondContact O-CG 3.45Å; F70-M74 PolarHBondContact O-N 2.66Å; L71-M74 WeakPolarHBondContact O-CB 3.44Å; L71-M74 PolarHBondContact O-N 3.28Å; L71-M74 VanDerWaalsContact O-N 3.12Å; G72-M74 VanDerWaalsContact C-N 3.31Å; G72-M74 PolarHBondContact O-N 3.34Å; M74-M130 HydrophobicContact CE-CB 3.67Å; M74-M130 HydrophobicContact CE-CE 3.82Å; M74-L131 HydrophobicContact CB-CD1 4.37Å; M74-L131 HydrophobicContact CG-CB 4.4Å; M74-L131 HydrophobicContact CG-CD1 3.9Å |
| 75 | V | 86.6 | Confident | 89.3 | Confident | 60 Ų | 60 | 43.2 Ų | 43.2 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 174.2 | 176.4 | 0 | 0 | 0 | 0 | 109.9 | L55 L71 G72 A77 | L55-V75 HydrophobicContact CD2-CG2 3.78Å; L71-V75 WeakPolarHBondContact O-CG2 3.5Å; L71-V75 PolarHBondContact O-N 3.32Å; G72-V75 PolarHBondContact O-N 2.74Å; V75-A77 PolarHBondContact O-N 2.66Å |
| 76 | A | 89.7 | Confident | 89.8 | Confident | 16 Ų | 16 | 39.5 Ų | 39.5 | 13% | 0.132 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -36.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G72 W73 Y78 S79 L80 T455 | G72-A76 WeakPolarHBondContact O-CB 3.39Å; G72-A76 PolarHBondContact O-N 3.36Å; W73-A76 PolarHBondContact O-N 3.03Å; A76-Y78 VanDerWaalsContact C-N 3.25Å; A76-Y78 PolarHBondContact O-N 2.84Å; A76-S79 PolarHBondContact O-N 2.99Å; A76-L80 WeakPolarHBondContact O-CG 3.41Å; A76-L80 PolarHBondContact O-N 3.24Å; A76-T455 HydrophobicContact CB-CG2 4.13Å |
| 77 | A | 93.7 | Very high | 90.4 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.2 | -37.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | W73 V75 G81 L131 R134 A135 | W73-A77 VanDerWaalsContact O-CB 3.31Å; W73-A77 WeakPolarHBondContact O-CB 3.41Å; W73-A77 PolarHBondContact O-N 3.29Å; V75-A77 PolarHBondContact O-N 2.66Å; A77-G81 PolarHBondContact O-N 3.3Å; A77-L131 HydrophobicContact CB-CD1 3.65Å; A77-L131 HydrophobicContact CB-CG 4.48Å; A77-R134 HydrophobicContact CB-CB 4.37Å; A77-A135 HydrophobicContact CB-CB 4.25Å |
| 78 | Y | 93.3 | Very high | 91 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 4% | 0.039 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.3 | -50.3 | 173.2 | 176.2 | -82.8 | 0 | 0 | 0 | 111.3 | F48 A76 L80 G81 Q82 V137 G138 A141 | F48-Y78 HydrophobicContact CB-CE2 4.21Å; F48-Y78 AromaticContact CD2-CD1 3.57Å; F48-Y78 HydrophobicContact CD2-CD1 3.57Å; F48-Y78 AromaticContact CD2-CD2 3.72Å; F48-Y78 HydrophobicContact CD2-CD2 3.72Å; F48-Y78 AromaticContact CD2-CE1 3.35Å; F48-Y78 HydrophobicContact CD2-CE1 3.35Å; F48-Y78 AromaticContact CD2-CE2 3.46Å; F48-Y78 HydrophobicContact CD2-CE2 3.46Å; F48-Y78 VanDerWaalsContact CD2-CE2 3.46Å; F48-Y78 AromaticContact CD2-CG 3.76Å; F48-Y78 HydrophobicContact CD2-CG 3.76Å; F48-Y78 AromaticContact CD2-CZ 3.26Å; F48-Y78 AromaticContact CE2-CD1 3.39Å; F48-Y78 HydrophobicContact CE2-CD1 3.39Å; F48-Y78 HydrophobicContact CE2-CD2 4.17Å; F48-Y78 AromaticContact CE2-CE1 3.58Å; F48-Y78 HydrophobicContact CE2-CE1 3.58Å; F48-Y78 HydrophobicContact CE2-CE2 4.27Å; F48-Y78 AromaticContact CE2-CG 3.73Å; F48-Y78 HydrophobicContact CE2-CG 3.73Å; F48-Y78 AromaticContact CE2-CZ 4Å; F48-Y78 HydrophobicContact CG-CE1 4.01Å; F48-Y78 HydrophobicContact CG-CE2 4.19Å; F48-Y78 AromaticContact CG-CZ 3.75Å; F48-Y78 HydrophobicContact CZ-CD1 4.36Å; F48-Y78 HydrophobicContact CZ-CE1 4.41Å; A76-Y78 VanDerWaalsContact C-N 3.25Å; A76-Y78 PolarHBondContact O-N 2.84Å; Y78-L80 PolarHBondContact O-N 2.9Å; Y78-G81 PolarHBondContact O-N 3.41Å; Y78-Q82 PolarHBondContact O-N 3.45Å; Y78-V137 HydrophobicContact CD2-CB 4.4Å; Y78-V137 HydrophobicContact CD2-CG1 3.97Å; Y78-V137 HydrophobicContact CE2-CG1 3.84Å; Y78-G138 WeakPolarHBondContact O-CA 3.21Å; Y78-A141 HydrophobicContact CE1-CB 4.29Å; Y78-A141 HydrophobicContact CE2-CB 4.03Å; Y78-A141 WeakPolarHBondContact OH-CB 3.18Å |
| 79 | S | 93.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 4% | 0.035 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -39.3 | -178.8 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | A76 Q82 M83 S451 T455 | A76-S79 PolarHBondContact O-N 2.99Å; S79-Q82 PolarHBondContact O-N 3.23Å; S79-M83 WeakPolarHBondContact O-CB 3.14Å; S79-M83 PolarHBondContact O-N 2.69Å; S79-S451 WeakPolarHBondContact O-CB 3.17Å; S79-T455 WeakPolarHBondContact CB-OG1 3.4Å |
| 80 | L | 94.5 | Very high | 92.3 | Very high | 62 Ų | 62 | 34 Ų | 34 | 33% | 0.325 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.3 | -46 | 174.3 | -72.3 | 174 | 0 | 0 | 0 | 112.1 | A76 Y78 Q82 M83 V84 T455 | A76-L80 WeakPolarHBondContact O-CG 3.41Å; A76-L80 PolarHBondContact O-N 3.24Å; Y78-L80 PolarHBondContact O-N 2.9Å; L80-Q82 VanDerWaalsContact C-N 3.32Å; L80-Q82 PolarHBondContact O-N 3.3Å; L80-M83 HydrophobicContact CD2-CE 3.73Å; L80-M83 WeakPolarHBondContact O-CB 3.43Å; L80-M83 PolarHBondContact O-N 3.47Å; L80-V84 PolarHBondContact O-N 3.42Å; L80-V84 VanDerWaalsContact O-N 3.13Å; L80-T455 HydrophobicContact CD2-CG2 3.95Å; L80-T455 HydrophobicContact CG-CG2 4.05Å |
| 81 | G | 95.8 | Very high | 92.6 | Very high | 11 Ų | 11 | 37 Ų | 37 | 11% | 0.113 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.5 | -45.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A77 Y78 M83 V84 A85 G138 | A77-G81 PolarHBondContact O-N 3.3Å; Y78-G81 PolarHBondContact O-N 3.41Å; G81-M83 PolarHBondContact O-N 2.85Å; G81-V84 PolarHBondContact O-N 2.9Å; G81-A85 VanDerWaalsContact O-CB 3.23Å; G81-A85 WeakPolarHBondContact O-CB 3.38Å; G81-A85 PolarHBondContact O-N 3.16Å; G81-G138 CarbonylContact C-O 3.36Å |
| 82 | Q | 96.3 | Very high | 92.9 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.6 | -38.4 | 177.8 | -173.2 | 178.2 | 2 | 0 | 0 | 112.1 | Y78 S79 L80 V84 A85 S86 G138 A141 T447 S451 | Y78-Q82 PolarHBondContact O-N 3.45Å; S79-Q82 PolarHBondContact O-N 3.23Å; L80-Q82 VanDerWaalsContact C-N 3.32Å; L80-Q82 PolarHBondContact O-N 3.3Å; Q82-V84 VanDerWaalsContact C-N 3.34Å; Q82-V84 PolarHBondContact O-N 3.18Å; Q82-A85 PolarHBondContact O-N 3.29Å; Q82-S86 VanDerWaalsContact O-CB 3.3Å; Q82-S86 WeakPolarHBondContact O-CB 3.32Å; Q82-S86 PolarHBondContact O-N 2.82Å; Q82-S86 PolarHBondContact O-OG 3.35Å; Q82-G138 WeakPolarHBondContact CA-O 3.44Å; Q82-G138 WeakPolarHBondContact CB-O 3.46Å; Q82-G138 PolarHBondContact N-O 3Å; Q82-G138 VanDerWaalsContact N-O 3.14Å; Q82-A141 HydrophobicContact CB-CB 4.36Å; Q82-A141 HydrophobicContact CG-CB 4.14Å; Q82-A141 PolarHBondContact NE2-O 2.94Å; Q82-T447 HydrophobicContact CG-CG2 4.49Å; Q82-S451 WeakPolarHBondContact CG-OG 3.24Å; Q82-S451 PolarHBondContact OE1-OG 3.23Å |
| 83 | M | 95.1 | Very high | 93.1 | Very high | 64 Ų | 64 | 37.9 Ų | 37.9 | 32% | 0.315 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.3 | -43.7 | 179 | -176 | 177.4 | 72.2 | 0 | 0 | 111.6 | S79 L80 G81 P87 A448 | S79-M83 WeakPolarHBondContact O-CB 3.14Å; S79-M83 PolarHBondContact O-N 2.69Å; L80-M83 HydrophobicContact CD2-CE 3.73Å; L80-M83 WeakPolarHBondContact O-CB 3.43Å; L80-M83 PolarHBondContact O-N 3.47Å; G81-M83 PolarHBondContact O-N 2.85Å; M83-P87 WeakPolarHBondContact O-CD 3.12Å; M83-A448 HydrophobicContact CG-CB 4.05Å; M83-A448 WeakPolarHBondContact O-CB 3.45Å |
| 84 | V | 96.3 | Very high | 93 | Very high | 82 Ų | 82 | 32.6 Ų | 32.6 | 50% | 0.497 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -74 | -41.6 | 177.6 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | L80 G81 Q82 P87 L88 F139 | L80-V84 PolarHBondContact O-N 3.42Å; L80-V84 VanDerWaalsContact O-N 3.13Å; G81-V84 PolarHBondContact O-N 2.9Å; Q82-V84 VanDerWaalsContact C-N 3.34Å; Q82-V84 PolarHBondContact O-N 3.18Å; V84-P87 WeakPolarHBondContact O-CD 3.19Å; V84-L88 HydrophobicContact CG1-CD1 4.13Å; V84-L88 WeakPolarHBondContact O-CG 3.31Å; V84-F139 HydrophobicContact CG1-CE2 4.49Å |
| 85 | A | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72 | -32.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G81 Q82 L88 F89 F139 | G81-A85 VanDerWaalsContact O-CB 3.23Å; G81-A85 WeakPolarHBondContact O-CB 3.38Å; G81-A85 PolarHBondContact O-N 3.16Å; Q82-A85 PolarHBondContact O-N 3.29Å; A85-L88 PolarHBondContact O-N 3.09Å; A85-F89 HydrophobicContact CB-CD2 3.91Å; A85-F89 HydrophobicContact CB-CE2 3.94Å; A85-F89 VanDerWaalsContact O-CD2 3.3Å; A85-F89 WeakPolarHBondContact O-CD2 3.16Å; A85-F89 PolarHBondContact O-N 3.11Å; A85-F139 HydrophobicContact CB-CB 4.35Å; A85-F139 HydrophobicContact CB-CD1 4.15Å; A85-F139 HydrophobicContact CB-CD2 3.71Å; A85-F139 HydrophobicContact CB-CE1 4.38Å; A85-F139 HydrophobicContact CB-CE2 3.95Å; A85-F139 HydrophobicContact CB-CG 3.82Å; A85-F139 HydrophobicContact CB-CZ 4.28Å; A85-F139 WeakPolarHBondContact CB-O 3.33Å |
| 86 | S | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -47.2 | -172.5 | -61.5 | 0 | 0 | 0 | 0 | 113.3 | Q82 G90 G444 T447 | Q82-S86 VanDerWaalsContact O-CB 3.3Å; Q82-S86 WeakPolarHBondContact O-CB 3.32Å; Q82-S86 PolarHBondContact O-N 2.82Å; Q82-S86 PolarHBondContact O-OG 3.35Å; S86-G90 PolarHBondContact O-N 2.84Å; S86-G444 WeakPolarHBondContact CB-O 3.07Å; S86-G444 VanDerWaalsContact O-CA 3.29Å; S86-G444 WeakPolarHBondContact O-CA 3.47Å; S86-T447 VanDerWaalsContact OG-CG2 3.27Å; S86-T447 WeakPolarHBondContact OG-CG2 3.46Å |
| 87 | P | 95.1 | Very high | 92.2 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.7 | -35.4 | 174.4 | -20.8 | 34.6 | 0 | 0 | 0 | 112.9 | M83 V84 G90 L91 W445 A448 | M83-P87 WeakPolarHBondContact O-CD 3.12Å; V84-P87 WeakPolarHBondContact O-CD 3.19Å; P87-G90 PolarHBondContact O-N 3.11Å; P87-L91 WeakPolarHBondContact O-CB 3.3Å; P87-L91 PolarHBondContact O-N 2.84Å; P87-W445 HydrophobicContact CG-CD2 4.37Å; P87-W445 HydrophobicContact CG-CE3 4.37Å; P87-A448 HydrophobicContact CG-CB 3.94Å |
| 88 | L | 96 | Very high | 91.8 | Very high | 92 Ų | 92 | 47 Ų | 47 | 48% | 0.482 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.4 | -52.3 | -179.8 | -65.2 | 175.1 | 0 | 0 | 0 | 111.9 | V84 A85 G90 L91 W92 F139 | V84-L88 HydrophobicContact CG1-CD1 4.13Å; V84-L88 WeakPolarHBondContact O-CG 3.31Å; A85-L88 PolarHBondContact O-N 3.09Å; L88-G90 VanDerWaalsContact C-N 3.29Å; L88-G90 PolarHBondContact O-N 3.3Å; L88-L91 PolarHBondContact O-N 3.41Å; L88-W92 PolarHBondContact O-N 2.96Å; L88-F139 HydrophobicContact CD1-CE2 4.21Å; L88-F139 HydrophobicContact CD1-CZ 4.19Å |
| 89 | F | 95.6 | Very high | 91.6 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.5 | -33.1 | 175.8 | -73.5 | -64.7 | 0 | 0 | 0 | 111.8 | A85 W92 S93 P101 C104 I108 F139 V146 | A85-F89 HydrophobicContact CB-CD2 3.91Å; A85-F89 HydrophobicContact CB-CE2 3.94Å; A85-F89 VanDerWaalsContact O-CD2 3.3Å; A85-F89 WeakPolarHBondContact O-CD2 3.16Å; A85-F89 PolarHBondContact O-N 3.11Å; F89-W92 AromaticContact CD1-CE3 3.94Å; F89-W92 HydrophobicContact CD1-CE3 3.94Å; F89-W92 HydrophobicContact CD1-CZ3 4.37Å; F89-W92 HydrophobicContact CE1-CE3 4.02Å; F89-W92 AromaticContact CE1-CZ3 3.99Å; F89-W92 HydrophobicContact CE1-CZ3 3.99Å; F89-W92 PolarHBondContact O-N 2.85Å; F89-S93 WeakPolarHBondContact O-CB 3.42Å; F89-S93 PolarHBondContact O-N 3.47Å; F89-S93 PolarHBondContact O-OG 3.31Å; F89-P101 HydrophobicContact CD1-CB 3.83Å; F89-C104 HydrophobicContact CE1-CB 4.43Å; F89-I108 HydrophobicContact CZ-CD1 4Å; F89-F139 AromaticContact CE2-CD1 3.96Å; F89-F139 HydrophobicContact CE2-CD1 3.96Å; F89-F139 AromaticContact CE2-CE1 3.67Å; F89-F139 HydrophobicContact CE2-CE1 3.67Å; F89-F139 HydrophobicContact CE2-CZ 4.4Å; F89-F139 HydrophobicContact CZ-CD1 4.31Å; F89-F139 AromaticContact CZ-CE1 3.82Å; F89-F139 HydrophobicContact CZ-CE1 3.82Å; F89-V146 HydrophobicContact CB-CG2 3.74Å |
| 90 | G | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S86 P87 L88 S93 N94 G440 V441 | S86-G90 PolarHBondContact O-N 2.84Å; P87-G90 PolarHBondContact O-N 3.11Å; L88-G90 VanDerWaalsContact C-N 3.29Å; L88-G90 PolarHBondContact O-N 3.3Å; G90-S93 PolarHBondContact O-N 3.23Å; G90-S93 PolarHBondContact O-OG 2.96Å; G90-N94 PolarHBondContact O-N 3.19Å; G90-G440 VanDerWaalsContact C-C 3.47Å; G90-G440 WeakPolarHBondContact CA-O 3.2Å; G90-G440 CarbonylContact O-C 3.56Å; G90-G440 WeakPolarHBondContact O-CA 3.31Å; G90-V441 PolarHBondContact O-N 3.41Å |
| 91 | L | 91.3 | Very high | 91.5 | Very high | 85 Ų | 85 | 51.7 Ų | 51.7 | 45% | 0.445 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 176.8 | -176.6 | 67 | 0 | 0 | 0 | 112.3 | P87 L88 S93 N94 H95 V441 | P87-L91 WeakPolarHBondContact O-CB 3.3Å; P87-L91 PolarHBondContact O-N 2.84Å; L88-L91 PolarHBondContact O-N 3.41Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 2.65Å; L91-N94 WeakPolarHBondContact O-CB 3.39Å; L91-N94 PolarHBondContact O-N 2.91Å; L91-H95 PolarHBondContact O-ND1 3.41Å; L91-V441 VanDerWaalsContact CA-CG2 3.46Å; L91-V441 HydrophobicContact CB-CG2 3.78Å; L91-V441 HydrophobicContact CD1-CG2 3.44Å; L91-V441 VanDerWaalsContact CD1-CG2 3.44Å; L91-V441 HydrophobicContact CG-CG2 4.23Å |
| 92 | W | 91.5 | Very high | 91.4 | Very high | 94 Ų | 94 | 51.2 Ų | 51.2 | 36% | 0.356 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 176.2 | -172.3 | -1.8 | 0 | 0 | 0 | 110.9 | L88 F89 N94 H95 R96 E100 P101 C104 | L88-W92 PolarHBondContact O-N 2.96Å; F89-W92 AromaticContact CD1-CE3 3.94Å; F89-W92 HydrophobicContact CD1-CE3 3.94Å; F89-W92 HydrophobicContact CD1-CZ3 4.37Å; F89-W92 HydrophobicContact CE1-CE3 4.02Å; F89-W92 AromaticContact CE1-CZ3 3.99Å; F89-W92 HydrophobicContact CE1-CZ3 3.99Å; F89-W92 PolarHBondContact O-N 2.85Å; W92-N94 PolarHBondContact O-N 3.41Å; W92-N94 VanDerWaalsContact O-N 3.13Å; W92-H95 PolarHBondContact O-N 3.31Å; W92-H95 VanDerWaalsContact O-N 3.08Å; W92-R96 PolarHBondContact O-N 2.95Å; W92-E100 HydrophobicContact CZ2-CB 4.34Å; W92-P101 HydrophobicContact CB-CB 4.15Å; W92-P101 HydrophobicContact CD2-CB 3.81Å; W92-P101 HydrophobicContact CE3-CB 3.95Å; W92-P101 HydrophobicContact CG-CB 3.92Å; W92-P101 HydrophobicContact CG-CG 4.31Å; W92-C104 HydrophobicContact CH2-CB 3.92Å; W92-C104 VanDerWaalsContact CH2-SG 3.57Å; W92-C104 HydrophobicContact CZ3-CB 4Å |
| 93 | S | 88.9 | Confident | 91.4 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 5% | 0.049 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.1 | -16 | 178.2 | 78.3 | 0 | 0 | 0 | 0 | 115 | F89 G90 L91 | F89-S93 WeakPolarHBondContact O-CB 3.42Å; F89-S93 PolarHBondContact O-N 3.47Å; F89-S93 PolarHBondContact O-OG 3.31Å; G90-S93 PolarHBondContact O-N 3.23Å; G90-S93 PolarHBondContact O-OG 2.96Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 2.65Å |
| 94 | N | 87.8 | Confident | 91.4 | Very high | 43 Ų | 43 | 51.3 Ų | 51.3 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -82.6 | -28.4 | 174.5 | -80.4 | 0.9 | 0 | 0 | 0 | 112.9 | G90 L91 W92 P438 G440 V441 | G90-N94 PolarHBondContact O-N 3.19Å; L91-N94 WeakPolarHBondContact O-CB 3.39Å; L91-N94 PolarHBondContact O-N 2.91Å; W92-N94 PolarHBondContact O-N 3.41Å; W92-N94 VanDerWaalsContact O-N 3.13Å; N94-P438 HydrophobicContact CB-CB 4.14Å; N94-P438 PolarHBondContact ND2-O 3.33Å; N94-P438 VanDerWaalsContact ND2-O 3.07Å; N94-G440 WeakPolarHBondContact OD1-CA 3.22Å; N94-G440 PolarHBondContact OD1-N 2.76Å; N94-V441 WeakPolarHBondContact ND2-CG2 3.43Å; N94-V441 PolarHBondContact ND2-N 3.48Å |
| 95 | H | 81.4 | Confident | 91.4 | Very high | 135 Ų | 135 | 47.4 Ų | 47.4 | 63% | 0.625 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -104.1 | -17 | -174.3 | -65.4 | 81.4 | 0 | 0 | 0 | 113.3 | L91 W92 | L91-H95 PolarHBondContact O-ND1 3.41Å; W92-H95 PolarHBondContact O-N 3.31Å; W92-H95 VanDerWaalsContact O-N 3.08Å |
| 96 | R | 81.9 | Confident | 91.4 | Very high | 150 Ų | 150 | 47.6 Ų | 47.6 | 57% | 0.566 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -133 | 166.6 | -178.8 | -68 | -71.1 | -176.2 | 165.1 | -2.7 | 110.5 | W92 R98 E100 | W92-R96 PolarHBondContact O-N 2.95Å; R96-R98 PolarHBondContact O-N 2.99Å; R96-E100 WeakPolarHBondContact CB-OE2 3.34Å |
| 97 | L | 82.9 | Confident | 91.5 | Very high | 79 Ų | 79 | 50.8 Ų | 50.8 | 41% | 0.414 | 24% | 0.244 | S | C | . | . | trans | -57.7 | 134.3 | 175.4 | -76 | 86.7 | 0 | 0 | 0 | 110 | R99 E100 P101 I242 | L97-R99 PolarHBondContact O-N 3.49Å; L97-E100 PolarHBondContact O-N 3.47Å; L97-P101 WeakPolarHBondContact O-CD 3.4Å; L97-I242 HydrophobicContact CD1-CD1 3.87Å; L97-I242 HydrophobicContact CG-CD1 4.11Å | ||
| 98 | R | 85.4 | Confident | 91.6 | Very high | 24 Ų | 24 | 52.2 Ų | 52.2 | 9% | 0.091 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22.5 | -175.3 | -78.5 | 160.3 | -72.5 | -135.7 | -15 | 113.9 | R96 P101 L102 V146 Y150 E229 S241 | R96-R98 PolarHBondContact O-N 2.99Å; R98-P101 WeakPolarHBondContact O-CD 3.25Å; R98-P101 WeakPolarHBondContact O-CG 3.5Å; R98-L102 WeakPolarHBondContact O-CB 3.45Å; R98-L102 PolarHBondContact O-N 3.28Å; R98-V146 HydrophobicContact CB-CG1 4.13Å; R98-V146 HydrophobicContact CG-CG1 4.26Å; R98-Y150 HydrophobicContact CB-CD2 4.19Å; R98-E229 IonicContact CZ-OE1 3.13Å; R98-E229 PolarHBondContact N-OE1 3.37Å; R98-E229 VanDerWaalsContact NE-CD 3.34Å; R98-E229 IonicContact NE-OE1 3.89Å; R98-E229 PolarHBondContact NE-OE1 3.31Å; R98-E229 IonicContact NE-OE2 2.9Å; R98-E229 IonicContact NH2-OE1 3.8Å; R98-E229 PolarHBondContact NH2-OE1 3.29Å; R98-S241 PolarHBondContact NH2-OG 2.88Å |
| 99 | R | 89.9 | Confident | 91.5 | Very high | 96 Ų | 96 | 49 Ų | 49 | 36% | 0.362 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.1 | -41.8 | 173.6 | 179.7 | 175.9 | 166.1 | 159.5 | -0 | 113.4 | L97 L102 V103 V223 L224 L227 | L97-R99 PolarHBondContact O-N 3.49Å; R99-L102 PolarHBondContact O-N 2.96Å; R99-V103 HydrophobicContact CG-CG2 4.23Å; R99-V103 WeakPolarHBondContact O-CB 3.48Å; R99-V103 VanDerWaalsContact O-CG2 3.26Å; R99-V103 WeakPolarHBondContact O-CG2 3.42Å; R99-V103 PolarHBondContact O-N 2.94Å; R99-V223 HydrophobicContact CG-CG1 4.09Å; R99-L224 PolarHBondContact NH1-O 3.35Å; R99-L224 VanDerWaalsContact NH2-CA 3.33Å; R99-L224 PolarHBondContact NH2-O 2.8Å; R99-L227 HydrophobicContact CB-CD2 4.06Å |
| 100 | E | 91.1 | Very high | 91.5 | Very high | 79 Ų | 79 | 50.2 Ų | 50.2 | 37% | 0.369 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.3 | -59.3 | -177.3 | -69 | 174.6 | -168.3 | 0 | 0 | 112.7 | W92 R96 L97 L102 V103 C104 | W92-E100 HydrophobicContact CZ2-CB 4.34Å; R96-E100 WeakPolarHBondContact CB-OE2 3.34Å; L97-E100 PolarHBondContact O-N 3.47Å; E100-L102 PolarHBondContact O-N 3.48Å; E100-V103 PolarHBondContact O-N 3.26Å; E100-C104 PolarHBondContact O-N 3.14Å |
| 101 | P | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.1 | -31.1 | 178.6 | 24.6 | -33 | 0 | 0 | 0 | 112.1 | F89 W92 L97 R98 S105 V146 | F89-P101 HydrophobicContact CD1-CB 3.83Å; W92-P101 HydrophobicContact CB-CB 4.15Å; W92-P101 HydrophobicContact CD2-CB 3.81Å; W92-P101 HydrophobicContact CE3-CB 3.95Å; W92-P101 HydrophobicContact CG-CB 3.92Å; W92-P101 HydrophobicContact CG-CG 4.31Å; L97-P101 WeakPolarHBondContact O-CD 3.4Å; R98-P101 WeakPolarHBondContact O-CD 3.25Å; R98-P101 WeakPolarHBondContact O-CG 3.5Å; P101-S105 WeakPolarHBondContact O-CB 3.1Å; P101-S105 PolarHBondContact O-N 2.93Å; P101-S105 PolarHBondContact O-OG 3.04Å; P101-V146 HydrophobicContact CB-CG2 4.31Å; P101-V146 HydrophobicContact CG-CG1 4.27Å; P101-V146 HydrophobicContact CG-CG2 4.45Å |
| 102 | L | 94.2 | Very high | 92 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.8 | -46.3 | 177.3 | -169.5 | 68 | 0 | 0 | 0 | 112 | M37 T40 R98 R99 E100 S105 I106 N143 V146 V147 V223 L227 | M37-L102 HydrophobicContact CE-CD2 3.56Å; M37-L102 HydrophobicContact SD-CD2 4Å; T40-L102 HydrophobicContact CG2-CD1 4.25Å; R98-L102 WeakPolarHBondContact O-CB 3.45Å; R98-L102 PolarHBondContact O-N 3.28Å; R99-L102 PolarHBondContact O-N 2.96Å; E100-L102 PolarHBondContact O-N 3.48Å; L102-S105 WeakPolarHBondContact CA-OG 3.31Å; L102-S105 PolarHBondContact O-OG 3.29Å; L102-I106 HydrophobicContact CD1-CD1 4.4Å; L102-I106 HydrophobicContact CG-CD1 4.02Å; L102-I106 WeakPolarHBondContact O-CD1 3.38Å; L102-I106 WeakPolarHBondContact O-CG1 3.35Å; L102-I106 PolarHBondContact O-N 3.49Å; L102-I106 VanDerWaalsContact O-N 3.12Å; L102-N143 HydrophobicContact CD1-CB 3.91Å; L102-V146 HydrophobicContact CB-CG1 4.36Å; L102-V147 HydrophobicContact CD1-CG2 3.75Å; L102-V223 HydrophobicContact CD2-CB 4.44Å; L102-V223 HydrophobicContact CD2-CG1 3.9Å; L102-V223 HydrophobicContact CD2-CG2 3.6Å; L102-V223 HydrophobicContact CG-CG1 4.48Å; L102-V223 HydrophobicContact CG-CG2 4.36Å; L102-L227 HydrophobicContact CD2-CD2 4.35Å |
| 103 | V | 95.7 | Very high | 92.1 | Very high | 26 Ų | 26 | 44.8 Ų | 44.8 | 16% | 0.158 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.6 | -44.9 | 177.8 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | R99 E100 S105 I106 V107 I220 V223 L224 | R99-V103 HydrophobicContact CG-CG2 4.23Å; R99-V103 WeakPolarHBondContact O-CB 3.48Å; R99-V103 VanDerWaalsContact O-CG2 3.26Å; R99-V103 WeakPolarHBondContact O-CG2 3.42Å; R99-V103 PolarHBondContact O-N 2.94Å; E100-V103 PolarHBondContact O-N 3.26Å; V103-S105 PolarHBondContact O-N 2.81Å; V103-I106 PolarHBondContact O-N 3.48Å; V103-V107 HydrophobicContact CG1-CG2 4.22Å; V103-V107 VanDerWaalsContact O-CG2 3.31Å; V103-V107 WeakPolarHBondContact O-CG2 3.38Å; V103-V107 PolarHBondContact O-N 2.92Å; V103-I220 HydrophobicContact CG1-CG2 4.37Å; V103-V223 HydrophobicContact CG2-CB 4.48Å; V103-V223 HydrophobicContact CG2-CG1 3.66Å; V103-L224 HydrophobicContact CG1-CD2 4.44Å; V103-L224 HydrophobicContact CG2-CD2 3.72Å; V103-L224 HydrophobicContact CG2-CG 4.31Å |
| 104 | C | 96.8 | Very high | 92.4 | Very high | 53 Ų | 53 | 47.5 Ų | 47.5 | 36% | 0.358 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.2 | -45.1 | 178.4 | -79 | 0 | 0 | 0 | 0 | 112.5 | F89 W92 E100 I106 V107 I108 | F89-C104 HydrophobicContact CE1-CB 4.43Å; W92-C104 HydrophobicContact CH2-CB 3.92Å; W92-C104 VanDerWaalsContact CH2-SG 3.57Å; W92-C104 HydrophobicContact CZ3-CB 4Å; E100-C104 PolarHBondContact O-N 3.14Å; C104-I106 PolarHBondContact O-N 3.13Å; C104-V107 PolarHBondContact O-N 3.24Å; C104-I108 WeakPolarHBondContact O-CG1 3.44Å; C104-I108 PolarHBondContact O-N 3.29Å |
| 105 | S | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 177.6 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | P101 L102 V103 I108 N109 G140 N143 | P101-S105 WeakPolarHBondContact O-CB 3.1Å; P101-S105 PolarHBondContact O-N 2.93Å; P101-S105 PolarHBondContact O-OG 3.04Å; L102-S105 WeakPolarHBondContact CA-OG 3.31Å; L102-S105 PolarHBondContact O-OG 3.29Å; V103-S105 PolarHBondContact O-N 2.81Å; S105-I108 PolarHBondContact O-N 3.32Å; S105-N109 PolarHBondContact O-N 3.39Å; S105-G140 WeakPolarHBondContact CB-O 3.3Å; S105-G140 VanDerWaalsContact O-CA 3.27Å; S105-G140 WeakPolarHBondContact O-CA 3.48Å; S105-N143 VanDerWaalsContact OG-CB 3.26Å; S105-N143 WeakPolarHBondContact OG-CB 3.4Å |
| 106 | I | 95.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.1 | -36.3 | 175.9 | -58.6 | 160 | 0 | 0 | 0 | 111.6 | L102 V103 C104 N109 L110 G216 N219 I220 V223 | L102-I106 HydrophobicContact CD1-CD1 4.4Å; L102-I106 HydrophobicContact CG-CD1 4.02Å; L102-I106 WeakPolarHBondContact O-CD1 3.38Å; L102-I106 WeakPolarHBondContact O-CG1 3.35Å; L102-I106 PolarHBondContact O-N 3.49Å; L102-I106 VanDerWaalsContact O-N 3.12Å; V103-I106 PolarHBondContact O-N 3.48Å; C104-I106 PolarHBondContact O-N 3.13Å; I106-N109 WeakPolarHBondContact O-CB 3.37Å; I106-N109 PolarHBondContact O-N 3.44Å; I106-L110 WeakPolarHBondContact O-CB 3.43Å; I106-L110 PolarHBondContact O-N 3.29Å; I106-G216 VanDerWaalsContact CG2-O 3.31Å; I106-G216 WeakPolarHBondContact CG2-O 3.1Å; I106-N219 HydrophobicContact CD1-CB 4.42Å; I106-N219 VanDerWaalsContact CD1-ND2 3.33Å; I106-N219 WeakPolarHBondContact CD1-ND2 3.22Å; I106-N219 HydrophobicContact CG2-CB 4.49Å; I106-I220 HydrophobicContact CB-CD1 4.37Å; I106-I220 HydrophobicContact CB-CG1 3.93Å; I106-I220 HydrophobicContact CG2-CD1 3.89Å; I106-I220 HydrophobicContact CG2-CG1 3.57Å; I106-V223 HydrophobicContact CD1-CG2 4.41Å |
| 107 | V | 97.3 | Very high | 93.8 | Very high | 67 Ų | 67 | 35.5 Ų | 35.5 | 41% | 0.406 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 174.3 | 168.7 | 0 | 0 | 0 | 0 | 111.2 | V103 C104 N109 L110 A111 I220 | V103-V107 HydrophobicContact CG1-CG2 4.22Å; V103-V107 VanDerWaalsContact O-CG2 3.31Å; V103-V107 WeakPolarHBondContact O-CG2 3.38Å; V103-V107 PolarHBondContact O-N 2.92Å; C104-V107 PolarHBondContact O-N 3.24Å; V107-N109 VanDerWaalsContact C-N 3.31Å; V107-N109 PolarHBondContact O-N 3.07Å; V107-L110 WeakPolarHBondContact O-CB 3.32Å; V107-L110 PolarHBondContact O-N 2.94Å; V107-A111 WeakPolarHBondContact O-CB 3.43Å; V107-A111 PolarHBondContact O-N 2.84Å; V107-I220 HydrophobicContact CG2-CD1 3.61Å; V107-I220 HydrophobicContact CG2-CG1 4.46Å |
| 108 | I | 97.1 | Very high | 94.1 | Very high | 53 Ų | 53 | 34.5 Ų | 34.5 | 27% | 0.272 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 173.7 | -68.1 | 163.2 | 0 | 0 | 0 | 110.1 | F89 C104 S105 L110 A111 A112 F139 | F89-I108 HydrophobicContact CZ-CD1 4Å; C104-I108 WeakPolarHBondContact O-CG1 3.44Å; C104-I108 PolarHBondContact O-N 3.29Å; S105-I108 PolarHBondContact O-N 3.32Å; I108-L110 PolarHBondContact O-N 3.19Å; I108-A111 PolarHBondContact O-N 3.36Å; I108-A112 WeakPolarHBondContact O-CB 3.07Å; I108-A112 PolarHBondContact O-N 2.99Å; I108-F139 HydrophobicContact CD1-CD1 4.03Å; I108-F139 HydrophobicContact CD1-CE1 4Å; I108-F139 HydrophobicContact CG2-CD1 4.22Å |
| 109 | N | 95.1 | Very high | 94.2 | Very high | 24 Ų | 24 | 33.3 Ų | 33.3 | 13% | 0.128 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.2 | -42.7 | 177.8 | -167.5 | -85.9 | 0 | 0 | 0 | 112.3 | S105 I106 V107 A112 N113 V137 | S105-N109 PolarHBondContact O-N 3.39Å; I106-N109 WeakPolarHBondContact O-CB 3.37Å; I106-N109 PolarHBondContact O-N 3.44Å; V107-N109 VanDerWaalsContact C-N 3.31Å; V107-N109 PolarHBondContact O-N 3.07Å; N109-A112 PolarHBondContact O-N 2.89Å; N109-N113 PolarHBondContact O-N 3.35Å; N109-N113 PolarHBondContact O-ND2 3.42Å; N109-N113 PolarHBondContact OD1-ND2 2.96Å; N109-V137 WeakPolarHBondContact ND2-CG1 3.47Å; N109-V137 PolarHBondContact ND2-O 3.48Å |
| 110 | L | 95.7 | Very high | 93.9 | Very high | 35 Ų | 35 | 31 Ų | 31 | 18% | 0.183 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58 | -54.2 | 175 | 174.6 | 75.3 | 0 | 0 | 0 | 111 | I106 V107 I108 A112 N113 I114 A213 I220 | I106-L110 WeakPolarHBondContact O-CB 3.43Å; I106-L110 PolarHBondContact O-N 3.29Å; V107-L110 WeakPolarHBondContact O-CB 3.32Å; V107-L110 PolarHBondContact O-N 2.94Å; I108-L110 PolarHBondContact O-N 3.19Å; L110-A112 VanDerWaalsContact C-N 3.3Å; L110-A112 PolarHBondContact O-N 3.47Å; L110-N113 PolarHBondContact O-N 3.49Å; L110-I114 HydrophobicContact CD1-CD1 4.33Å; L110-I114 HydrophobicContact CG-CD1 4.17Å; L110-I114 WeakPolarHBondContact O-CG1 3.33Å; L110-I114 PolarHBondContact O-N 2.99Å; L110-A213 HydrophobicContact CD1-CB 3.68Å; L110-A213 WeakPolarHBondContact CD1-O 3.29Å; L110-I220 HydrophobicContact CD2-CD1 4.41Å |
| 111 | A | 96.9 | Very high | 93.6 | Very high | 55 Ų | 55 | 31.3 Ų | 31.3 | 46% | 0.455 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.4 | -39.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V107 I108 I114 Y115 | V107-A111 WeakPolarHBondContact O-CB 3.43Å; V107-A111 PolarHBondContact O-N 2.84Å; I108-A111 PolarHBondContact O-N 3.36Å; A111-I114 PolarHBondContact O-N 2.99Å; A111-Y115 VanDerWaalsContact O-CB 3.3Å; A111-Y115 WeakPolarHBondContact O-CB 3.46Å; A111-Y115 PolarHBondContact O-N 2.75Å |
| 112 | A | 96.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 33 Ų | 33 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.4 | -37.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | I108 N109 L110 Y115 Y116 F136 V137 | I108-A112 WeakPolarHBondContact O-CB 3.07Å; I108-A112 PolarHBondContact O-N 2.99Å; N109-A112 PolarHBondContact O-N 2.89Å; L110-A112 VanDerWaalsContact C-N 3.3Å; L110-A112 PolarHBondContact O-N 3.47Å; A112-Y115 PolarHBondContact O-N 2.93Å; A112-Y116 WeakPolarHBondContact O-CB 3.03Å; A112-Y116 PolarHBondContact O-N 3.06Å; A112-F136 HydrophobicContact CB-CB 3.52Å; A112-V137 HydrophobicContact CB-CB 4.32Å; A112-V137 HydrophobicContact CB-CG2 3.52Å |
| 113 | N | 95.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70 | -38.8 | 174.4 | -83.4 | -68.5 | 0 | 0 | 0 | 112.3 | N109 L110 Y115 Y116 A117 A209 A213 | N109-N113 PolarHBondContact O-N 3.35Å; N109-N113 PolarHBondContact O-ND2 3.42Å; N109-N113 PolarHBondContact OD1-ND2 2.96Å; L110-N113 PolarHBondContact O-N 3.49Å; N113-Y115 VanDerWaalsContact C-N 3.31Å; N113-Y116 WeakPolarHBondContact O-CB 3.46Å; N113-Y116 PolarHBondContact O-N 3.23Å; N113-A117 PolarHBondContact O-N 3.41Å; N113-A209 WeakPolarHBondContact CB-O 3.34Å; N113-A213 HydrophobicContact CB-CB 4.09Å |
| 114 | I | 94.3 | Very high | 91.3 | Very high | 64 Ų | 64 | 46.3 Ų | 46.3 | 33% | 0.328 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 171.4 | -66.9 | 168.3 | 0 | 0 | 0 | 109.5 | L110 A111 Y116 A117 Y118 A213 | L110-I114 HydrophobicContact CD1-CD1 4.33Å; L110-I114 HydrophobicContact CG-CD1 4.17Å; L110-I114 WeakPolarHBondContact O-CG1 3.33Å; L110-I114 PolarHBondContact O-N 2.99Å; A111-I114 PolarHBondContact O-N 2.99Å; I114-Y116 VanDerWaalsContact C-N 3.33Å; I114-Y116 PolarHBondContact O-N 3.02Å; I114-A117 WeakPolarHBondContact O-CB 3.33Å; I114-A117 PolarHBondContact O-N 3.08Å; I114-A117 VanDerWaalsContact O-N 3.14Å; I114-Y118 HydrophobicContact CG2-CD2 3.79Å; I114-Y118 HydrophobicContact CG2-CE2 3.71Å; I114-Y118 VanDerWaalsContact O-CD2 3.23Å; I114-Y118 WeakPolarHBondContact O-CD2 3.41Å; I114-Y118 PolarHBondContact O-N 3.49Å; I114-Y118 VanDerWaalsContact O-N 3.13Å; I114-A213 HydrophobicContact CG1-CB 4.05Å |
| 115 | Y | 95 | Very high | 90.6 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 176.5 | 178.4 | -132.8 | 0 | 0 | 0 | 112.5 | A111 A112 N113 A117 Y118 A119 H129 M132 S133 | A111-Y115 VanDerWaalsContact O-CB 3.3Å; A111-Y115 WeakPolarHBondContact O-CB 3.46Å; A111-Y115 PolarHBondContact O-N 2.75Å; A112-Y115 PolarHBondContact O-N 2.93Å; N113-Y115 VanDerWaalsContact C-N 3.31Å; Y115-A117 VanDerWaalsContact C-N 3.34Å; Y115-A117 PolarHBondContact O-N 3.46Å; Y115-Y118 CarbonylContact O-C 3.59Å; Y115-Y118 PolarHBondContact O-N 3.02Å; Y115-A119 PolarHBondContact O-N 2.94Å; Y115-A119 VanDerWaalsContact O-N 3.08Å; Y115-H129 PolarHBondContact OH-ND1 3.44Å; Y115-M132 HydrophobicContact CE1-CB 4.36Å; Y115-M132 HydrophobicContact CE1-CG 4.37Å; Y115-S133 VanDerWaalsContact CD1-CB 3.44Å |
| 116 | Y | 93.3 | Very high | 90 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -42 | 173 | -175.7 | -86.8 | 0 | 0 | 0 | 112.2 | V51 L55 Y58 A112 N113 I114 Y118 A119 M130 S133 R134 A209 | V51-Y116 HydrophobicContact CG1-CD1 4.39Å; V51-Y116 HydrophobicContact CG1-CE1 3.59Å; V51-Y116 HydrophobicContact CG1-CE2 4.19Å; V51-Y116 VanDerWaalsContact CG1-CZ 3.46Å; V51-Y116 WeakPolarHBondContact CG1-OH 3.48Å; L55-Y116 HydrophobicContact CD1-CE2 4.1Å; L55-Y116 WeakPolarHBondContact CD1-OH 3.37Å; Y58-Y116 AromaticContact CD1-CE1 3.66Å; Y58-Y116 HydrophobicContact CD1-CE1 3.66Å; Y58-Y116 AromaticContact CD1-CZ 3.64Å; Y58-Y116 WeakPolarHBondContact CD1-OH 3.22Å; Y58-Y116 HydrophobicContact CE1-CD1 4.08Å; Y58-Y116 AromaticContact CE1-CE1 3.51Å; Y58-Y116 HydrophobicContact CE1-CE1 3.51Å; Y58-Y116 AromaticContact CE1-CZ 3.78Å; Y58-Y116 PolarHBondContact OH-O 3.21Å; A112-Y116 WeakPolarHBondContact O-CB 3.03Å; A112-Y116 PolarHBondContact O-N 3.06Å; N113-Y116 WeakPolarHBondContact O-CB 3.46Å; N113-Y116 PolarHBondContact O-N 3.23Å; I114-Y116 VanDerWaalsContact C-N 3.33Å; I114-Y116 PolarHBondContact O-N 3.02Å; Y116-Y118 VanDerWaalsContact C-N 3.25Å; Y116-Y118 PolarHBondContact O-N 3.37Å; Y116-A119 WeakPolarHBondContact O-CB 3.46Å; Y116-A119 PolarHBondContact O-N 3.42Å; Y116-A119 VanDerWaalsContact O-N 3.16Å; Y116-M130 HydrophobicContact CE2-CE 4.1Å; Y116-S133 WeakPolarHBondContact CD2-OG 3.25Å; Y116-R134 HydrophobicContact CD2-CG 4.36Å; Y116-R134 HydrophobicContact CE2-CG 4.13Å; Y116-A209 HydrophobicContact CD1-CB 3.6Å; Y116-A209 HydrophobicContact CE1-CB 4.28Å; Y116-A209 HydrophobicContact CG-CB 4.44Å |
| 117 | A | 91.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -32.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N113 I114 Y115 Y120 T206 L210 | N113-A117 PolarHBondContact O-N 3.41Å; I114-A117 WeakPolarHBondContact O-CB 3.33Å; I114-A117 PolarHBondContact O-N 3.08Å; I114-A117 VanDerWaalsContact O-N 3.14Å; Y115-A117 VanDerWaalsContact C-N 3.34Å; Y115-A117 PolarHBondContact O-N 3.46Å; A117-Y120 VanDerWaalsContact O-CD1 3.29Å; A117-Y120 WeakPolarHBondContact O-CD1 3.25Å; A117-Y120 WeakPolarHBondContact O-CE1 3.5Å; A117-T206 WeakPolarHBondContact O-CG2 3.27Å; A117-L210 HydrophobicContact CB-CD2 3.8Å; A117-L210 HydrophobicContact CB-CG 3.97Å |
| 118 | Y | 90.6 | Very high | 89.4 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 22% | 0.224 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 6.3 | 176.2 | -71.8 | -67.3 | 0 | 0 | 0 | 114.5 | I114 Y115 Y116 Y120 L121 L198 L200 | I114-Y118 HydrophobicContact CG2-CD2 3.79Å; I114-Y118 HydrophobicContact CG2-CE2 3.71Å; I114-Y118 VanDerWaalsContact O-CD2 3.23Å; I114-Y118 WeakPolarHBondContact O-CD2 3.41Å; I114-Y118 PolarHBondContact O-N 3.49Å; I114-Y118 VanDerWaalsContact O-N 3.13Å; Y115-Y118 CarbonylContact O-C 3.59Å; Y115-Y118 PolarHBondContact O-N 3.02Å; Y116-Y118 VanDerWaalsContact C-N 3.25Å; Y116-Y118 PolarHBondContact O-N 3.37Å; Y118-Y120 PolarHBondContact O-N 3.49Å; Y118-L121 HydrophobicContact CD1-CD1 3.4Å; Y118-L121 VanDerWaalsContact CD1-CD1 3.4Å; Y118-L121 HydrophobicContact CD1-CG 4.15Å; Y118-L121 HydrophobicContact CE1-CD1 4.15Å; Y118-L121 HydrophobicContact CG-CD1 4.12Å; Y118-L121 WeakPolarHBondContact O-CB 3.32Å; Y118-L121 PolarHBondContact O-N 2.86Å; Y118-L198 PolarHBondContact OH-O 3.5Å; Y118-L200 HydrophobicContact CE1-CB 4.36Å; Y118-L200 HydrophobicContact CE1-CD1 3.84Å; Y118-L200 HydrophobicContact CE2-CD1 4.27Å |
| 119 | A | 87.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y115 Y116 M130 | Y115-A119 PolarHBondContact O-N 2.94Å; Y115-A119 VanDerWaalsContact O-N 3.08Å; Y116-A119 WeakPolarHBondContact O-CB 3.46Å; Y116-A119 PolarHBondContact O-N 3.42Å; Y116-A119 VanDerWaalsContact O-N 3.16Å; A119-M130 HydrophobicContact CB-CG 3.6Å |
| 120 | Y | 83.4 | Confident | 89 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 18% | 0.18 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -15.1 | 174.2 | 70.3 | -93.8 | 0 | 0 | 0 | 114.4 | A117 Y118 D199 Q201 T206 | A117-Y120 VanDerWaalsContact O-CD1 3.29Å; A117-Y120 WeakPolarHBondContact O-CD1 3.25Å; A117-Y120 WeakPolarHBondContact O-CE1 3.5Å; Y118-Y120 PolarHBondContact O-N 3.49Å; Y120-D199 PolarHBondContact OH-O 3.07Å; Y120-Q201 HydrophobicContact CE1-CB 4.24Å; Y120-Q201 HydrophobicContact CE1-CG 4.48Å; Y120-Q201 HydrophobicContact CE2-CG 4.27Å; Y120-Q201 WeakPolarHBondContact OH-CG 3.37Å; Y120-Q201 PolarHBondContact OH-N 3.05Å; Y120-T206 HydrophobicContact CD1-CG2 4.49Å; Y120-T206 HydrophobicContact CE1-CG2 4.38Å |
| 121 | L | 84.6 | Confident | 88.9 | Confident | 87 Ų | 87 | 53.6 Ų | 53.6 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -70.7 | -40.4 | -176.4 | -73.8 | -180 | 0 | 0 | 0 | 114.4 | Y118 D199 | Y118-L121 HydrophobicContact CD1-CD1 3.4Å; Y118-L121 VanDerWaalsContact CD1-CD1 3.4Å; Y118-L121 HydrophobicContact CD1-CG 4.15Å; Y118-L121 HydrophobicContact CE1-CD1 4.15Å; Y118-L121 HydrophobicContact CG-CD1 4.12Å; Y118-L121 WeakPolarHBondContact O-CB 3.32Å; Y118-L121 PolarHBondContact O-N 2.86Å; L121-D199 HydrophobicContact CD2-CB 4.4Å |
| 122 | P | 82.3 | Confident | 88.8 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 23% | 0.234 | 27% | 0.266 | C | S | . | . | trans | -55 | 144.4 | 173.6 | -25.1 | 36 | 0 | 0 | 0 | 110.8 | N126 H129 | P122-N126 VanDerWaalsContact C-OD1 3.24Å; P122-N126 PolarHBondContact O-ND2 2.95Å; P122-N126 PolarHBondContact O-OD1 3.03Å; P122-H129 VanDerWaalsContact CB-CD2 3.46Å; P122-H129 WeakPolarHBondContact CB-CD2 3.32Å | ||
| 123 | K | 74.3 | Confident | 88.8 | Confident | 203 Ų | 203 | 55.2 Ų | 55.2 | 88% | 0.883 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -90.4 | -14.5 | -178.9 | -66 | -173.4 | -179.8 | -178.9 | 0 | 112.9 | ||
| 124 | T | 78.9 | Confident | 88.8 | Confident | 102 Ų | 102 | 55.2 Ų | 55.2 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -135.3 | 143.7 | -175.9 | 51.5 | 0 | 0 | 0 | 0 | 110 | N126 | T124-N126 VanDerWaalsContact C-N 3.34Å; T124-N126 PolarHBondContact N-OD1 3.25Å; T124-N126 PolarHBondContact O-N 2.98Å; T124-N126 PolarHBondContact O-OD1 2.81Å |
| 125 | N | 82.2 | Confident | 88.8 | Confident | 104 Ų | 104 | 53.6 Ų | 53.6 | 56% | 0.556 | 26% | 0.259 | S | S | * | . | trans | 60.7 | 33.7 | 174.1 | -66.2 | -28.8 | 0 | 0 | 0 | 115.5 | K127 Y128 H129 | N125-K127 VanDerWaalsContact C-N 3.3Å; N125-K127 PolarHBondContact O-N 2.82Å; N125-Y128 HydrophobicContact CB-CD2 3.88Å; N125-Y128 WeakPolarHBondContact O-CB 3.36Å; N125-Y128 PolarHBondContact O-N 2.61Å; N125-H129 PolarHBondContact O-N 3.21Å | ||
| 126 | N | 82.7 | Confident | 88.9 | Confident | 24 Ų | 24 | 54.7 Ų | 54.7 | 13% | 0.128 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -35.9 | -172.6 | -59.7 | 0.3 | 0 | 0 | 0 | 113.6 | V62 P122 T124 Y128 H129 M130 | V62-N126 HydrophobicContact CG1-CB 3.28Å; P122-N126 VanDerWaalsContact C-OD1 3.24Å; P122-N126 PolarHBondContact O-ND2 2.95Å; P122-N126 PolarHBondContact O-OD1 3.03Å; T124-N126 VanDerWaalsContact C-N 3.34Å; T124-N126 PolarHBondContact N-OD1 3.25Å; T124-N126 PolarHBondContact O-N 2.98Å; T124-N126 PolarHBondContact O-OD1 2.81Å; N126-Y128 VanDerWaalsContact C-N 3.25Å; N126-Y128 PolarHBondContact O-N 3.35Å; N126-H129 WeakPolarHBondContact O-CB 2.95Å; N126-H129 PolarHBondContact O-N 2.77Å; N126-H129 VanDerWaalsContact O-N 3.11Å; N126-M130 PolarHBondContact O-N 2.94Å; N126-M130 VanDerWaalsContact O-N 3.08Å |
| 127 | K | 88.2 | Confident | 89.1 | Confident | 38 Ų | 38 | 54.8 Ų | 54.8 | 17% | 0.165 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.9 | -36 | 173.9 | 67.8 | -179.8 | 165.9 | -159.4 | 0 | 113.1 | L59 D63 S65 F70 N125 M130 L131 | L59-K127 HydrophobicContact CD1-CB 3.97Å; D63-K127 HydrophobicContact CB-CB 4.05Å; D63-K127 VanDerWaalsContact OD2-CD 3.25Å; D63-K127 WeakPolarHBondContact OD2-CD 3.33Å; D63-K127 WeakPolarHBondContact OD2-CG 3.4Å; D63-K127 IonicContact OD2-NZ 3.85Å; S65-K127 PolarHBondContact OG-NZ 3.15Å; S65-K127 VanDerWaalsContact OG-NZ 3.12Å; F70-K127 HydrophobicContact CD1-CB 4.23Å; F70-K127 HydrophobicContact CD2-CD 4.28Å; F70-K127 HydrophobicContact CE1-CB 3.55Å; F70-K127 HydrophobicContact CE1-CD 4.32Å; F70-K127 HydrophobicContact CE1-CG 4.05Å; F70-K127 VanDerWaalsContact CE1-O 3.31Å; F70-K127 WeakPolarHBondContact CE1-O 3.29Å; F70-K127 HydrophobicContact CE2-CD 4.07Å; F70-K127 HydrophobicContact CE2-CG 4.13Å; F70-K127 HydrophobicContact CG-CD 4.49Å; F70-K127 HydrophobicContact CZ-CB 3.72Å; F70-K127 HydrophobicContact CZ-CD 4.09Å; F70-K127 HydrophobicContact CZ-CG 3.72Å; F70-K127 VanDerWaalsContact CZ-O 3.3Å; F70-K127 WeakPolarHBondContact CZ-O 3.44Å; N125-K127 VanDerWaalsContact C-N 3.3Å; N125-K127 PolarHBondContact O-N 2.82Å; K127-M130 PolarHBondContact O-N 3.42Å; K127-L131 PolarHBondContact O-N 2.96Å |
| 128 | Y | 92.1 | Very high | 89.3 | Confident | 125 Ų | 125 | 54.8 Ų | 54.8 | 49% | 0.49 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -74.2 | -31 | 177.5 | -64.8 | -76.2 | 0 | 0 | 0 | 112.6 | F70 N125 N126 L131 M132 | F70-Y128 HydrophobicContact CE2-CD1 4.18Å; F70-Y128 AromaticContact CE2-CE1 3.97Å; F70-Y128 HydrophobicContact CE2-CE1 3.97Å; F70-Y128 HydrophobicContact CZ-CD1 4.28Å; N125-Y128 HydrophobicContact CB-CD2 3.88Å; N125-Y128 WeakPolarHBondContact O-CB 3.36Å; N125-Y128 PolarHBondContact O-N 2.61Å; N126-Y128 VanDerWaalsContact C-N 3.25Å; N126-Y128 PolarHBondContact O-N 3.35Å; Y128-L131 HydrophobicContact CD1-CD2 4.33Å; Y128-L131 WeakPolarHBondContact O-CB 3.19Å; Y128-L131 PolarHBondContact O-N 3.05Å; Y128-M132 VanDerWaalsContact O-CB 3.32Å; Y128-M132 WeakPolarHBondContact O-CB 3.31Å; Y128-M132 PolarHBondContact O-N 3.48Å |
| 129 | H | 92.3 | Very high | 89.6 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 26% | 0.264 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 172 | -68.7 | -58.5 | 0 | 0 | 0 | 111.8 | Y115 P122 N125 N126 M132 S133 | Y115-H129 PolarHBondContact OH-ND1 3.44Å; P122-H129 VanDerWaalsContact CB-CD2 3.46Å; P122-H129 WeakPolarHBondContact CB-CD2 3.32Å; N125-H129 PolarHBondContact O-N 3.21Å; N126-H129 WeakPolarHBondContact O-CB 2.95Å; N126-H129 PolarHBondContact O-N 2.77Å; N126-H129 VanDerWaalsContact O-N 3.11Å; H129-M132 PolarHBondContact O-N 3.41Å; H129-S133 WeakPolarHBondContact O-CB 3.22Å; H129-S133 PolarHBondContact O-N 3.34Å; H129-S133 PolarHBondContact O-OG 2.97Å |
| 130 | M | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 171.7 | -61.5 | -178.8 | 67.6 | 0 | 0 | 112.3 | Y58 L59 V62 M74 Y116 A119 N126 K127 S133 R134 | Y58-M130 HydrophobicContact CD1-CE 3.16Å; Y58-M130 HydrophobicContact CD1-SD 4.37Å; Y58-M130 HydrophobicContact CE1-CE 3.52Å; Y58-M130 HydrophobicContact CE1-SD 4.34Å; Y58-M130 HydrophobicContact CG-CE 3.82Å; L59-M130 HydrophobicContact CB-CE 4.38Å; L59-M130 HydrophobicContact CD1-SD 4.14Å; V62-M130 HydrophobicContact CB-SD 3.71Å; V62-M130 HydrophobicContact CG1-CG 4.41Å; V62-M130 HydrophobicContact CG1-SD 3.73Å; V62-M130 HydrophobicContact CG2-SD 3.86Å; M74-M130 HydrophobicContact CE-CB 3.67Å; M74-M130 HydrophobicContact CE-CE 3.82Å; Y116-M130 HydrophobicContact CE2-CE 4.1Å; A119-M130 HydrophobicContact CB-CG 3.6Å; N126-M130 PolarHBondContact O-N 2.94Å; N126-M130 VanDerWaalsContact O-N 3.08Å; K127-M130 PolarHBondContact O-N 3.42Å; M130-S133 WeakPolarHBondContact CA-OG 3.49Å; M130-S133 PolarHBondContact O-OG 3.1Å; M130-R134 WeakPolarHBondContact O-CG 3.17Å; M130-R134 PolarHBondContact O-N 3.01Å; M130-R134 VanDerWaalsContact O-N 3.09Å |
| 131 | L | 94 | Very high | 90.5 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 174.3 | -178.7 | 67.8 | 0 | 0 | 0 | 111.6 | F70 W73 M74 A77 K127 Y128 R134 A135 | F70-L131 HydrophobicContact CE1-CB 4.4Å; F70-L131 HydrophobicContact CE2-CD2 4.35Å; F70-L131 HydrophobicContact CZ-CB 4.01Å; F70-L131 HydrophobicContact CZ-CD2 4.13Å; W73-L131 HydrophobicContact CB-CD1 4.29Å; W73-L131 WeakPolarHBondContact O-CD1 3.47Å; M74-L131 HydrophobicContact CB-CD1 4.37Å; M74-L131 HydrophobicContact CG-CB 4.4Å; M74-L131 HydrophobicContact CG-CD1 3.9Å; A77-L131 HydrophobicContact CB-CD1 3.65Å; A77-L131 HydrophobicContact CB-CG 4.48Å; K127-L131 PolarHBondContact O-N 2.96Å; Y128-L131 HydrophobicContact CD1-CD2 4.33Å; Y128-L131 WeakPolarHBondContact O-CB 3.19Å; Y128-L131 PolarHBondContact O-N 3.05Å; L131-R134 WeakPolarHBondContact O-CB 3.43Å; L131-R134 PolarHBondContact O-N 3.04Å; L131-A135 PolarHBondContact O-N 3.42Å |
| 132 | M | 95.1 | Very high | 90.9 | Very high | 95 Ų | 95 | 48.6 Ų | 48.6 | 47% | 0.468 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.3 | -44.1 | -179.2 | -173.2 | 64.2 | 73.3 | 0 | 0 | 112 | Y115 Y128 H129 R134 A135 F136 | Y115-M132 HydrophobicContact CE1-CB 4.36Å; Y115-M132 HydrophobicContact CE1-CG 4.37Å; Y128-M132 VanDerWaalsContact O-CB 3.32Å; Y128-M132 WeakPolarHBondContact O-CB 3.31Å; Y128-M132 PolarHBondContact O-N 3.48Å; H129-M132 PolarHBondContact O-N 3.41Å; M132-R134 VanDerWaalsContact C-N 3.32Å; M132-R134 PolarHBondContact O-N 2.97Å; M132-A135 WeakPolarHBondContact O-CB 3.26Å; M132-A135 PolarHBondContact O-N 2.88Å; M132-F136 HydrophobicContact CG-CD2 3.87Å; M132-F136 HydrophobicContact CG-CE2 3.53Å; M132-F136 VanDerWaalsContact O-CD2 3.3Å; M132-F136 WeakPolarHBondContact O-CD2 3.31Å; M132-F136 PolarHBondContact O-N 2.94Å; M132-F136 HydrophobicContact SD-CD2 4.25Å; M132-F136 HydrophobicContact SD-CE2 3.69Å; M132-F136 HydrophobicContact SD-CZ 4.19Å |
| 133 | S | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 174.6 | 51.9 | 0 | 0 | 0 | 0 | 111.4 | Y115 Y116 H129 M130 A135 F136 V137 | Y115-S133 VanDerWaalsContact CD1-CB 3.44Å; Y116-S133 WeakPolarHBondContact CD2-OG 3.25Å; H129-S133 WeakPolarHBondContact O-CB 3.22Å; H129-S133 PolarHBondContact O-N 3.34Å; H129-S133 PolarHBondContact O-OG 2.97Å; M130-S133 WeakPolarHBondContact CA-OG 3.49Å; M130-S133 PolarHBondContact O-OG 3.1Å; S133-A135 VanDerWaalsContact C-N 3.33Å; S133-A135 PolarHBondContact O-N 3.38Å; S133-F136 PolarHBondContact O-N 3.16Å; S133-V137 VanDerWaalsContact O-CG2 3.3Å; S133-V137 WeakPolarHBondContact O-CG2 3.4Å; S133-V137 PolarHBondContact O-N 2.98Å |
| 134 | R | 94.5 | Very high | 92.4 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.6 | -40.8 | 173.4 | -75.4 | -56.9 | -141.1 | 135.8 | -4.8 | 113 | V51 I52 A77 Y116 M130 L131 M132 V137 G138 | V51-R134 PolarHBondContact O-NH2 3.16Å; I52-R134 VanDerWaalsContact CD1-NH2 3.32Å; A77-R134 HydrophobicContact CB-CB 4.37Å; Y116-R134 HydrophobicContact CD2-CG 4.36Å; Y116-R134 HydrophobicContact CE2-CG 4.13Å; M130-R134 WeakPolarHBondContact O-CG 3.17Å; M130-R134 PolarHBondContact O-N 3.01Å; M130-R134 VanDerWaalsContact O-N 3.09Å; L131-R134 WeakPolarHBondContact O-CB 3.43Å; L131-R134 PolarHBondContact O-N 3.04Å; M132-R134 VanDerWaalsContact C-N 3.32Å; M132-R134 PolarHBondContact O-N 2.97Å; R134-V137 PolarHBondContact O-N 3.25Å; R134-G138 PolarHBondContact O-N 3.39Å |
| 135 | A | 96.1 | Very high | 93.1 | Very high | 29 Ų | 29 | 32.7 Ų | 32.7 | 24% | 0.24 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | A77 L131 M132 S133 G138 F139 | A77-A135 HydrophobicContact CB-CB 4.25Å; L131-A135 PolarHBondContact O-N 3.42Å; M132-A135 WeakPolarHBondContact O-CB 3.26Å; M132-A135 PolarHBondContact O-N 2.88Å; S133-A135 VanDerWaalsContact C-N 3.33Å; S133-A135 PolarHBondContact O-N 3.38Å; A135-G138 CarbonylContact O-C 3.59Å; A135-G138 WeakPolarHBondContact O-CA 3.39Å; A135-G138 PolarHBondContact O-N 3.04Å; A135-F139 PolarHBondContact O-N 3.28Å |
| 136 | F | 96.9 | Very high | 93.7 | Very high | 98 Ų | 98 | 27.8 Ų | 27.8 | 43% | 0.43 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -69.7 | -36.3 | 177.1 | -74.9 | -58.7 | 0 | 0 | 0 | 113.5 | A112 M132 S133 G138 F139 G140 | A112-F136 HydrophobicContact CB-CB 3.52Å; M132-F136 HydrophobicContact CG-CD2 3.87Å; M132-F136 HydrophobicContact CG-CE2 3.53Å; M132-F136 VanDerWaalsContact O-CD2 3.3Å; M132-F136 WeakPolarHBondContact O-CD2 3.31Å; M132-F136 PolarHBondContact O-N 2.94Å; M132-F136 HydrophobicContact SD-CD2 4.25Å; M132-F136 HydrophobicContact SD-CE2 3.69Å; M132-F136 HydrophobicContact SD-CZ 4.19Å; S133-F136 PolarHBondContact O-N 3.16Å; F136-G138 VanDerWaalsContact C-N 3.26Å; F136-G138 PolarHBondContact O-N 3.03Å; F136-F139 WeakPolarHBondContact O-CB 3.49Å; F136-F139 PolarHBondContact O-N 3.12Å; F136-G140 PolarHBondContact O-N 2.87Å |
| 137 | V | 95.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.024 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 171 | 176 | 0 | 0 | 0 | 0 | 109.3 | Y78 N109 A112 S133 R134 G140 A141 | Y78-V137 HydrophobicContact CD2-CB 4.4Å; Y78-V137 HydrophobicContact CD2-CG1 3.97Å; Y78-V137 HydrophobicContact CE2-CG1 3.84Å; N109-V137 WeakPolarHBondContact ND2-CG1 3.47Å; N109-V137 PolarHBondContact ND2-O 3.48Å; A112-V137 HydrophobicContact CB-CB 4.32Å; A112-V137 HydrophobicContact CB-CG2 3.52Å; S133-V137 VanDerWaalsContact O-CG2 3.3Å; S133-V137 WeakPolarHBondContact O-CG2 3.4Å; S133-V137 PolarHBondContact O-N 2.98Å; R134-V137 PolarHBondContact O-N 3.25Å; V137-G140 PolarHBondContact O-N 3.27Å; V137-A141 PolarHBondContact O-N 3.27Å; V137-A141 VanDerWaalsContact O-N 3.08Å |
| 138 | G | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60 | -43.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y78 G81 Q82 R134 A135 F136 G140 A141 | Y78-G138 WeakPolarHBondContact O-CA 3.21Å; G81-G138 CarbonylContact C-O 3.36Å; Q82-G138 WeakPolarHBondContact CA-O 3.44Å; Q82-G138 WeakPolarHBondContact CB-O 3.46Å; Q82-G138 PolarHBondContact N-O 3Å; Q82-G138 VanDerWaalsContact N-O 3.14Å; R134-G138 PolarHBondContact O-N 3.39Å; A135-G138 CarbonylContact O-C 3.59Å; A135-G138 WeakPolarHBondContact O-CA 3.39Å; A135-G138 PolarHBondContact O-N 3.04Å; F136-G138 VanDerWaalsContact C-N 3.26Å; F136-G138 PolarHBondContact O-N 3.03Å; G138-G140 VanDerWaalsContact C-N 3.32Å; G138-G140 PolarHBondContact O-N 3.03Å; G138-A141 WeakPolarHBondContact O-CA 3.49Å; G138-A141 VanDerWaalsContact O-CB 3.25Å; G138-A141 WeakPolarHBondContact O-CB 3.29Å; G138-A141 PolarHBondContact O-N 3.3Å |
| 139 | F | 97 | Very high | 94.6 | Very high | 58 Ų | 58 | 19.7 Ų | 19.7 | 25% | 0.254 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -60 | -43.5 | 175.6 | -166.7 | -85.6 | 0 | 0 | 0 | 111.4 | V84 A85 L88 F89 I108 A135 F136 A141 G142 | V84-F139 HydrophobicContact CG1-CE2 4.49Å; A85-F139 HydrophobicContact CB-CB 4.35Å; A85-F139 HydrophobicContact CB-CD1 4.15Å; A85-F139 HydrophobicContact CB-CD2 3.71Å; A85-F139 HydrophobicContact CB-CE1 4.38Å; A85-F139 HydrophobicContact CB-CE2 3.95Å; A85-F139 HydrophobicContact CB-CG 3.82Å; A85-F139 HydrophobicContact CB-CZ 4.28Å; A85-F139 WeakPolarHBondContact CB-O 3.33Å; L88-F139 HydrophobicContact CD1-CE2 4.21Å; L88-F139 HydrophobicContact CD1-CZ 4.19Å; F89-F139 AromaticContact CE2-CD1 3.96Å; F89-F139 HydrophobicContact CE2-CD1 3.96Å; F89-F139 AromaticContact CE2-CE1 3.67Å; F89-F139 HydrophobicContact CE2-CE1 3.67Å; F89-F139 HydrophobicContact CE2-CZ 4.4Å; F89-F139 HydrophobicContact CZ-CD1 4.31Å; F89-F139 AromaticContact CZ-CE1 3.82Å; F89-F139 HydrophobicContact CZ-CE1 3.82Å; I108-F139 HydrophobicContact CD1-CD1 4.03Å; I108-F139 HydrophobicContact CD1-CE1 4Å; I108-F139 HydrophobicContact CG2-CD1 4.22Å; A135-F139 PolarHBondContact O-N 3.28Å; F136-F139 WeakPolarHBondContact O-CB 3.49Å; F136-F139 PolarHBondContact O-N 3.12Å; F139-A141 PolarHBondContact O-N 2.96Å; F139-G142 PolarHBondContact O-N 2.78Å; F139-G142 VanDerWaalsContact O-N 3.1Å |
| 140 | G | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.6 | -26 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114 | S105 F136 V137 G138 G142 N143 | S105-G140 WeakPolarHBondContact CB-O 3.3Å; S105-G140 VanDerWaalsContact O-CA 3.27Å; S105-G140 WeakPolarHBondContact O-CA 3.48Å; F136-G140 PolarHBondContact O-N 2.87Å; V137-G140 PolarHBondContact O-N 3.27Å; G138-G140 VanDerWaalsContact C-N 3.32Å; G138-G140 PolarHBondContact O-N 3.03Å; G140-G142 PolarHBondContact O-N 2.74Å; G140-N143 PolarHBondContact O-N 3.32Å |
| 141 | A | 94.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 17 Ų | 17 | 2% | 0.017 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -1.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y78 Q82 V137 G138 F139 N143 V144 | Y78-A141 HydrophobicContact CE1-CB 4.29Å; Y78-A141 HydrophobicContact CE2-CB 4.03Å; Y78-A141 WeakPolarHBondContact OH-CB 3.18Å; Q82-A141 HydrophobicContact CB-CB 4.36Å; Q82-A141 HydrophobicContact CG-CB 4.14Å; Q82-A141 PolarHBondContact NE2-O 2.94Å; V137-A141 PolarHBondContact O-N 3.27Å; V137-A141 VanDerWaalsContact O-N 3.08Å; G138-A141 WeakPolarHBondContact O-CA 3.49Å; G138-A141 VanDerWaalsContact O-CB 3.25Å; G138-A141 WeakPolarHBondContact O-CB 3.29Å; G138-A141 PolarHBondContact O-N 3.3Å; F139-A141 PolarHBondContact O-N 2.96Å; A141-N143 WeakPolarHBondContact CA-OD1 3.38Å; A141-N143 PolarHBondContact O-N 3.26Å; A141-N143 VanDerWaalsContact O-N 3.15Å; A141-N143 PolarHBondContact O-OD1 3.33Å; A141-V144 WeakPolarHBondContact O-CB 3.49Å; A141-V144 WeakPolarHBondContact O-CG2 3.28Å; A141-V144 PolarHBondContact O-N 3.36Å |
| 142 | G | 93.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -15.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F139 G140 V144 A145 | F139-G142 PolarHBondContact O-N 2.78Å; F139-G142 VanDerWaalsContact O-N 3.1Å; G140-G142 PolarHBondContact O-N 2.74Å; G142-V144 PolarHBondContact O-N 3.42Å; G142-V144 VanDerWaalsContact O-N 3.13Å; G142-A145 PolarHBondContact O-N 3.44Å; G142-A145 VanDerWaalsContact O-N 3.13Å |
| 143 | N | 93.7 | Very high | 94.2 | Very high | 3 Ų | 3 | 11.1 Ų | 11.1 | 2% | 0.016 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -52.4 | -30 | 172.1 | 71.2 | -12.1 | 0 | 0 | 0 | 113.6 | S44 L102 S105 G140 A141 A145 V146 V147 | S44-N143 PolarHBondContact OG-ND2 3Å; L102-N143 HydrophobicContact CD1-CB 3.91Å; S105-N143 VanDerWaalsContact OG-CB 3.26Å; S105-N143 WeakPolarHBondContact OG-CB 3.4Å; G140-N143 PolarHBondContact O-N 3.32Å; A141-N143 WeakPolarHBondContact CA-OD1 3.38Å; A141-N143 PolarHBondContact O-N 3.26Å; A141-N143 VanDerWaalsContact O-N 3.15Å; A141-N143 PolarHBondContact O-OD1 3.33Å; N143-A145 VanDerWaalsContact C-N 3.25Å; N143-A145 PolarHBondContact O-N 2.71Å; N143-V146 PolarHBondContact O-N 2.69Å; N143-V146 VanDerWaalsContact O-N 3.09Å; N143-V147 VanDerWaalsContact O-CG2 3.32Å; N143-V147 WeakPolarHBondContact O-CG2 3.23Å; N143-V147 PolarHBondContact O-N 3.06Å |
| 144 | V | 93.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 11.1 Ų | 11.1 | 3% | 0.03 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -54.8 | -40.3 | 177.9 | 171 | 0 | 0 | 0 | 0 | 111.7 | M41 A141 G142 R148 T447 | M41-V144 HydrophobicContact CE-CB 4.45Å; M41-V144 HydrophobicContact CE-CG1 3.89Å; M41-V144 HydrophobicContact SD-CB 4.45Å; M41-V144 HydrophobicContact SD-CG1 4.16Å; M41-V144 HydrophobicContact SD-CG2 3.92Å; A141-V144 WeakPolarHBondContact O-CB 3.49Å; A141-V144 WeakPolarHBondContact O-CG2 3.28Å; A141-V144 PolarHBondContact O-N 3.36Å; G142-V144 PolarHBondContact O-N 3.42Å; G142-V144 VanDerWaalsContact O-N 3.13Å; V144-R148 VanDerWaalsContact O-CG 3.3Å; V144-R148 WeakPolarHBondContact O-CG 3.23Å; V144-R148 PolarHBondContact O-N 3.3Å; V144-R148 VanDerWaalsContact O-N 3.08Å; V144-T447 HydrophobicContact CB-CG2 4.27Å; V144-T447 HydrophobicContact CG1-CG2 3.93Å |
| 145 | A | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.9 | -41.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G142 N143 R148 S149 | G142-A145 PolarHBondContact O-N 3.44Å; G142-A145 VanDerWaalsContact O-N 3.13Å; N143-A145 VanDerWaalsContact C-N 3.25Å; N143-A145 PolarHBondContact O-N 2.71Å; A145-R148 PolarHBondContact O-N 3.49Å; A145-S149 WeakPolarHBondContact O-CB 3.47Å; A145-S149 PolarHBondContact O-N 3.4Å |
| 146 | V | 94.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.006 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65.6 | -44.3 | 178.4 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | F89 R98 P101 L102 N143 R148 S149 Y150 | F89-V146 HydrophobicContact CB-CG2 3.74Å; R98-V146 HydrophobicContact CB-CG1 4.13Å; R98-V146 HydrophobicContact CG-CG1 4.26Å; P101-V146 HydrophobicContact CB-CG2 4.31Å; P101-V146 HydrophobicContact CG-CG1 4.27Å; P101-V146 HydrophobicContact CG-CG2 4.45Å; L102-V146 HydrophobicContact CB-CG1 4.36Å; N143-V146 PolarHBondContact O-N 2.69Å; N143-V146 VanDerWaalsContact O-N 3.09Å; V146-R148 PolarHBondContact O-N 3.1Å; V146-S149 PolarHBondContact O-N 3.48Å; V146-Y150 WeakPolarHBondContact O-CB 3.43Å; V146-Y150 PolarHBondContact O-N 3.35Å |
| 147 | V | 95.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 7.1 Ų | 7.1 | 1% | 0.006 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -59.7 | -46.7 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | M37 T40 M41 L102 N143 Y150 V151 M167 | M37-V147 HydrophobicContact CB-CG1 3.96Å; M37-V147 HydrophobicContact CG-CG1 4.49Å; M37-V147 HydrophobicContact SD-CB 4.42Å; M37-V147 HydrophobicContact SD-CG1 4.32Å; M37-V147 HydrophobicContact SD-CG2 4.02Å; T40-V147 HydrophobicContact CG2-CG2 3.89Å; M41-V147 HydrophobicContact CE-CB 4.24Å; M41-V147 HydrophobicContact CE-CG1 3.84Å; L102-V147 HydrophobicContact CD1-CG2 3.75Å; N143-V147 VanDerWaalsContact O-CG2 3.32Å; N143-V147 WeakPolarHBondContact O-CG2 3.23Å; N143-V147 PolarHBondContact O-N 3.06Å; V147-Y150 PolarHBondContact O-N 3.15Å; V147-V151 PolarHBondContact O-N 2.86Å; V147-M167 HydrophobicContact CG1-CE 3.96Å; V147-M167 HydrophobicContact CG1-SD 4.06Å |
| 148 | R | 93 | Very high | 92.3 | Very high | 11 Ų | 11 | 16.3 Ų | 16.3 | 4% | 0.042 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 177.8 | -73 | 171.8 | -176.1 | 164.5 | -2.8 | 111.8 | M41 V144 A145 V146 Y150 V151 A152 M167 Y427 M443 T447 | M41-R148 HydrophobicContact CE-CG 4.15Å; V144-R148 VanDerWaalsContact O-CG 3.3Å; V144-R148 WeakPolarHBondContact O-CG 3.23Å; V144-R148 PolarHBondContact O-N 3.3Å; V144-R148 VanDerWaalsContact O-N 3.08Å; A145-R148 PolarHBondContact O-N 3.49Å; V146-R148 PolarHBondContact O-N 3.1Å; R148-Y150 PolarHBondContact O-N 2.93Å; R148-V151 PolarHBondContact O-N 3.02Å; R148-A152 WeakPolarHBondContact O-CB 3.39Å; R148-A152 PolarHBondContact O-N 3.28Å; R148-M167 HydrophobicContact CG-SD 3.8Å; R148-Y427 VanDerWaalsContact CZ-CZ 3.41Å; R148-Y427 VanDerWaalsContact NH2-CZ 3.29Å; R148-Y427 PolarHBondContact NH2-OH 3.36Å; R148-M443 HydrophobicContact CB-CB 4.46Å; R148-M443 HydrophobicContact CB-CG 4.33Å; R148-M443 HydrophobicContact CB-SD 4.12Å; R148-T447 PolarHBondContact NH1-OG1 3.02Å |
| 149 | S | 92.6 | Very high | 92 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 3% | 0.028 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | 175.7 | 179 | 0 | 0 | 0 | 0 | 112.2 | A145 V146 A152 G153 G440 | A145-S149 WeakPolarHBondContact O-CB 3.47Å; A145-S149 PolarHBondContact O-N 3.4Å; V146-S149 PolarHBondContact O-N 3.48Å; S149-A152 PolarHBondContact O-N 2.97Å; S149-G153 PolarHBondContact O-N 2.9Å; S149-G440 VanDerWaalsContact OG-CA 3.32Å; S149-G440 WeakPolarHBondContact OG-CA 3.48Å; S149-G440 PolarHBondContact OG-N 3.31Å; S149-G440 VanDerWaalsContact OG-N 3.1Å |
| 150 | Y | 92.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 0% | 0.004 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.9 | -53.1 | 176.3 | -178.7 | -84.5 | 0 | 0 | 0 | 111.4 | S33 I34 M37 R98 V146 V147 R148 A152 G153 A154 L227 K228 E229 H230 | S33-Y150 WeakPolarHBondContact CB-OH 3.27Å; I34-Y150 HydrophobicContact CG1-CE1 4.45Å; M37-Y150 HydrophobicContact CG-CD1 3.46Å; M37-Y150 VanDerWaalsContact CG-CD1 3.46Å; M37-Y150 HydrophobicContact CG-CE1 3.95Å; M37-Y150 HydrophobicContact CG-CG 4.12Å; M37-Y150 HydrophobicContact SD-CD1 4.23Å; M37-Y150 HydrophobicContact SD-CG 4.3Å; R98-Y150 HydrophobicContact CB-CD2 4.19Å; V146-Y150 WeakPolarHBondContact O-CB 3.43Å; V146-Y150 PolarHBondContact O-N 3.35Å; V147-Y150 PolarHBondContact O-N 3.15Å; R148-Y150 PolarHBondContact O-N 2.93Å; Y150-A152 VanDerWaalsContact C-N 3.31Å; Y150-A152 PolarHBondContact O-N 3.46Å; Y150-G153 PolarHBondContact O-N 3.38Å; Y150-A154 HydrophobicContact CD1-CB 4.2Å; Y150-A154 HydrophobicContact CE1-CB 3.85Å; Y150-A154 VanDerWaalsContact O-CB 3.24Å; Y150-A154 WeakPolarHBondContact O-CB 3.47Å; Y150-A154 PolarHBondContact O-N 3.49Å; Y150-L227 HydrophobicContact CE1-CD1 4.43Å; Y150-L227 HydrophobicContact CE2-CD1 4.02Å; Y150-K228 PolarHBondContact OH-O 2.97Å; Y150-E229 WeakPolarHBondContact CE2-OE2 3.44Å; Y150-H230 PolarHBondContact OH-ND1 2.97Å |
| 151 | V | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.3 | -36.3 | -176.6 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | I34 M37 Y38 V147 R148 A154 T155 A163 M164 M167 | I34-V151 HydrophobicContact CG2-CG1 4.44Å; I34-V151 HydrophobicContact CG2-CG2 4.4Å; M37-V151 HydrophobicContact CB-CG2 3.69Å; M37-V151 HydrophobicContact CG-CG2 4.02Å; Y38-V151 HydrophobicContact CE1-CG1 4.41Å; V147-V151 PolarHBondContact O-N 2.86Å; R148-V151 PolarHBondContact O-N 3.02Å; V151-A154 PolarHBondContact O-N 3.11Å; V151-T155 HydrophobicContact CG1-CG2 4.17Å; V151-T155 WeakPolarHBondContact O-CB 3.33Å; V151-T155 WeakPolarHBondContact O-CG2 3.16Å; V151-T155 PolarHBondContact O-N 3.32Å; V151-T155 PolarHBondContact O-OG1 2.88Å; V151-A163 HydrophobicContact CG1-CB 3.9Å; V151-M164 HydrophobicContact CB-CE 4.46Å; V151-M164 HydrophobicContact CG1-CE 4.33Å; V151-M167 HydrophobicContact CB-CE 3.34Å; V151-M167 HydrophobicContact CG1-CE 3.71Å; V151-M167 HydrophobicContact CG2-CE 3.23Å |
| 152 | A | 90.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R148 S149 Y150 T155 R160 M164 M443 | R148-A152 WeakPolarHBondContact O-CB 3.39Å; R148-A152 PolarHBondContact O-N 3.28Å; S149-A152 PolarHBondContact O-N 2.97Å; Y150-A152 VanDerWaalsContact C-N 3.31Å; Y150-A152 PolarHBondContact O-N 3.46Å; A152-T155 PolarHBondContact O-OG1 3.36Å; A152-R160 PolarHBondContact O-NE 3.35Å; A152-M164 HydrophobicContact CB-CE 3.51Å; A152-M443 HydrophobicContact CB-CE 4.28Å |
| 153 | G | 88.1 | Confident | 91.3 | Very high | 13 Ų | 13 | 16.7 Ų | 16.7 | 13% | 0.134 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -75.1 | -24.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | S149 Y150 C231 V232 | S149-G153 PolarHBondContact O-N 2.9Å; Y150-G153 PolarHBondContact O-N 3.38Å; G153-C231 WeakPolarHBondContact O-CA 3.37Å; G153-V232 PolarHBondContact O-N 2.95Å |
| 154 | A | 89.3 | Confident | 91.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 4.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | R30 I34 Y150 V151 | R30-A154 VanDerWaalsContact CD-O 3.28Å; R30-A154 WeakPolarHBondContact CD-O 3.47Å; I34-A154 HydrophobicContact CD1-CB 4.26Å; I34-A154 HydrophobicContact CG1-CB 4.17Å; Y150-A154 HydrophobicContact CD1-CB 4.2Å; Y150-A154 HydrophobicContact CE1-CB 3.85Å; Y150-A154 VanDerWaalsContact O-CB 3.24Å; Y150-A154 WeakPolarHBondContact O-CB 3.47Å; Y150-A154 PolarHBondContact O-N 3.49Å; V151-A154 PolarHBondContact O-N 3.11Å |
| 155 | T | 90.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -125 | 141.7 | -178.1 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | I34 V151 A152 E159 R160 A163 | I34-T155 HydrophobicContact CD1-CG2 3.8Å; V151-T155 HydrophobicContact CG1-CG2 4.17Å; V151-T155 WeakPolarHBondContact O-CB 3.33Å; V151-T155 WeakPolarHBondContact O-CG2 3.16Å; V151-T155 PolarHBondContact O-N 3.32Å; V151-T155 PolarHBondContact O-OG1 2.88Å; A152-T155 PolarHBondContact O-OG1 3.36Å; T155-E159 HydrophobicContact CG2-CB 4.49Å; T155-R160 PolarHBondContact O-NH2 3.36Å; T155-A163 HydrophobicContact CG2-CB 3.61Å |
| 156 | S | 88.1 | Confident | 91.1 | Very high | 13 Ų | 13 | 19 Ų | 19 | 9% | 0.091 | 10% | 0.097 | C | C | . | . | trans | -69.2 | 165.4 | 170 | 61.9 | 0 | 0 | 0 | 0 | 111.7 | K158 E159 R160 E234 | S156-K158 PolarHBondContact O-N 3.42Å; S156-E159 WeakPolarHBondContact CB-OE2 3.33Å; S156-E159 PolarHBondContact N-OE2 2.69Å; S156-E159 VanDerWaalsContact N-OE2 3.14Å; S156-E159 PolarHBondContact O-N 3.07Å; S156-E159 VanDerWaalsContact O-N 3.12Å; S156-E159 WeakPolarHBondContact OG-CB 3.1Å; S156-E159 VanDerWaalsContact OG-CD 3.23Å; S156-E159 WeakPolarHBondContact OG-CG 3.48Å; S156-E159 PolarHBondContact OG-N 3.47Å; S156-E159 PolarHBondContact OG-OE2 3.5Å; S156-R160 WeakPolarHBondContact O-CB 3.45Å; S156-R160 PolarHBondContact O-N 2.91Å; S156-E234 WeakPolarHBondContact CB-O 3.37Å | ||
| 157 | L | 84.9 | Confident | 91.1 | Very high | 34 Ų | 34 | 19.2 Ų | 19.2 | 18% | 0.178 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.8 | -37.5 | 179.4 | -168.6 | 102 | 0 | 0 | 0 | 112.2 | E234 K432 A497 | L157-E234 HydrophobicContact CB-CB 4.49Å; L157-E234 PolarHBondContact N-O 3.47Å; L157-K432 HydrophobicContact CD1-CB 4.44Å; L157-K432 HydrophobicContact CD1-CD 4.21Å; L157-K432 HydrophobicContact CD1-CG 3.99Å; L157-K432 HydrophobicContact CG-CD 4.49Å; L157-A497 HydrophobicContact CD1-CB 3.9Å |
| 158 | K | 85.9 | Confident | 90.9 | Very high | 197 Ų | 197 | 19.4 Ų | 19.4 | 86% | 0.857 | 10% | 0.099 | S | C | * | . | H | α-helix | trans | -71 | -36.4 | 178.5 | -172.8 | 177.5 | -179.3 | 178.8 | 0 | 112.9 | S156 | S156-K158 PolarHBondContact O-N 3.42Å |
| 159 | E | 90.6 | Very high | 90.9 | Very high | 40 Ų | 40 | 19.3 Ų | 19.3 | 19% | 0.187 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -81.4 | -24.4 | 179.2 | -67.7 | 166.2 | 139.2 | 0 | 0 | 112.5 | R30 W31 T155 S156 T161 G162 A163 | R30-E159 IonicContact CZ-OE2 2.69Å; R30-E159 IonicContact NH2-OE1 2.71Å; R30-E159 PolarHBondContact NH2-OE1 2.99Å; R30-E159 IonicContact NH2-OE2 3.65Å; R30-E159 PolarHBondContact NH2-OE2 3.26Å; R30-E159 VanDerWaalsContact NH2-OE2 3.13Å; W31-E159 HydrophobicContact CZ2-CB 4.4Å; W31-E159 HydrophobicContact CZ2-CG 4.12Å; W31-E159 WeakPolarHBondContact CZ2-OE1 3.21Å; T155-E159 HydrophobicContact CG2-CB 4.49Å; S156-E159 WeakPolarHBondContact CB-OE2 3.33Å; S156-E159 PolarHBondContact N-OE2 2.69Å; S156-E159 VanDerWaalsContact N-OE2 3.14Å; S156-E159 PolarHBondContact O-N 3.07Å; S156-E159 VanDerWaalsContact O-N 3.12Å; S156-E159 WeakPolarHBondContact OG-CB 3.1Å; S156-E159 VanDerWaalsContact OG-CD 3.23Å; S156-E159 WeakPolarHBondContact OG-CG 3.48Å; S156-E159 PolarHBondContact OG-N 3.47Å; S156-E159 PolarHBondContact OG-OE2 3.5Å; E159-T161 PolarHBondContact O-N 2.82Å; E159-G162 PolarHBondContact O-N 3.19Å; E159-A163 WeakPolarHBondContact O-CB 3.26Å; E159-A163 PolarHBondContact O-N 3.27Å |
| 160 | R | 90 | Very high | 90.9 | Very high | 6 Ų | 6 | 20.7 Ų | 20.7 | 2% | 0.023 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.8 | -51.1 | -167.8 | -161.7 | 159.9 | -63.3 | 138.8 | -1.6 | 113.9 | A152 T155 S156 G162 A163 M164 S431 | A152-R160 PolarHBondContact O-NE 3.35Å; T155-R160 PolarHBondContact O-NH2 3.36Å; S156-R160 WeakPolarHBondContact O-CB 3.45Å; S156-R160 PolarHBondContact O-N 2.91Å; R160-G162 VanDerWaalsContact C-N 3.34Å; R160-G162 PolarHBondContact O-N 3.45Å; R160-A163 PolarHBondContact O-N 3.35Å; R160-M164 WeakPolarHBondContact O-CB 3.48Å; R160-M164 WeakPolarHBondContact O-CG 3.33Å; R160-M164 PolarHBondContact O-N 2.95Å; R160-S431 WeakPolarHBondContact CD-OG 3.32Å; R160-S431 WeakPolarHBondContact CG-OG 3.5Å |
| 161 | T | 91.1 | Very high | 90.9 | Very high | 13 Ų | 13 | 21.6 Ų | 21.6 | 8% | 0.08 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.8 | -47 | 179.5 | -52.5 | 0 | 0 | 0 | 0 | 111 | E159 A163 M164 A165 A327 D332 M425 T428 K432 | E159-T161 PolarHBondContact O-N 2.82Å; T161-A163 PolarHBondContact O-N 2.61Å; T161-M164 PolarHBondContact O-N 3.05Å; T161-A165 WeakPolarHBondContact O-CB 3.42Å; T161-A165 PolarHBondContact O-N 3.27Å; T161-A327 HydrophobicContact CG2-CB 3.66Å; T161-D332 PolarHBondContact OG1-OD1 3.41Å; T161-M425 HydrophobicContact CG2-CE 3.69Å; T161-T428 HydrophobicContact CG2-CG2 4.01Å; T161-T428 WeakPolarHBondContact OG1-CG2 3.44Å; T161-K432 PolarHBondContact OG1-NZ 2.82Å |
| 162 | G | 91.2 | Very high | 90.8 | Very high | 9 Ų | 9 | 22.4 Ų | 22.4 | 9% | 0.093 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.2 | -38 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E159 R160 A165 N166 | E159-G162 PolarHBondContact O-N 3.19Å; R160-G162 VanDerWaalsContact C-N 3.34Å; R160-G162 PolarHBondContact O-N 3.45Å; G162-A165 PolarHBondContact O-N 2.93Å; G162-N166 VanDerWaalsContact O-CG 3.28Å; G162-N166 PolarHBondContact O-N 3.4Å; G162-N166 PolarHBondContact O-ND2 3.3Å |
| 163 | A | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.9 | -39.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y38 V151 T155 E159 R160 T161 M167 | Y38-A163 VanDerWaalsContact CE1-O 3.31Å; Y38-A163 WeakPolarHBondContact CE1-O 3.4Å; Y38-A163 WeakPolarHBondContact OH-CA 3.48Å; Y38-A163 VanDerWaalsContact OH-CB 3.32Å; Y38-A163 WeakPolarHBondContact OH-CB 3.48Å; Y38-A163 PolarHBondContact OH-O 3.19Å; V151-A163 HydrophobicContact CG1-CB 3.9Å; T155-A163 HydrophobicContact CG2-CB 3.61Å; E159-A163 WeakPolarHBondContact O-CB 3.26Å; E159-A163 PolarHBondContact O-N 3.27Å; R160-A163 PolarHBondContact O-N 3.35Å; T161-A163 PolarHBondContact O-N 2.61Å; A163-M167 PolarHBondContact O-N 3.47Å |
| 164 | M | 92.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.5 | -40.5 | 173.9 | -69 | -61.4 | 173.6 | 0 | 0 | 111.6 | V151 A152 R160 T161 N166 M167 S168 | V151-M164 HydrophobicContact CB-CE 4.46Å; V151-M164 HydrophobicContact CG1-CE 4.33Å; A152-M164 HydrophobicContact CB-CE 3.51Å; R160-M164 WeakPolarHBondContact O-CB 3.48Å; R160-M164 WeakPolarHBondContact O-CG 3.33Å; R160-M164 PolarHBondContact O-N 2.95Å; T161-M164 PolarHBondContact O-N 3.05Å; M164-N166 PolarHBondContact O-N 3.06Å; M164-M167 WeakPolarHBondContact O-CB 3.4Å; M164-M167 PolarHBondContact O-N 3.49Å; M164-M167 HydrophobicContact SD-CE 4.34Å; M164-S168 PolarHBondContact O-N 3.35Å; M164-S168 PolarHBondContact O-OG 3.4Å |
| 165 | A | 92.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.8 | -46.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T161 G162 M167 S168 A169 V424 | T161-A165 WeakPolarHBondContact O-CB 3.42Å; T161-A165 PolarHBondContact O-N 3.27Å; G162-A165 PolarHBondContact O-N 2.93Å; A165-M167 PolarHBondContact O-N 2.97Å; A165-S168 PolarHBondContact O-N 3.2Å; A165-A169 PolarHBondContact O-N 3.05Å; A165-V424 HydrophobicContact CB-CG1 3.82Å |
| 166 | N | 93.8 | Very high | 90.9 | Very high | 54 Ų | 54 | 29.7 Ų | 29.7 | 29% | 0.289 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 176.9 | -72.9 | -18.8 | 0 | 0 | 0 | 112.2 | Y38 G162 M164 A169 C170 | Y38-N166 HydrophobicContact CE1-CB 4.45Å; Y38-N166 HydrophobicContact CE2-CB 3.89Å; G162-N166 VanDerWaalsContact O-CG 3.28Å; G162-N166 PolarHBondContact O-N 3.4Å; G162-N166 PolarHBondContact O-ND2 3.3Å; M164-N166 PolarHBondContact O-N 3.06Å; N166-A169 PolarHBondContact O-N 3.34Å; N166-C170 PolarHBondContact O-N 3.48Å; N166-C170 PolarHBondContact O-SG 3.4Å |
| 167 | M | 93.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.02 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 174.6 | -175.4 | -170.8 | -61.5 | 0 | 0 | 111.5 | Y38 M41 V147 R148 V151 A163 M164 A165 A169 C170 Q171 | Y38-M167 HydrophobicContact CD1-CB 3.8Å; Y38-M167 HydrophobicContact CD1-CG 4.27Å; Y38-M167 HydrophobicContact CE1-CB 3.83Å; Y38-M167 HydrophobicContact CE1-CE 4.48Å; M41-M167 HydrophobicContact CB-CG 4.24Å; M41-M167 HydrophobicContact CE-CG 3.93Å; M41-M167 HydrophobicContact CE-SD 3.44Å; M41-M167 WeakPolarHBondContact CE-SD 3.35Å; M41-M167 HydrophobicContact CG-CG 4.09Å; V147-M167 HydrophobicContact CG1-CE 3.96Å; V147-M167 HydrophobicContact CG1-SD 4.06Å; R148-M167 HydrophobicContact CG-SD 3.8Å; V151-M167 HydrophobicContact CB-CE 3.34Å; V151-M167 HydrophobicContact CG1-CE 3.71Å; V151-M167 HydrophobicContact CG2-CE 3.23Å; A163-M167 PolarHBondContact O-N 3.47Å; M164-M167 WeakPolarHBondContact O-CB 3.4Å; M164-M167 PolarHBondContact O-N 3.49Å; M164-M167 HydrophobicContact SD-CE 4.34Å; A165-M167 PolarHBondContact O-N 2.97Å; M167-A169 VanDerWaalsContact C-N 3.33Å; M167-C170 PolarHBondContact O-N 2.91Å; M167-Q171 PolarHBondContact O-N 2.87Å |
| 168 | S | 91.9 | Very high | 91.4 | Very high | 5 Ų | 5 | 31 Ų | 31 | 4% | 0.035 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65 | -35.8 | 176.7 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | M164 A165 Q171 A172 | M164-S168 PolarHBondContact O-N 3.35Å; M164-S168 PolarHBondContact O-OG 3.4Å; A165-S168 PolarHBondContact O-N 3.2Å; S168-Q171 WeakPolarHBondContact O-CB 3.5Å; S168-Q171 PolarHBondContact O-N 2.87Å; S168-A172 WeakPolarHBondContact O-CB 3.39Å; S168-A172 PolarHBondContact O-N 3.35Å |
| 169 | A | 92.5 | Very high | 91.5 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 8% | 0.083 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A165 N166 M167 Q171 A172 L173 F320 | A165-A169 PolarHBondContact O-N 3.05Å; N166-A169 PolarHBondContact O-N 3.34Å; M167-A169 VanDerWaalsContact C-N 3.33Å; A169-Q171 VanDerWaalsContact C-N 3.33Å; A169-Q171 PolarHBondContact O-N 3.03Å; A169-A172 PolarHBondContact O-N 3.12Å; A169-L173 WeakPolarHBondContact O-CB 3.36Å; A169-L173 WeakPolarHBondContact O-CG 3.32Å; A169-L173 PolarHBondContact O-N 2.72Å; A169-F320 VanDerWaalsContact CA-CD2 3.46Å; A169-F320 HydrophobicContact CB-CB 4.3Å; A169-F320 HydrophobicContact CB-CD2 3.6Å; A169-F320 HydrophobicContact CB-CE2 4.29Å; A169-F320 HydrophobicContact CB-CG 4.24Å |
| 170 | C | 93.8 | Very high | 91.3 | Very high | 32 Ų | 32 | 24.3 Ų | 24.3 | 22% | 0.216 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 173.4 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | F42 N166 M167 G174 | F42-C170 HydrophobicContact CB-CB 4.21Å; F42-C170 WeakPolarHBondContact CD2-O 3.33Å; N166-C170 PolarHBondContact O-N 3.48Å; N166-C170 PolarHBondContact O-SG 3.4Å; M167-C170 PolarHBondContact O-N 2.91Å; C170-G174 PolarHBondContact O-N 3.25Å; C170-G174 VanDerWaalsContact O-N 3.07Å |
| 171 | Q | 92.8 | Very high | 91.3 | Very high | 21 Ų | 21 | 27 Ų | 27 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.5 | -48.6 | 173.9 | 173 | 151.4 | 62.4 | 0 | 0 | 112 | M41 S45 M167 S168 A169 G174 F175 | M41-Q171 HydrophobicContact CG-CB 3.81Å; M41-Q171 HydrophobicContact CG-CG 4.5Å; S45-Q171 WeakPolarHBondContact CB-O 3.5Å; S45-Q171 WeakPolarHBondContact OG-CG 3.09Å; S45-Q171 PolarHBondContact OG-NE2 2.73Å; M167-Q171 PolarHBondContact O-N 2.87Å; S168-Q171 WeakPolarHBondContact O-CB 3.5Å; S168-Q171 PolarHBondContact O-N 2.87Å; A169-Q171 VanDerWaalsContact C-N 3.33Å; A169-Q171 PolarHBondContact O-N 3.03Å; Q171-G174 PolarHBondContact O-N 3.28Å; Q171-G174 VanDerWaalsContact O-N 3.12Å; Q171-F175 HydrophobicContact CG-CD2 4.32Å; Q171-F175 HydrophobicContact CG-CE2 3.78Å; Q171-F175 HydrophobicContact CG-CZ 3.92Å; Q171-F175 PolarHBondContact O-N 3.4Å |
| 172 | A | 90.4 | Very high | 91.2 | Very high | 17 Ų | 17 | 27.2 Ų | 27.2 | 14% | 0.14 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | S168 A169 G174 F175 I176 F320 | S168-A172 WeakPolarHBondContact O-CB 3.39Å; S168-A172 PolarHBondContact O-N 3.35Å; A169-A172 PolarHBondContact O-N 3.12Å; A172-G174 PolarHBondContact O-N 2.91Å; A172-F175 PolarHBondContact O-N 3.16Å; A172-F175 VanDerWaalsContact O-N 3.11Å; A172-I176 WeakPolarHBondContact O-CG1 3.5Å; A172-I176 PolarHBondContact O-N 3.19Å; A172-F320 HydrophobicContact CB-CE2 3.68Å; A172-F320 HydrophobicContact CB-CZ 4.21Å |
| 173 | L | 91.9 | Very high | 91 | Very high | 65 Ų | 65 | 29.2 Ų | 29.2 | 34% | 0.34 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -55.8 | -41.1 | 172.5 | -81 | 168.3 | 0 | 0 | 0 | 111.8 | F42 A169 I176 L177 I317 | F42-L173 HydrophobicContact CD2-CB 4.22Å; F42-L173 HydrophobicContact CE2-CB 4.18Å; A169-L173 WeakPolarHBondContact O-CB 3.36Å; A169-L173 WeakPolarHBondContact O-CG 3.32Å; A169-L173 PolarHBondContact O-N 2.72Å; L173-I176 PolarHBondContact O-N 2.91Å; L173-L177 WeakPolarHBondContact O-CB 3.44Å; L173-L177 WeakPolarHBondContact O-CG 3.33Å; L173-L177 PolarHBondContact O-N 3.15Å; L173-I317 HydrophobicContact CD2-CD1 3.42Å; L173-I317 VanDerWaalsContact CD2-CD1 3.42Å; L173-I317 HydrophobicContact CD2-CG1 4.43Å; L173-I317 HydrophobicContact CG-CD1 3.86Å; L173-I317 HydrophobicContact CG-CG1 4.39Å |
| 174 | G | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V46 T49 C170 Q171 A172 I176 L177 G178 | V46-G174 WeakPolarHBondContact CA-O 3.34Å; V46-G174 VanDerWaalsContact CG2-CA 3.46Å; T49-G174 PolarHBondContact OG1-O 3.45Å; C170-G174 PolarHBondContact O-N 3.25Å; C170-G174 VanDerWaalsContact O-N 3.07Å; Q171-G174 PolarHBondContact O-N 3.28Å; Q171-G174 VanDerWaalsContact O-N 3.12Å; A172-G174 PolarHBondContact O-N 2.91Å; G174-I176 VanDerWaalsContact C-N 3.34Å; G174-I176 PolarHBondContact O-N 2.91Å; G174-L177 PolarHBondContact O-N 3.3Å; G174-G178 PolarHBondContact O-N 3.45Å |
| 175 | F | 88.7 | Confident | 90.5 | Very high | 64 Ų | 64 | 34.5 Ų | 34.5 | 28% | 0.281 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.3 | -34.5 | 175.6 | -68.3 | -22.5 | 0 | 0 | 0 | 113.5 | F48 T49 Q171 A172 P179 | F48-F175 HydrophobicContact CD1-CD1 4.18Å; F48-F175 AromaticContact CD1-CE1 3.64Å; F48-F175 HydrophobicContact CD1-CE1 3.64Å; F48-F175 HydrophobicContact CD1-CZ 4.43Å; F48-F175 HydrophobicContact CE1-CE1 4.28Å; T49-F175 HydrophobicContact CG2-CB 4.12Å; T49-F175 HydrophobicContact CG2-CD1 3.43Å; T49-F175 VanDerWaalsContact CG2-CD1 3.43Å; T49-F175 HydrophobicContact CG2-CE1 4.18Å; T49-F175 HydrophobicContact CG2-CG 4.09Å; Q171-F175 HydrophobicContact CG-CD2 4.32Å; Q171-F175 HydrophobicContact CG-CE2 3.78Å; Q171-F175 HydrophobicContact CG-CZ 3.92Å; Q171-F175 PolarHBondContact O-N 3.4Å; A172-F175 PolarHBondContact O-N 3.16Å; A172-F175 VanDerWaalsContact O-N 3.11Å; F175-P179 WeakPolarHBondContact O-CD 3.3Å |
| 176 | I | 88.3 | Confident | 90.1 | Very high | 37 Ų | 37 | 37 Ų | 37 | 19% | 0.19 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -73.8 | -44.1 | 176.4 | -61.8 | 158.9 | 0 | 0 | 0 | 110.7 | A172 L173 G174 I317 | A172-I176 WeakPolarHBondContact O-CG1 3.5Å; A172-I176 PolarHBondContact O-N 3.19Å; L173-I176 PolarHBondContact O-N 2.91Å; G174-I176 VanDerWaalsContact C-N 3.34Å; G174-I176 PolarHBondContact O-N 2.91Å; I176-I317 HydrophobicContact CD1-CD1 4.36Å |
| 177 | L | 90.9 | Very high | 89.6 | Confident | 74 Ų | 74 | 43.2 Ų | 43.2 | 39% | 0.387 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -73.4 | -26.7 | -175.6 | -75.9 | 179 | 0 | 0 | 0 | 113.6 | F42 L173 G174 A180 L181 | F42-L177 HydrophobicContact CE2-CD1 3.79Å; F42-L177 HydrophobicContact CZ-CD1 3.72Å; L173-L177 WeakPolarHBondContact O-CB 3.44Å; L173-L177 WeakPolarHBondContact O-CG 3.33Å; L173-L177 PolarHBondContact O-N 3.15Å; G174-L177 PolarHBondContact O-N 3.3Å; L177-A180 PolarHBondContact O-N 3.42Å; L177-L181 WeakPolarHBondContact O-CB 3.2Å; L177-L181 VanDerWaalsContact O-CG 3.31Å; L177-L181 WeakPolarHBondContact O-CG 3.15Å; L177-L181 PolarHBondContact O-N 3.02Å |
| 178 | G | 90.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.9 | -59.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T49 I50 G174 A180 L181 Q182 | T49-G178 WeakPolarHBondContact OG1-CA 3.36Å; I50-G178 WeakPolarHBondContact CG1-O 3.37Å; G174-G178 PolarHBondContact O-N 3.45Å; G178-A180 VanDerWaalsContact C-N 3.27Å; G178-A180 PolarHBondContact O-N 3.02Å; G178-L181 PolarHBondContact O-N 3.26Å; G178-Q182 PolarHBondContact O-N 3.13Å |
| 179 | P | 87.9 | Confident | 88.8 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 31% | 0.305 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -34.9 | 177.7 | -25.4 | 36.3 | 0 | 0 | 0 | 113 | T53 F175 Q182 A183 | T53-P179 HydrophobicContact CG2-CB 4.34Å; F175-P179 WeakPolarHBondContact O-CD 3.3Å; P179-Q182 PolarHBondContact O-N 2.85Å; P179-A183 WeakPolarHBondContact O-CB 3.47Å; P179-A183 PolarHBondContact O-N 2.89Å |
| 180 | A | 87.7 | Confident | 88.2 | Confident | 49 Ų | 49 | 51.7 Ų | 51.7 | 41% | 0.405 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L177 G178 Q182 A183 C184 | L177-A180 PolarHBondContact O-N 3.42Å; G178-A180 VanDerWaalsContact C-N 3.27Å; G178-A180 PolarHBondContact O-N 3.02Å; A180-Q182 VanDerWaalsContact C-N 3.33Å; A180-Q182 PolarHBondContact O-N 3.07Å; A180-A183 PolarHBondContact O-N 3.49Å; A180-C184 PolarHBondContact O-N 2.87Å; A180-C184 PolarHBondContact O-SG 3.38Å; A180-C184 VanDerWaalsContact O-SG 3.4Å |
| 181 | L | 90.3 | Very high | 87.2 | Confident | 63 Ų | 63 | 57.1 Ų | 57.1 | 33% | 0.33 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 174.5 | -73.7 | 173 | 0 | 0 | 0 | 111.3 | V46 I50 L177 G178 C184 L185 F215 | V46-L181 HydrophobicContact CG1-CD1 3.72Å; I50-L181 HydrophobicContact CD1-CB 3.85Å; I50-L181 HydrophobicContact CD1-CD1 4.44Å; I50-L181 HydrophobicContact CG1-CB 4.22Å; L177-L181 WeakPolarHBondContact O-CB 3.2Å; L177-L181 VanDerWaalsContact O-CG 3.31Å; L177-L181 WeakPolarHBondContact O-CG 3.15Å; L177-L181 PolarHBondContact O-N 3.02Å; G178-L181 PolarHBondContact O-N 3.26Å; L181-C184 WeakPolarHBondContact O-CB 3.48Å; L181-C184 PolarHBondContact O-N 3.24Å; L181-L185 WeakPolarHBondContact O-CG 3.4Å; L181-L185 PolarHBondContact O-N 2.89Å; L181-F215 HydrophobicContact CD1-CE2 4.43Å; L181-F215 HydrophobicContact CD1-CZ 4.48Å |
| 182 | Q | 87.7 | Confident | 86.6 | Confident | 17 Ų | 17 | 57.5 Ų | 57.5 | 8% | 0.079 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 176.2 | -170.4 | -143.3 | -59.5 | 0 | 0 | 112.2 | I50 T53 G178 P179 A180 C184 L185 S186 P208 | I50-Q182 HydrophobicContact CG1-CB 3.97Å; I50-Q182 WeakPolarHBondContact O-CB 3.46Å; I50-Q182 VanDerWaalsContact O-CG 3.25Å; I50-Q182 WeakPolarHBondContact O-CG 3.38Å; I50-Q182 PolarHBondContact O-OE1 2.69Å; T53-Q182 PolarHBondContact OG1-NE2 3.33Å; T53-Q182 PolarHBondContact OG1-OE1 3.05Å; G178-Q182 PolarHBondContact O-N 3.13Å; P179-Q182 PolarHBondContact O-N 2.85Å; A180-Q182 VanDerWaalsContact C-N 3.33Å; A180-Q182 PolarHBondContact O-N 3.07Å; Q182-C184 VanDerWaalsContact C-N 3.28Å; Q182-C184 PolarHBondContact O-N 3.29Å; Q182-L185 CarbonylContact O-C 3.51Å; Q182-L185 WeakPolarHBondContact O-CA 3.22Å; Q182-L185 PolarHBondContact O-N 3.29Å; Q182-S186 PolarHBondContact O-N 3.07Å; Q182-P208 HydrophobicContact CG-CG 4.13Å |
| 183 | A | 86.6 | Confident | 86.2 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.9 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | P179 A180 L185 S186 | P179-A183 WeakPolarHBondContact O-CB 3.47Å; P179-A183 PolarHBondContact O-N 2.89Å; A180-A183 PolarHBondContact O-N 3.49Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 PolarHBondContact O-N 2.94Å; A183-S186 WeakPolarHBondContact O-CB 3.47Å; A183-S186 PolarHBondContact O-N 3.43Å; A183-S186 PolarHBondContact O-OG 3.36Å |
| 184 | C | 87.4 | Confident | 85.6 | Confident | 83 Ų | 83 | 61.5 Ų | 61.5 | 56% | 0.561 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.2 | -38.3 | 172.1 | -66.3 | 0 | 0 | 0 | 0 | 112.7 | A180 L181 Q182 S186 F187 | A180-C184 PolarHBondContact O-N 2.87Å; A180-C184 PolarHBondContact O-SG 3.38Å; A180-C184 VanDerWaalsContact O-SG 3.4Å; L181-C184 WeakPolarHBondContact O-CB 3.48Å; L181-C184 PolarHBondContact O-N 3.24Å; Q182-C184 VanDerWaalsContact C-N 3.28Å; Q182-C184 PolarHBondContact O-N 3.29Å; C184-S186 PolarHBondContact O-N 2.98Å; C184-F187 WeakPolarHBondContact O-CD2 3.26Å; C184-F187 PolarHBondContact O-N 3.21Å |
| 185 | L | 87.6 | Confident | 85.1 | Confident | 30 Ų | 30 | 64.2 Ų | 64.2 | 16% | 0.157 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70.8 | -17.6 | 176.8 | -67 | 174.6 | 0 | 0 | 0 | 113.2 | I50 L181 Q182 A183 F187 I188 T207 P208 L211 | I50-L185 HydrophobicContact CD1-CD1 4.13Å; L181-L185 WeakPolarHBondContact O-CG 3.4Å; L181-L185 PolarHBondContact O-N 2.89Å; Q182-L185 CarbonylContact O-C 3.51Å; Q182-L185 WeakPolarHBondContact O-CA 3.22Å; Q182-L185 PolarHBondContact O-N 3.29Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 PolarHBondContact O-N 2.94Å; L185-F187 PolarHBondContact O-N 3.22Å; L185-I188 HydrophobicContact CB-CD1 4.4Å; L185-I188 HydrophobicContact CD2-CD1 3.84Å; L185-I188 WeakPolarHBondContact O-CB 3.48Å; L185-I188 WeakPolarHBondContact O-CG1 3.2Å; L185-I188 PolarHBondContact O-N 3.09Å; L185-T207 HydrophobicContact CD1-CG2 4.26Å; L185-T207 HydrophobicContact CD2-CG2 3.86Å; L185-P208 HydrophobicContact CD1-CB 4.3Å; L185-P208 HydrophobicContact CD1-CG 3.9Å; L185-L211 HydrophobicContact CD1-CD2 4.04Å |
| 186 | S | 84.3 | Confident | 84.4 | Confident | 53 Ų | 53 | 70 Ų | 70 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -64 | -23.7 | 175.4 | 78.2 | 0 | 0 | 0 | 0 | 113.2 | Q182 A183 C184 I188 G189 | Q182-S186 PolarHBondContact O-N 3.07Å; A183-S186 WeakPolarHBondContact O-CB 3.47Å; A183-S186 PolarHBondContact O-N 3.43Å; A183-S186 PolarHBondContact O-OG 3.36Å; C184-S186 PolarHBondContact O-N 2.98Å; S186-I188 PolarHBondContact O-N 2.89Å; S186-I188 VanDerWaalsContact O-N 3.17Å; S186-G189 PolarHBondContact O-N 2.95Å |
| 187 | F | 84.6 | Confident | 83.8 | Confident | 184 Ų | 184 | 77.2 Ų | 77.2 | 81% | 0.807 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -64.1 | -16.7 | 175.4 | -67.7 | -63 | 0 | 0 | 0 | 113.9 | C184 L185 G189 | C184-F187 WeakPolarHBondContact O-CD2 3.26Å; C184-F187 PolarHBondContact O-N 3.21Å; L185-F187 PolarHBondContact O-N 3.22Å; F187-G189 PolarHBondContact O-N 3.32Å |
| 188 | I | 86.4 | Confident | 83 | Confident | 72 Ų | 72 | 78.4 Ų | 78.4 | 37% | 0.369 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -66.5 | -26.6 | 173.8 | -62.4 | 169.2 | 0 | 0 | 0 | 111.2 | L185 S186 T207 | L185-I188 HydrophobicContact CB-CD1 4.4Å; L185-I188 HydrophobicContact CD2-CD1 3.84Å; L185-I188 WeakPolarHBondContact O-CB 3.48Å; L185-I188 WeakPolarHBondContact O-CG1 3.2Å; L185-I188 PolarHBondContact O-N 3.09Å; S186-I188 PolarHBondContact O-N 2.89Å; S186-I188 VanDerWaalsContact O-N 3.17Å; I188-T207 HydrophobicContact CD1-CG2 3.88Å |
| 189 | G | 81.9 | Confident | 82.4 | Confident | 25 Ų | 25 | 83.3 Ų | 83.3 | 26% | 0.258 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 173.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | S186 F187 M204 | S186-G189 PolarHBondContact O-N 2.95Å; F187-G189 PolarHBondContact O-N 3.32Å; G189-M204 PolarHBondContact O-N 3.13Å; G189-M204 VanDerWaalsContact O-N 3.13Å |
| 190 | E | 78.9 | Confident | 82.1 | Confident | 101 Ų | 101 | 82.2 Ų | 82.2 | 47% | 0.472 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -30.2 | -173.7 | -62.6 | -165.1 | 145.7 | 0 | 0 | 113.7 | K61 N203 M204 Y205 | K61-E190 PolarHBondContact NZ-O 3.27Å; E190-N203 WeakPolarHBondContact O-CB 3.38Å; E190-M204 HydrophobicContact CB-CE 4.49Å; E190-M204 HydrophobicContact CG-CE 3.61Å; E190-M204 HydrophobicContact CG-SD 4.03Å; E190-Y205 HydrophobicContact CB-CE2 4.38Å; E190-Y205 HydrophobicContact CG-CE2 4.13Å; E190-Y205 PolarHBondContact OE1-OH 3Å |
| 191 | N | 73.1 | Confident | 81.8 | Confident | 145 Ų | 145 | 82.7 Ų | 82.7 | 78% | 0.775 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -34 | -178.9 | -67.6 | -30 | 0 | 0 | 0 | 111.4 | ||
| 192 | G | 80.4 | Confident | 81.6 | Confident | 30 Ų | 30 | 82.5 Ų | 82.5 | 31% | 0.309 | 45% | 0.445 | S | S | . | . | trans | 53.7 | -150.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L202 | G192-L202 CarbonylContact C-O 3.58Å; G192-L202 WeakPolarHBondContact CA-O 3.39Å | ||
| 193 | V | 82.3 | Confident | 81.6 | Confident | 96 Ų | 96 | 81.8 Ų | 81.8 | 58% | 0.582 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 123.6 | 176.8 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | L202 | V193-L202 PolarHBondContact N-O 3.15Å; V193-L202 WeakPolarHBondContact O-CB 3.47Å; V193-L202 PolarHBondContact O-N 3.43Å |
| 194 | T | 79.5 | Confident | 81.6 | Confident | 70 Ų | 70 | 81.1 Ų | 81.1 | 43% | 0.429 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.6 | 176.5 | -53 | 0 | 0 | 0 | 0 | 110.8 | K196 Q201 | T194-K196 PolarHBondContact O-N 3.46Å; T194-Q201 HydrophobicContact CG2-CG 3.96Å |
| 195 | V | 81.1 | Confident | 81.6 | Confident | 57 Ų | 57 | 77.7 Ų | 77.7 | 35% | 0.345 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 96 | 174.5 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | F197 L198 D199 L200 L202 | V195-F197 PolarHBondContact O-N 2.71Å; V195-F197 VanDerWaalsContact O-N 3.11Å; V195-L198 HydrophobicContact CG1-CD1 4.45Å; V195-L198 PolarHBondContact O-N 3.37Å; V195-D199 PolarHBondContact O-N 3.48Å; V195-L200 PolarHBondContact N-O 3.43Å; V195-L200 PolarHBondContact O-N 2.77Å; V195-L202 HydrophobicContact CG2-CD1 4.39Å |
| 196 | K | 74.6 | Confident | 81.7 | Confident | 185 Ų | 185 | 76.2 Ų | 76.2 | 80% | 0.804 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -22.6 | -173.6 | -68.9 | -175.3 | 178.2 | -179.6 | 0 | 115.4 | T194 | T194-K196 PolarHBondContact O-N 3.46Š|
| 197 | F | 75.6 | Confident | 82.1 | Confident | 189 Ų | 189 | 74.8 Ų | 74.8 | 83% | 0.829 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -28 | 179.9 | -178.1 | -104.1 | 0 | 0 | 0 | 113.2 | V195 | V195-F197 PolarHBondContact O-N 2.71Å; V195-F197 VanDerWaalsContact O-N 3.11Å |
| 198 | L | 75 | Confident | 82.5 | Confident | 99 Ų | 99 | 66 Ų | 66 | 52% | 0.518 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 4.6 | -176.3 | -75.9 | 145.4 | 0 | 0 | 0 | 112.3 | Y118 V195 L200 | Y118-L198 PolarHBondContact OH-O 3.5Å; V195-L198 HydrophobicContact CG1-CD1 4.45Å; V195-L198 PolarHBondContact O-N 3.37Å; L198-L200 HydrophobicContact CB-CB 4.09Å; L198-L200 PolarHBondContact O-N 2.84Å |
| 199 | D | 78.4 | Confident | 82.8 | Confident | 102 Ų | 102 | 62.6 Ų | 62.6 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | 31.6 | -167.3 | -74.1 | -43.6 | 0 | 0 | 0 | 113.2 | Y120 L121 V195 | Y120-D199 PolarHBondContact OH-O 3.07Å; L121-D199 HydrophobicContact CD2-CB 4.4Å; V195-D199 PolarHBondContact O-N 3.48Å |
| 200 | L | 80.9 | Confident | 83.4 | Confident | 24 Ų | 24 | 63.2 Ų | 63.2 | 13% | 0.126 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 116.8 | -175.4 | -175.7 | 67.9 | 0 | 0 | 0 | 110.4 | Y118 V195 L198 L202 L210 | Y118-L200 HydrophobicContact CE1-CB 4.36Å; Y118-L200 HydrophobicContact CE1-CD1 3.84Å; Y118-L200 HydrophobicContact CE2-CD1 4.27Å; V195-L200 PolarHBondContact N-O 3.43Å; V195-L200 PolarHBondContact O-N 2.77Å; L198-L200 HydrophobicContact CB-CB 4.09Å; L198-L200 PolarHBondContact O-N 2.84Å; L200-L202 HydrophobicContact CD2-CD2 4.01Å; L200-L202 HydrophobicContact CG-CD2 4.27Å; L200-L210 HydrophobicContact CD1-CD1 4.01Å; L200-L210 HydrophobicContact CD1-CD2 4.34Å; L200-L210 HydrophobicContact CD2-CD1 4.04Å; L200-L210 HydrophobicContact CG-CD1 4.31Å |
| 201 | Q | 82.3 | Confident | 84.1 | Confident | 59 Ų | 59 | 60.3 Ų | 60.3 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 119.9 | 170.2 | -68.9 | -176.1 | 7 | 0 | 0 | 109.8 | Y120 T194 T206 | Y120-Q201 HydrophobicContact CE1-CB 4.24Å; Y120-Q201 HydrophobicContact CE1-CG 4.48Å; Y120-Q201 HydrophobicContact CE2-CG 4.27Å; Y120-Q201 WeakPolarHBondContact OH-CG 3.37Å; Y120-Q201 PolarHBondContact OH-N 3.05Å; T194-Q201 HydrophobicContact CG2-CG 3.96Å; Q201-T206 WeakPolarHBondContact O-CB 3.1Å; Q201-T206 PolarHBondContact O-OG1 3.49Å |
| 202 | L | 85.6 | Confident | 85.1 | Confident | 59 Ų | 59 | 53.6 Ų | 53.6 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 92.9 | 169.7 | -62.3 | 177.9 | 0 | 0 | 0 | 108.6 | G192 V193 V195 L200 L210 | G192-L202 CarbonylContact C-O 3.58Å; G192-L202 WeakPolarHBondContact CA-O 3.39Å; V193-L202 PolarHBondContact N-O 3.15Å; V193-L202 WeakPolarHBondContact O-CB 3.47Å; V193-L202 PolarHBondContact O-N 3.43Å; V195-L202 HydrophobicContact CG2-CD1 4.39Å; L200-L202 HydrophobicContact CD2-CD2 4.01Å; L200-L202 HydrophobicContact CG-CD2 4.27Å; L202-L210 HydrophobicContact CD2-CD1 3.26Å |
| 203 | N | 87.1 | Confident | 85.8 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.011 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -127.3 | 175.9 | 177.9 | 64.4 | 38.7 | 0 | 0 | 0 | 110.5 | E190 Y205 T206 T207 | E190-N203 WeakPolarHBondContact O-CB 3.38Å; N203-Y205 PolarHBondContact O-N 3.4Å; N203-Y205 WeakPolarHBondContact OD1-CA 3.46Å; N203-Y205 VanDerWaalsContact OD1-CB 3.26Å; N203-Y205 WeakPolarHBondContact OD1-CB 3.39Å; N203-Y205 PolarHBondContact OD1-N 3.33Å; N203-T206 PolarHBondContact N-OG1 3.3Å; N203-T206 VanDerWaalsContact N-OG1 3.15Å; N203-T206 PolarHBondContact O-N 2.83Å; N203-T206 PolarHBondContact OD1-N 3.25Å; N203-T206 PolarHBondContact OD1-OG1 3.48Å; N203-T206 VanDerWaalsContact OD1-OG1 3.1Å; N203-T207 PolarHBondContact N-OG1 2.89Å; N203-T207 WeakPolarHBondContact O-CB 3.33Å; N203-T207 PolarHBondContact O-N 3.49Å; N203-T207 PolarHBondContact O-OG1 3.46Å |
| 204 | M | 85.8 | Confident | 86.5 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -16.3 | 179.7 | 67.1 | 164.1 | 72.1 | 0 | 0 | 115.2 | G189 E190 P208 | G189-M204 PolarHBondContact O-N 3.13Å; G189-M204 VanDerWaalsContact O-N 3.13Å; E190-M204 HydrophobicContact CB-CE 4.49Å; E190-M204 HydrophobicContact CG-CE 3.61Å; E190-M204 HydrophobicContact CG-SD 4.03Å; M204-P208 VanDerWaalsContact O-CD 3.29Å; M204-P208 WeakPolarHBondContact O-CD 3.45Å; M204-P208 VanDerWaalsContact O-CG 3.28Å; M204-P208 WeakPolarHBondContact O-CG 3.44Å |
| 205 | Y | 87.6 | Confident | 87.2 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 4% | 0.043 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -40.8 | -177 | -53.5 | -57 | 0 | 0 | 0 | 113.2 | P57 Y58 K61 E190 N203 | P57-Y205 HydrophobicContact CB-CE1 3.62Å; Y58-Y205 VanDerWaalsContact CD2-CB 3.43Å; Y58-Y205 HydrophobicContact CD2-CD2 4.17Å; Y58-Y205 AromaticContact CD2-CG 3.84Å; Y58-Y205 HydrophobicContact CD2-CG 3.84Å; Y58-Y205 HydrophobicContact CG-CD1 4.45Å; Y58-Y205 HydrophobicContact CG-CG 4.03Å; K61-Y205 HydrophobicContact CD-CD2 3.89Å; K61-Y205 HydrophobicContact CD-CE2 3.68Å; E190-Y205 HydrophobicContact CB-CE2 4.38Å; E190-Y205 HydrophobicContact CG-CE2 4.13Å; E190-Y205 PolarHBondContact OE1-OH 3Å; N203-Y205 PolarHBondContact O-N 3.4Å; N203-Y205 WeakPolarHBondContact OD1-CA 3.46Å; N203-Y205 VanDerWaalsContact OD1-CB 3.26Å; N203-Y205 WeakPolarHBondContact OD1-CB 3.39Å; N203-Y205 PolarHBondContact OD1-N 3.33Å |
| 206 | T | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -33.5 | -176.9 | 54.6 | 0 | 0 | 0 | 0 | 112.5 | Y58 A117 Y120 Q201 N203 A209 L210 | Y58-T206 HydrophobicContact CE2-CG2 4.41Å; A117-T206 WeakPolarHBondContact O-CG2 3.27Å; Y120-T206 HydrophobicContact CD1-CG2 4.49Å; Y120-T206 HydrophobicContact CE1-CG2 4.38Å; Q201-T206 WeakPolarHBondContact O-CB 3.1Å; Q201-T206 PolarHBondContact O-OG1 3.49Å; N203-T206 PolarHBondContact N-OG1 3.3Å; N203-T206 VanDerWaalsContact N-OG1 3.15Å; N203-T206 PolarHBondContact O-N 2.83Å; N203-T206 PolarHBondContact OD1-N 3.25Å; N203-T206 PolarHBondContact OD1-OG1 3.48Å; N203-T206 VanDerWaalsContact OD1-OG1 3.1Å; T206-A209 PolarHBondContact O-N 3.32Å; T206-A209 VanDerWaalsContact O-N 3.13Å; T206-L210 WeakPolarHBondContact O-CG 3.47Å; T206-L210 PolarHBondContact O-N 3.02Å; T206-L210 VanDerWaalsContact O-N 3.07Å |
| 207 | T | 92.1 | Very high | 88.9 | Confident | 23 Ų | 23 | 44.6 Ų | 44.6 | 14% | 0.141 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 179.9 | -60.2 | 0 | 0 | 0 | 0 | 113.2 | L185 I188 N203 A209 L210 L211 | L185-T207 HydrophobicContact CD1-CG2 4.26Å; L185-T207 HydrophobicContact CD2-CG2 3.86Å; I188-T207 HydrophobicContact CD1-CG2 3.88Å; N203-T207 PolarHBondContact N-OG1 2.89Å; N203-T207 WeakPolarHBondContact O-CB 3.33Å; N203-T207 PolarHBondContact O-N 3.49Å; N203-T207 PolarHBondContact O-OG1 3.46Å; T207-A209 VanDerWaalsContact C-N 3.31Å; T207-A209 PolarHBondContact O-N 2.76Å; T207-L210 PolarHBondContact O-N 3.41Å; T207-L211 WeakPolarHBondContact O-CB 3.32Å; T207-L211 PolarHBondContact O-N 3.01Å |
| 208 | P | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.1 | -43.5 | 172 | -30.5 | 37.9 | 0 | 0 | 0 | 114 | I50 V51 Q182 L185 M204 L211 A212 | I50-P208 HydrophobicContact CD1-CB 4.41Å; I50-P208 HydrophobicContact CG1-CB 4.11Å; I50-P208 HydrophobicContact CG2-CB 4.41Å; V51-P208 HydrophobicContact CG2-CB 4.35Å; Q182-P208 HydrophobicContact CG-CG 4.13Å; L185-P208 HydrophobicContact CD1-CB 4.3Å; L185-P208 HydrophobicContact CD1-CG 3.9Å; M204-P208 VanDerWaalsContact O-CD 3.29Å; M204-P208 WeakPolarHBondContact O-CD 3.45Å; M204-P208 VanDerWaalsContact O-CG 3.28Å; M204-P208 WeakPolarHBondContact O-CG 3.44Å; P208-L211 PolarHBondContact O-N 3.44Å; P208-A212 PolarHBondContact O-N 3.17Å |
| 209 | A | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.8 | -39.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V51 N113 Y116 T206 T207 L211 A212 A213 | V51-A209 HydrophobicContact CG2-CB 4.44Å; N113-A209 WeakPolarHBondContact CB-O 3.34Å; Y116-A209 HydrophobicContact CD1-CB 3.6Å; Y116-A209 HydrophobicContact CE1-CB 4.28Å; Y116-A209 HydrophobicContact CG-CB 4.44Å; T206-A209 PolarHBondContact O-N 3.32Å; T206-A209 VanDerWaalsContact O-N 3.13Å; T207-A209 VanDerWaalsContact C-N 3.31Å; T207-A209 PolarHBondContact O-N 2.76Å; A209-L211 VanDerWaalsContact C-N 3.34Å; A209-A212 WeakPolarHBondContact O-CB 3.44Å; A209-A212 PolarHBondContact O-N 3.26Å; A209-A213 PolarHBondContact O-N 3.31Å |
| 210 | L | 94.1 | Very high | 91.6 | Very high | 37 Ų | 37 | 30.3 Ų | 30.3 | 19% | 0.194 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.4 | -34.7 | 174.9 | -64.5 | 170.4 | 0 | 0 | 0 | 112.5 | A117 L200 L202 T206 T207 A213 L214 | A117-L210 HydrophobicContact CB-CD2 3.8Å; A117-L210 HydrophobicContact CB-CG 3.97Å; L200-L210 HydrophobicContact CD1-CD1 4.01Å; L200-L210 HydrophobicContact CD1-CD2 4.34Å; L200-L210 HydrophobicContact CD2-CD1 4.04Å; L200-L210 HydrophobicContact CG-CD1 4.31Å; L202-L210 HydrophobicContact CD2-CD1 3.26Å; T206-L210 WeakPolarHBondContact O-CG 3.47Å; T206-L210 PolarHBondContact O-N 3.02Å; T206-L210 VanDerWaalsContact O-N 3.07Å; T207-L210 PolarHBondContact O-N 3.41Å; L210-A213 WeakPolarHBondContact O-CB 3.16Å; L210-A213 PolarHBondContact O-N 3.08Å; L210-L214 PolarHBondContact O-N 3.13Å |
| 211 | L | 94.6 | Very high | 92.3 | Very high | 41 Ų | 41 | 34 Ų | 34 | 22% | 0.215 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.3 | -41.5 | 172.9 | -177.5 | 59 | 0 | 0 | 0 | 111 | I50 L185 T207 P208 A209 A213 L214 F215 | I50-L211 HydrophobicContact CD1-CD2 3.75Å; I50-L211 HydrophobicContact CD1-CG 4.39Å; L185-L211 HydrophobicContact CD1-CD2 4.04Å; T207-L211 WeakPolarHBondContact O-CB 3.32Å; T207-L211 PolarHBondContact O-N 3.01Å; P208-L211 PolarHBondContact O-N 3.44Å; A209-L211 VanDerWaalsContact C-N 3.34Å; L211-A213 VanDerWaalsContact C-N 3.29Å; L211-A213 PolarHBondContact O-N 2.99Å; L211-L214 HydrophobicContact CD1-CD2 4.27Å; L211-L214 WeakPolarHBondContact O-CB 3.33Å; L211-L214 PolarHBondContact O-N 3.47Å; L211-F215 HydrophobicContact CD1-CD1 4.43Å; L211-F215 HydrophobicContact CD1-CE1 3.8Å; L211-F215 HydrophobicContact CD1-CE2 4.31Å; L211-F215 HydrophobicContact CD1-CZ 3.73Å; L211-F215 HydrophobicContact CD2-CE2 4.27Å; L211-F215 HydrophobicContact CD2-CZ 4.06Å; L211-F215 HydrophobicContact CG-CD2 4.46Å; L211-F215 HydrophobicContact CG-CE1 4.25Å; L211-F215 HydrophobicContact CG-CE2 3.83Å; L211-F215 HydrophobicContact CG-CZ 3.72Å; L211-F215 WeakPolarHBondContact O-CG 2.96Å; L211-F215 PolarHBondContact O-N 3.42Å |
| 212 | A | 94.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61 | -39 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | I50 P208 A209 F215 G216 | I50-A212 HydrophobicContact CG2-CB 4.34Å; P208-A212 PolarHBondContact O-N 3.17Å; A209-A212 WeakPolarHBondContact O-CB 3.44Å; A209-A212 PolarHBondContact O-N 3.26Å; A212-F215 PolarHBondContact O-N 2.86Å; A212-G216 PolarHBondContact O-N 3.11Å |
| 213 | A | 95.2 | Very high | 93.3 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L110 N113 I114 A209 L210 L211 F215 G216 L217 | L110-A213 HydrophobicContact CD1-CB 3.68Å; L110-A213 WeakPolarHBondContact CD1-O 3.29Å; N113-A213 HydrophobicContact CB-CB 4.09Å; I114-A213 HydrophobicContact CG1-CB 4.05Å; A209-A213 PolarHBondContact O-N 3.31Å; L210-A213 WeakPolarHBondContact O-CB 3.16Å; L210-A213 PolarHBondContact O-N 3.08Å; L211-A213 VanDerWaalsContact C-N 3.29Å; L211-A213 PolarHBondContact O-N 2.99Å; A213-F215 VanDerWaalsContact C-N 3.33Å; A213-F215 PolarHBondContact O-N 3.33Å; A213-G216 WeakPolarHBondContact O-CA 2.96Å; A213-G216 PolarHBondContact O-N 3.43Å; A213-L217 PolarHBondContact O-N 2.98Å |
| 214 | L | 95.6 | Very high | 93.6 | Very high | 94 Ų | 94 | 33.6 Ų | 33.6 | 49% | 0.492 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.4 | -43.5 | 175.1 | 178.9 | 63.6 | 0 | 0 | 0 | 112 | L210 L211 G216 L217 V218 | L210-L214 PolarHBondContact O-N 3.13Å; L211-L214 HydrophobicContact CD1-CD2 4.27Å; L211-L214 WeakPolarHBondContact O-CB 3.33Å; L211-L214 PolarHBondContact O-N 3.47Å; L214-G216 VanDerWaalsContact C-N 3.29Å; L214-G216 PolarHBondContact O-N 2.94Å; L214-L217 WeakPolarHBondContact O-CB 3.39Å; L214-L217 PolarHBondContact O-N 2.95Å; L214-L217 VanDerWaalsContact O-N 3.16Å; L214-V218 WeakPolarHBondContact O-CG2 3.08Å; L214-V218 PolarHBondContact O-N 3.31Å |
| 215 | F | 94.9 | Very high | 93.9 | Very high | 45 Ų | 45 | 37.8 Ų | 37.8 | 20% | 0.197 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -40.1 | 173.7 | -66.6 | -23.2 | 0 | 0 | 0 | 112.1 | L43 V46 L181 L211 A212 A213 L217 V218 N219 | L43-F215 HydrophobicContact CB-CB 4.41Å; L43-F215 HydrophobicContact CD1-CB 4.38Å; L43-F215 HydrophobicContact CD2-CB 4.04Å; L43-F215 HydrophobicContact CD2-CD1 4.11Å; L43-F215 HydrophobicContact CD2-CD2 4.32Å; L43-F215 HydrophobicContact CD2-CG 3.91Å; V46-F215 HydrophobicContact CG1-CD2 4.18Å; V46-F215 HydrophobicContact CG1-CE2 3.68Å; L181-F215 HydrophobicContact CD1-CE2 4.43Å; L181-F215 HydrophobicContact CD1-CZ 4.48Å; L211-F215 HydrophobicContact CD1-CD1 4.43Å; L211-F215 HydrophobicContact CD1-CE1 3.8Å; L211-F215 HydrophobicContact CD1-CE2 4.31Å; L211-F215 HydrophobicContact CD1-CZ 3.73Å; L211-F215 HydrophobicContact CD2-CE2 4.27Å; L211-F215 HydrophobicContact CD2-CZ 4.06Å; L211-F215 HydrophobicContact CG-CD2 4.46Å; L211-F215 HydrophobicContact CG-CE1 4.25Å; L211-F215 HydrophobicContact CG-CE2 3.83Å; L211-F215 HydrophobicContact CG-CZ 3.72Å; L211-F215 WeakPolarHBondContact O-CG 2.96Å; L211-F215 PolarHBondContact O-N 3.42Å; A212-F215 PolarHBondContact O-N 2.86Å; A213-F215 VanDerWaalsContact C-N 3.33Å; A213-F215 PolarHBondContact O-N 3.33Å; F215-L217 PolarHBondContact O-N 3.23Å; F215-V218 PolarHBondContact O-N 3.18Å; F215-N219 VanDerWaalsContact O-CB 3.25Å; F215-N219 WeakPolarHBondContact O-CB 3.42Å; F215-N219 PolarHBondContact O-N 3.49Å |
| 216 | G | 94.9 | Very high | 94.1 | Very high | 7 Ų | 7 | 38.9 Ų | 38.9 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.6 | -45.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I106 A212 A213 L214 N219 I220 | I106-G216 VanDerWaalsContact CG2-O 3.31Å; I106-G216 WeakPolarHBondContact CG2-O 3.1Å; A212-G216 PolarHBondContact O-N 3.11Å; A213-G216 WeakPolarHBondContact O-CA 2.96Å; A213-G216 PolarHBondContact O-N 3.43Å; L214-G216 VanDerWaalsContact C-N 3.29Å; L214-G216 PolarHBondContact O-N 2.94Å; G216-N219 WeakPolarHBondContact O-CB 3.18Å; G216-N219 PolarHBondContact O-N 2.98Å; G216-I220 WeakPolarHBondContact O-CG1 3.28Å; G216-I220 PolarHBondContact O-N 3.49Å |
| 217 | L | 96.2 | Very high | 94.1 | Very high | 97 Ų | 97 | 39.5 Ų | 39.5 | 51% | 0.508 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 177.9 | -176.9 | 65.5 | 0 | 0 | 0 | 112.2 | A213 L214 F215 N219 I220 L221 | A213-L217 PolarHBondContact O-N 2.98Å; L214-L217 WeakPolarHBondContact O-CB 3.39Å; L214-L217 PolarHBondContact O-N 2.95Å; L214-L217 VanDerWaalsContact O-N 3.16Å; F215-L217 PolarHBondContact O-N 3.23Å; L217-N219 VanDerWaalsContact C-N 3.27Å; L217-N219 PolarHBondContact O-N 3.26Å; L217-I220 PolarHBondContact O-N 2.94Å; L217-L221 PolarHBondContact O-N 2.91Å |
| 218 | V | 95.8 | Very high | 93.8 | Very high | 68 Ų | 68 | 44.1 Ų | 44.1 | 41% | 0.412 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.9 | -41.4 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | L214 F215 L221 L222 | L214-V218 WeakPolarHBondContact O-CG2 3.08Å; L214-V218 PolarHBondContact O-N 3.31Å; F215-V218 PolarHBondContact O-N 3.18Å; V218-L221 PolarHBondContact O-N 3.12Å; V218-L222 WeakPolarHBondContact O-CB 3.31Å; V218-L222 PolarHBondContact O-N 3.05Å |
| 219 | N | 95.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.2 | -41.4 | 178.8 | -166.7 | 17.7 | 0 | 0 | 0 | 112.2 | T40 L43 I106 F215 G216 L217 L221 L222 V223 | T40-N219 WeakPolarHBondContact CB-OD1 3.28Å; T40-N219 VanDerWaalsContact CG2-ND2 3.25Å; T40-N219 WeakPolarHBondContact CG2-ND2 3.41Å; T40-N219 PolarHBondContact OG1-OD1 3.49Å; L43-N219 HydrophobicContact CD1-CB 3.85Å; I106-N219 HydrophobicContact CD1-CB 4.42Å; I106-N219 VanDerWaalsContact CD1-ND2 3.33Å; I106-N219 WeakPolarHBondContact CD1-ND2 3.22Å; I106-N219 HydrophobicContact CG2-CB 4.49Å; F215-N219 VanDerWaalsContact O-CB 3.25Å; F215-N219 WeakPolarHBondContact O-CB 3.42Å; F215-N219 PolarHBondContact O-N 3.49Å; G216-N219 WeakPolarHBondContact O-CB 3.18Å; G216-N219 PolarHBondContact O-N 2.98Å; L217-N219 VanDerWaalsContact C-N 3.27Å; L217-N219 PolarHBondContact O-N 3.26Å; N219-L221 VanDerWaalsContact C-N 3.35Å; N219-L221 PolarHBondContact O-N 2.76Å; N219-L222 PolarHBondContact O-N 2.9Å; N219-V223 WeakPolarHBondContact O-CB 3.32Å; N219-V223 VanDerWaalsContact O-CG2 3.29Å; N219-V223 WeakPolarHBondContact O-CG2 3.35Å; N219-V223 PolarHBondContact O-N 3.21Å |
| 220 | I | 95.9 | Very high | 92.8 | Very high | 19 Ų | 19 | 47.2 Ų | 47.2 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.8 | -49.8 | 172.9 | -71.2 | 162.3 | 0 | 0 | 0 | 109.9 | V103 I106 V107 L110 G216 L217 L222 V223 L224 | V103-I220 HydrophobicContact CG1-CG2 4.37Å; I106-I220 HydrophobicContact CB-CD1 4.37Å; I106-I220 HydrophobicContact CB-CG1 3.93Å; I106-I220 HydrophobicContact CG2-CD1 3.89Å; I106-I220 HydrophobicContact CG2-CG1 3.57Å; V107-I220 HydrophobicContact CG2-CD1 3.61Å; V107-I220 HydrophobicContact CG2-CG1 4.46Å; L110-I220 HydrophobicContact CD2-CD1 4.41Å; G216-I220 WeakPolarHBondContact O-CG1 3.28Å; G216-I220 PolarHBondContact O-N 3.49Å; L217-I220 PolarHBondContact O-N 2.94Å; I220-L222 VanDerWaalsContact C-N 3.3Å; I220-L222 PolarHBondContact O-N 3.35Å; I220-V223 PolarHBondContact O-N 3.4Å; I220-L224 HydrophobicContact CG2-CD1 3.6Å; I220-L224 HydrophobicContact CG2-CG 4.06Å; I220-L224 WeakPolarHBondContact O-CB 3.46Å; I220-L224 VanDerWaalsContact O-CG 3.23Å; I220-L224 WeakPolarHBondContact O-CG 3.45Å; I220-L224 PolarHBondContact O-N 3.29Å |
| 221 | L | 95.4 | Very high | 91.9 | Very high | 102 Ų | 102 | 46.6 Ų | 46.6 | 53% | 0.534 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.6 | -44.4 | 179.8 | -172.9 | 67.5 | 0 | 0 | 0 | 111.4 | L217 V218 N219 L224 L225 | L217-L221 PolarHBondContact O-N 2.91Å; V218-L221 PolarHBondContact O-N 3.12Å; N219-L221 VanDerWaalsContact C-N 3.35Å; N219-L221 PolarHBondContact O-N 2.76Å; L221-L224 PolarHBondContact O-N 3.47Å; L221-L225 HydrophobicContact CD1-CD1 3.6Å; L221-L225 HydrophobicContact CD1-CG 4.03Å; L221-L225 HydrophobicContact CD2-CD1 4.45Å; L221-L225 HydrophobicContact CG-CD1 3.75Å; L221-L225 HydrophobicContact CG-CG 4.35Å; L221-L225 WeakPolarHBondContact O-CB 3.42Å; L221-L225 VanDerWaalsContact O-CG 3.28Å; L221-L225 WeakPolarHBondContact O-CG 3.5Å; L221-L225 PolarHBondContact O-N 3.3Å |
| 222 | L | 94.3 | Very high | 91 | Very high | 47 Ų | 47 | 45 Ų | 45 | 25% | 0.246 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | 178.3 | -168.4 | 73.5 | 0 | 0 | 0 | 111.9 | V36 F39 V218 N219 I220 V226 | V36-L222 HydrophobicContact CB-CD2 4.2Å; V36-L222 HydrophobicContact CB-CG 4.42Å; V36-L222 HydrophobicContact CG1-CD2 3.71Å; V36-L222 HydrophobicContact CG1-CG 3.81Å; V36-L222 HydrophobicContact CG2-CD1 4.32Å; V36-L222 HydrophobicContact CG2-CD2 4.02Å; V36-L222 HydrophobicContact CG2-CG 3.92Å; F39-L222 HydrophobicContact CB-CD2 4.42Å; F39-L222 HydrophobicContact CD1-CD2 3.54Å; F39-L222 HydrophobicContact CE1-CD2 4.26Å; F39-L222 HydrophobicContact CG-CD2 4.39Å; V218-L222 WeakPolarHBondContact O-CB 3.31Å; V218-L222 PolarHBondContact O-N 3.05Å; N219-L222 PolarHBondContact O-N 2.9Å; I220-L222 VanDerWaalsContact C-N 3.3Å; I220-L222 PolarHBondContact O-N 3.35Å; L222-V226 HydrophobicContact CD1-CB 4.48Å; L222-V226 HydrophobicContact CD1-CG2 3.9Å; L222-V226 VanDerWaalsContact O-CB 3.3Å; L222-V226 WeakPolarHBondContact O-CB 3.41Å; L222-V226 PolarHBondContact O-N 3.01Å |
| 223 | V | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 177.1 | 168 | 0 | 0 | 0 | 0 | 111.1 | V36 M37 R99 L102 V103 I106 N219 I220 L227 | V36-V223 HydrophobicContact CG1-CG2 4.34Å; M37-V223 HydrophobicContact CE-CG2 4.42Å; R99-V223 HydrophobicContact CG-CG1 4.09Å; L102-V223 HydrophobicContact CD2-CB 4.44Å; L102-V223 HydrophobicContact CD2-CG1 3.9Å; L102-V223 HydrophobicContact CD2-CG2 3.6Å; L102-V223 HydrophobicContact CG-CG1 4.48Å; L102-V223 HydrophobicContact CG-CG2 4.36Å; V103-V223 HydrophobicContact CG2-CB 4.48Å; V103-V223 HydrophobicContact CG2-CG1 3.66Å; I106-V223 HydrophobicContact CD1-CG2 4.41Å; N219-V223 WeakPolarHBondContact O-CB 3.32Å; N219-V223 VanDerWaalsContact O-CG2 3.29Å; N219-V223 WeakPolarHBondContact O-CG2 3.35Å; N219-V223 PolarHBondContact O-N 3.21Å; I220-V223 PolarHBondContact O-N 3.4Å; V223-L227 HydrophobicContact CG1-CB 4.48Å; V223-L227 HydrophobicContact CG1-CD2 3.89Å; V223-L227 WeakPolarHBondContact O-CB 3.42Å; V223-L227 PolarHBondContact O-N 2.87Å |
| 224 | L | 93.1 | Very high | 88.6 | Confident | 64 Ų | 64 | 48.6 Ų | 48.6 | 34% | 0.335 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -71.9 | -35.7 | -178.5 | -66.9 | 176.6 | 0 | 0 | 0 | 112.9 | R99 V103 I220 L221 | R99-L224 PolarHBondContact NH1-O 3.35Å; R99-L224 VanDerWaalsContact NH2-CA 3.33Å; R99-L224 PolarHBondContact NH2-O 2.8Å; V103-L224 HydrophobicContact CG1-CD2 4.44Å; V103-L224 HydrophobicContact CG2-CD2 3.72Å; V103-L224 HydrophobicContact CG2-CG 4.31Å; I220-L224 HydrophobicContact CG2-CD1 3.6Å; I220-L224 HydrophobicContact CG2-CG 4.06Å; I220-L224 WeakPolarHBondContact O-CB 3.46Å; I220-L224 VanDerWaalsContact O-CG 3.23Å; I220-L224 WeakPolarHBondContact O-CG 3.45Å; I220-L224 PolarHBondContact O-N 3.29Å; L221-L224 PolarHBondContact O-N 3.47Å |
| 225 | L | 92.7 | Very high | 87.2 | Confident | 126 Ų | 126 | 50.1 Ų | 50.1 | 66% | 0.66 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -92.5 | -35.2 | -173.7 | -63.3 | -178.1 | 0 | 0 | 0 | 113.8 | L221 | L221-L225 HydrophobicContact CD1-CD1 3.6Å; L221-L225 HydrophobicContact CD1-CG 4.03Å; L221-L225 HydrophobicContact CD2-CD1 4.45Å; L221-L225 HydrophobicContact CG-CD1 3.75Å; L221-L225 HydrophobicContact CG-CG 4.35Å; L221-L225 WeakPolarHBondContact O-CB 3.42Å; L221-L225 VanDerWaalsContact O-CG 3.28Å; L221-L225 WeakPolarHBondContact O-CG 3.5Å; L221-L225 PolarHBondContact O-N 3.3Å |
| 226 | V | 91.5 | Very high | 85.7 | Confident | 33 Ų | 33 | 49.2 Ų | 49.2 | 20% | 0.2 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -108.2 | -32.1 | -167 | -173.3 | 0 | 0 | 0 | 0 | 112.7 | R32 V36 L222 K228 | R32-V226 HydrophobicContact CG-CG1 3.77Å; V36-V226 HydrophobicContact CG2-CB 3.94Å; V36-V226 HydrophobicContact CG2-CG1 3.62Å; L222-V226 HydrophobicContact CD1-CB 4.48Å; L222-V226 HydrophobicContact CD1-CG2 3.9Å; L222-V226 VanDerWaalsContact O-CB 3.3Å; L222-V226 WeakPolarHBondContact O-CB 3.41Å; L222-V226 PolarHBondContact O-N 3.01Å; V226-K228 PolarHBondContact O-N 2.93Å |
| 227 | L | 90.9 | Very high | 84.5 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | trans | -66.8 | 118.9 | -175.1 | -173.2 | 64.3 | 0 | 0 | 0 | 110.5 | M37 R99 L102 Y150 V223 | M37-L227 HydrophobicContact CE-CD1 3.79Å; M37-L227 HydrophobicContact CE-CD2 4.23Å; R99-L227 HydrophobicContact CB-CD2 4.06Å; L102-L227 HydrophobicContact CD2-CD2 4.35Å; Y150-L227 HydrophobicContact CE1-CD1 4.43Å; Y150-L227 HydrophobicContact CE2-CD1 4.02Å; V223-L227 HydrophobicContact CG1-CB 4.48Å; V223-L227 HydrophobicContact CG1-CD2 3.89Å; V223-L227 WeakPolarHBondContact O-CB 3.42Å; V223-L227 PolarHBondContact O-N 2.87Å | ||
| 228 | K | 85.6 | Confident | 83.1 | Confident | 120 Ų | 120 | 55.2 Ų | 55.2 | 52% | 0.522 | 29% | 0.289 | S | S | . | . | trans | -113.3 | 142.3 | 165.9 | -76.5 | -176.8 | 176.5 | -174.1 | 0 | 108.9 | S33 Y150 V226 H230 | S33-K228 PolarHBondContact OG-N 3.26Å; S33-K228 PolarHBondContact OG-O 2.9Å; Y150-K228 PolarHBondContact OH-O 2.97Å; V226-K228 PolarHBondContact O-N 2.93Å; K228-H230 VanDerWaalsContact CB-CE1 3.48Å; K228-H230 WeakPolarHBondContact CB-CE1 3.41Å; K228-H230 PolarHBondContact O-N 3.46Å; K228-H230 PolarHBondContact O-ND1 3.44Å | ||
| 229 | E | 81.5 | Confident | 81.9 | Confident | 48 Ų | 48 | 55.2 Ų | 55.2 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | trans | -76.6 | 124.4 | -179 | -160.8 | 78.5 | 154.7 | 0 | 0 | 110 | R98 Y150 S241 | R98-E229 IonicContact CZ-OE1 3.13Å; R98-E229 PolarHBondContact N-OE1 3.37Å; R98-E229 VanDerWaalsContact NE-CD 3.34Å; R98-E229 IonicContact NE-OE1 3.89Å; R98-E229 PolarHBondContact NE-OE1 3.31Å; R98-E229 IonicContact NE-OE2 2.9Å; R98-E229 IonicContact NH2-OE1 3.8Å; R98-E229 PolarHBondContact NH2-OE1 3.29Å; Y150-E229 WeakPolarHBondContact CE2-OE2 3.44Å; E229-S241 WeakPolarHBondContact CG-OG 3.1Å | ||
| 230 | H | 82.3 | Confident | 80.2 | Confident | 18 Ų | 18 | 66.4 Ų | 66.4 | 8% | 0.083 | 33% | 0.328 | C | S | . | . | trans | -132 | 139.4 | 174.7 | -56.8 | 86.3 | 0 | 0 | 0 | 108.6 | S29 R30 Y150 K228 | S29-H230 PolarHBondContact OG-CE1 3.35Å; S29-H230 PolarHBondContact OG-NE2 3.47Å; R30-H230 HydrophobicContact CB-CB 4.44Å; R30-H230 HydrophobicContact CG-CB 4.12Å; R30-H230 PolarHBondContact N-NE2 2.89Å; Y150-H230 PolarHBondContact OH-ND1 2.97Å; K228-H230 VanDerWaalsContact CB-CE1 3.48Å; K228-H230 WeakPolarHBondContact CB-CE1 3.41Å; K228-H230 PolarHBondContact O-N 3.46Å; K228-H230 PolarHBondContact O-ND1 3.44Å | ||
| 231 | C | 75.9 | Confident | 78.2 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 16% | 0.162 | 34% | 0.336 | C | S | . | . | trans | -135.1 | 134.5 | 171.1 | -168.6 | 0 | 0 | 0 | 0 | 108.4 | G153 N238 I239 | G153-C231 WeakPolarHBondContact O-CA 3.37Å; C231-N238 WeakPolarHBondContact O-CA 3.16Å; C231-I239 PolarHBondContact O-N 3.29Å | ||
| 232 | V | 75.8 | Confident | 76.2 | Confident | 8 Ų | 8 | 66.6 Ų | 66.6 | 5% | 0.048 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -130.1 | 130 | -167.9 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | G153 G236 K237 | G153-V232 PolarHBondContact O-N 2.95Å; V232-G236 WeakPolarHBondContact CG1-O 3.4Å; V232-K237 WeakPolarHBondContact CA-O 3.2Å |
| 233 | N | 71.3 | Confident | 73.8 | Confident | 62 Ų | 62 | 72.2 Ų | 72.2 | 33% | 0.332 | 36% | 0.362 | S | S | . | . | trans | -65.4 | 168.2 | 171.9 | -99.6 | -29.5 | 0 | 0 | 0 | 111.3 | D235 G236 K237 I239 | N233-D235 PolarHBondContact O-N 3.45Å; N233-D235 VanDerWaalsContact O-N 3.13Å; N233-G236 PolarHBondContact O-N 2.85Å; N233-K237 PolarHBondContact N-O 3.29Å; N233-I239 HydrophobicContact CB-CD1 3.87Å; N233-I239 HydrophobicContact CB-CG1 4.03Å; N233-I239 VanDerWaalsContact CG-CG1 3.45Å; N233-I239 WeakPolarHBondContact ND2-CD1 3.1Å; N233-I239 WeakPolarHBondContact ND2-CG1 3.32Å; N233-I239 WeakPolarHBondContact OD1-CD1 3.25Å | ||
| 234 | E | 67.7 | Low | 71.1 | Confident | 22 Ų | 22 | 81.5 Ų | 81.5 | 10% | 0.103 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -32.2 | -180 | -65.9 | -176.2 | 125.2 | 0 | 0 | 113.1 | S156 L157 G236 S499 | S156-E234 WeakPolarHBondContact CB-O 3.37Å; L157-E234 HydrophobicContact CB-CB 4.49Å; L157-E234 PolarHBondContact N-O 3.47Å; E234-G236 VanDerWaalsContact C-N 3.32Å; E234-G236 PolarHBondContact O-N 2.97Å; E234-S499 VanDerWaalsContact OE2-CB 3.25Å; E234-S499 WeakPolarHBondContact OE2-CB 3.38Å |
| 235 | D | 65.7 | Low | 68.4 | Low | 127 Ų | 127 | 84.4 Ų | 84.4 | 68% | 0.679 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -1.2 | 177.5 | -55.3 | -37.2 | 0 | 0 | 0 | 114.7 | N233 | N233-D235 PolarHBondContact O-N 3.45Å; N233-D235 VanDerWaalsContact O-N 3.13Å |
| 236 | G | 63.7 | Low | 65.5 | Low | 26 Ų | 26 | 81.1 Ų | 81.1 | 27% | 0.268 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 92 | -0.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | V232 N233 E234 | V232-G236 WeakPolarHBondContact CG1-O 3.4Å; N233-G236 PolarHBondContact O-N 2.85Å; E234-G236 VanDerWaalsContact C-N 3.32Å; E234-G236 PolarHBondContact O-N 2.97Å |
| 237 | K | 69.3 | Low | 62.9 | Low | 153 Ų | 153 | 88.8 Ų | 88.8 | 67% | 0.665 | 44% | 0.44 | S | S | * | . | trans | -76.8 | 136.7 | 176.5 | -65.1 | -176.6 | 179.8 | 178.4 | 0 | 111.8 | V232 N233 | V232-K237 WeakPolarHBondContact CA-O 3.2Å; N233-K237 PolarHBondContact N-O 3.29Å | ||
| 238 | N | 67.6 | Low | 60.2 | Low | 76 Ų | 76 | 95.3 Ų | 95.3 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | B | Isolated β-bridge | trans | -66.9 | 138.6 | 175.7 | -81.4 | -25.8 | 0 | 0 | 0 | 111.3 | D26 C231 | D26-N238 PolarHBondContact OD2-ND2 3.08Å; D26-N238 VanDerWaalsContact OD2-ND2 3.15Å; C231-N238 WeakPolarHBondContact O-CA 3.16Å |
| 239 | I | 71.1 | Confident | 57.6 | Low | 68 Ų | 68 | 94.7 Ų | 94.7 | 35% | 0.349 | 48% | 0.482 | S | S | . | . | trans | -125.8 | 149.5 | 174.1 | -35.5 | 164.9 | 0 | 0 | 0 | 108.9 | C231 N233 S241 | C231-I239 PolarHBondContact O-N 3.29Å; N233-I239 HydrophobicContact CB-CD1 3.87Å; N233-I239 HydrophobicContact CB-CG1 4.03Å; N233-I239 VanDerWaalsContact CG-CG1 3.45Å; N233-I239 WeakPolarHBondContact ND2-CD1 3.1Å; N233-I239 WeakPolarHBondContact ND2-CG1 3.32Å; N233-I239 WeakPolarHBondContact OD1-CD1 3.25Å; I239-S241 PolarHBondContact O-N 3.34Å | ||
| 240 | R | 58.8 | Low | 55.5 | Low | 239 Ų | 239 | 98.2 Ų | 98.2 | 90% | 0.902 | 51% | 0.506 | S | S | * | . | trans | -65.2 | 124.2 | 166.9 | -70.7 | -175.9 | 176.5 | 179.3 | 0.1 | 109.8 | I242 | R240-I242 PolarHBondContact O-N 3.02Š| ||
| 241 | S | 53.4 | Low | 53.5 | Low | 39 Ų | 39 | 104.6 Ų | 104.6 | 27% | 0.273 | 54% | 0.541 | S | S | . | . | trans | -91.6 | 21.8 | -160.7 | 74.1 | 0 | 0 | 0 | 0 | 115.9 | R98 E229 I239 | R98-S241 PolarHBondContact NH2-OG 2.88Å; E229-S241 WeakPolarHBondContact CG-OG 3.1Å; I239-S241 PolarHBondContact O-N 3.34Å | ||
| 242 | I | 53 | Low | 51.6 | Low | 85 Ų | 85 | 109.5 Ų | 109.5 | 44% | 0.436 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -146 | 138.4 | -175.2 | -56.5 | -179.9 | 0 | 0 | 0 | 107.6 | L97 R240 Y244 | L97-I242 HydrophobicContact CD1-CD1 3.87Å; L97-I242 HydrophobicContact CG-CD1 4.11Å; R240-I242 PolarHBondContact O-N 3.02Å; I242-Y244 PolarHBondContact O-N 3.31Å |
| 243 | N | 44.8 | Very low | 49.7 | Very low | 165 Ų | 165 | 116.4 Ų | 116.4 | 88% | 0.882 | 61% | 0.605 | S | S | * | * | trans | -57.4 | 73.7 | 160.5 | -92.2 | 0.4 | 0 | 0 | 0 | 109.2 | T245 | N243-T245 VanDerWaalsContact C-N 3.33Å; N243-T245 PolarHBondContact O-N 3.01Å | ||
| 244 | Y | 38.3 | Very low | 48.1 | Very low | 196 Ų | 196 | 121.2 Ų | 121.2 | 77% | 0.769 | 63% | 0.631 | S | S | * | * | trans | -83.1 | 94.5 | 151.5 | -163.6 | -92.7 | 0 | 0 | 0 | 103.9 | I242 S246 | I242-Y244 PolarHBondContact O-N 3.31Å; Y244-S246 PolarHBondContact O-N 3.05Å | ||
| 245 | T | 34.8 | Very low | 46.7 | Very low | 124 Ų | 124 | 128 Ų | 128 | 76% | 0.761 | 66% | 0.663 | S | S | * | * | trans | -57.1 | 94.2 | 152.2 | 7.8 | 0 | 0 | 0 | 0 | 104.9 | N243 E247 | N243-T245 VanDerWaalsContact C-N 3.33Å; N243-T245 PolarHBondContact O-N 3.01Å; T245-E247 PolarHBondContact O-N 2.98Å; T245-E247 VanDerWaalsContact O-N 3.16Å | ||
| 246 | S | 32.3 | Very low | 45.6 | Very low | 58 Ų | 58 | 125.9 Ų | 125.9 | 41% | 0.406 | 66% | 0.658 | S | S | . | * | trans | -58.9 | 115.5 | 152.7 | 39.2 | 0 | 0 | 0 | 0 | 104.7 | Y244 D248 | Y244-S246 PolarHBondContact O-N 3.05Å; S246-D248 PolarHBondContact O-N 3.42Å | ||
| 247 | E | 36.3 | Very low | 45.1 | Very low | 193 Ų | 193 | 130.3 Ų | 130.3 | 90% | 0.902 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -3.7 | 170.8 | -78.3 | 177.5 | 134.8 | 0 | 0 | 112.6 | T245 | T245-E247 PolarHBondContact O-N 2.98Å; T245-E247 VanDerWaalsContact O-N 3.16Å |
| 248 | D | 34 | Very low | 44.8 | Very low | 150 Ų | 150 | 125.4 Ų | 125.4 | 80% | 0.802 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 39.9 | -176.3 | -66.6 | -38.8 | 0 | 0 | 0 | 114.9 | S246 | S246-D248 PolarHBondContact O-N 3.42Š|
| 249 | T | 32.9 | Very low | 45.1 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 66% | 0.663 | 67% | 0.669 | S | S | * | * | trans | -132.1 | 83.3 | 162.1 | -35.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 250 | V | 36.7 | Very low | 45.6 | Very low | 122 Ų | 122 | 124 Ų | 124 | 74% | 0.739 | 66% | 0.656 | S | S | * | * | trans | -52.9 | 127.4 | 163.6 | 175.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 251 | D | 39.7 | Very low | 47 | Very low | 151 Ų | 151 | 113.4 Ų | 113.4 | 81% | 0.807 | 62% | 0.617 | S | S | * | * | trans | 32.3 | 94 | 160 | -69.8 | -33.8 | 0 | 0 | 0 | 118 | ||||
| 252 | V | 36.4 | Very low | 48.7 | Very low | 128 Ų | 128 | 118.5 Ų | 118.5 | 78% | 0.776 | 64% | 0.637 | S | S | * | * | trans | -123.8 | 96.1 | 140.2 | -175.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 253 | L | 35.8 | Very low | 50.6 | Low | 152 Ų | 152 | 117.7 Ų | 117.7 | 80% | 0.796 | 64% | 0.635 | S | S | * | * | trans | 40.9 | 108 | 148.5 | -69.2 | 152.8 | 0 | 0 | 0 | 116.4 | E255 | L253-E255 PolarHBondContact O-N 2.87Š| ||
| 254 | D | 36.9 | Very low | 52.8 | Low | 163 Ų | 163 | 109.8 Ų | 109.8 | 87% | 0.872 | 59% | 0.593 | S | S | * | * | trans | -8.7 | 63.3 | 143 | -157.8 | 18.2 | 0 | 0 | 0 | 117 | S256 | D254-S256 PolarHBondContact O-N 3.25Š| ||
| 255 | E | 40.1 | Very low | 55.4 | Low | 165 Ų | 165 | 101 Ų | 101 | 77% | 0.771 | 56% | 0.56 | S | S | * | * | trans | -71 | 92.8 | 154 | -93.8 | -168.9 | 169.1 | 0 | 0 | 104.8 | L253 V257 | L253-E255 PolarHBondContact O-N 2.87Å; E255-V257 PolarHBondContact O-N 2.86Å | ||
| 256 | S | 41.3 | Very low | 58.3 | Low | 83 Ų | 83 | 99.4 Ų | 99.4 | 58% | 0.58 | 55% | 0.55 | S | S | * | * | trans | -25.1 | 114.9 | 169.7 | 56.7 | 0 | 0 | 0 | 0 | 109.7 | D254 E258 | D254-S256 PolarHBondContact O-N 3.25Å; S256-E258 WeakPolarHBondContact O-CA 3.49Å; S256-E258 PolarHBondContact O-N 3Å | ||
| 257 | V | 52.6 | Low | 61.2 | Low | 119 Ų | 119 | 97.2 Ų | 97.2 | 72% | 0.721 | 53% | 0.534 | S | S | * | . | trans | -56.7 | 89.5 | -179 | 177.4 | 0 | 0 | 0 | 0 | 108.2 | E255 T259 | E255-V257 PolarHBondContact O-N 2.86Å; V257-T259 WeakPolarHBondContact O-CG2 3.36Å; V257-T259 PolarHBondContact O-N 3.49Å | ||
| 258 | E | 63.1 | Low | 64 | Low | 49 Ų | 49 | 88.2 Ų | 88.2 | 23% | 0.229 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 116.3 | -168.5 | -92.3 | 174.6 | 167.6 | 0 | 0 | 107.6 | S256 K437 Y498 H502 R504 | S256-E258 WeakPolarHBondContact O-CA 3.49Å; S256-E258 PolarHBondContact O-N 3Å; E258-K437 WeakPolarHBondContact O-CE 3.46Å; E258-K437 PolarHBondContact O-NZ 3.36Å; E258-Y498 WeakPolarHBondContact CB-OH 3.43Å; E258-Y498 PolarHBondContact OE2-OH 3.48Å; E258-H502 VanDerWaalsContact CD-CG 3.47Å; E258-H502 VanDerWaalsContact CG-CD2 3.5Å; E258-H502 WeakPolarHBondContact CG-CD2 3.43Å; E258-H502 IonicContact OE1-CD2 3.5Å; E258-H502 PolarHBondContact OE1-CD2 2.84Å; E258-H502 IonicContact OE1-CG 2.74Å; E258-H502 IonicContact OE1-NE2 3.81Å; E258-H502 IonicContact OE2-CD2 3.84Å; E258-H502 PolarHBondContact OE2-CD2 3.34Å; E258-H502 IonicContact OE2-CE1 2.99Å; E258-H502 IonicContact OE2-CG 2.65Å; E258-H502 IonicContact OE2-ND1 3.11Å; E258-H502 IonicContact OE2-NE2 3.89Å; E258-R504 IonicContact OE1-NH2 3.77Å; E258-R504 IonicContact OE2-CZ 3.29Å; E258-R504 IonicContact OE2-NH2 3.31Å; E258-R504 PolarHBondContact OE2-NH2 2.98Å |
| 259 | T | 73.8 | Confident | 67 | Low | 100 Ų | 100 | 82.3 Ų | 82.3 | 61% | 0.613 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 137.7 | -166 | 54.2 | 0 | 0 | 0 | 0 | 110.9 | V257 D261 R501 | V257-T259 WeakPolarHBondContact O-CG2 3.36Å; V257-T259 PolarHBondContact O-N 3.49Å; T259-D261 PolarHBondContact O-N 3.47Å; T259-R501 PolarHBondContact O-NH1 3.18Å |
| 260 | I | 83.1 | Confident | 70 | Confident | 15 Ų | 15 | 80.1 Ų | 80.1 | 8% | 0.077 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -63 | 136.9 | 174.5 | -65.3 | 166.5 | 0 | 0 | 0 | 108.1 | Q262 V265 L434 K437 Y442 | I260-Q262 PolarHBondContact O-N 3.13Å; I260-V265 HydrophobicContact CG2-CG2 3.52Å; I260-L434 HydrophobicContact CD1-CD2 4.08Å; I260-L434 HydrophobicContact CG2-CD2 4.17Å; I260-K437 HydrophobicContact CD1-CB 4.14Å; I260-K437 HydrophobicContact CD1-CD 3.72Å; I260-K437 HydrophobicContact CD1-CG 4.34Å; I260-K437 HydrophobicContact CG1-CD 3.86Å; I260-Y442 HydrophobicContact CD1-CD2 4.49Å; I260-Y442 HydrophobicContact CD1-CE2 3.66Å |
| 261 | D | 87.6 | Confident | 72.8 | Confident | 17 Ų | 17 | 74.4 Ų | 74.4 | 9% | 0.091 | 41% | 0.413 | C | S | . | . | trans | -67.5 | 97.6 | 172.1 | -168.3 | -29.6 | 0 | 0 | 0 | 109.9 | T259 V263 A264 V265 R501 | T259-D261 PolarHBondContact O-N 3.47Å; D261-V263 PolarHBondContact O-N 2.89Å; D261-V263 WeakPolarHBondContact OD1-CA 3.01Å; D261-V263 WeakPolarHBondContact OD1-CB 3.1Å; D261-V263 PolarHBondContact OD1-N 3.34Å; D261-A264 HydrophobicContact CB-CB 3.85Å; D261-A264 PolarHBondContact O-N 3.18Å; D261-A264 PolarHBondContact OD1-N 3.15Å; D261-A264 VanDerWaalsContact OD1-N 3.08Å; D261-V265 WeakPolarHBondContact O-CG2 3.24Å; D261-V265 PolarHBondContact O-N 2.96Å; D261-R501 IonicContact OD2-NH2 3.91Å | ||
| 262 | Q | 89.8 | Confident | 75.5 | Confident | 146 Ų | 146 | 67.3 Ų | 67.3 | 68% | 0.682 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.4 | -30.6 | 179.9 | -67.9 | -173.3 | -17.3 | 0 | 0 | 112.3 | I260 V265 V266 | I260-Q262 PolarHBondContact O-N 3.13Å; Q262-V265 PolarHBondContact O-N 3.17Å; Q262-V266 WeakPolarHBondContact O-CB 3.37Å; Q262-V266 VanDerWaalsContact O-CG2 3.32Å; Q262-V266 WeakPolarHBondContact O-CG2 3.29Å; Q262-V266 PolarHBondContact O-N 2.96Å |
| 263 | V | 91.7 | Very high | 78.4 | Confident | 67 Ų | 67 | 63.9 Ų | 63.9 | 41% | 0.406 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.1 | -45.1 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | D261 V265 V266 T267 | D261-V263 PolarHBondContact O-N 2.89Å; D261-V263 WeakPolarHBondContact OD1-CA 3.01Å; D261-V263 WeakPolarHBondContact OD1-CB 3.1Å; D261-V263 PolarHBondContact OD1-N 3.34Å; V263-V265 VanDerWaalsContact C-N 3.3Å; V263-V265 PolarHBondContact O-N 3.06Å; V263-V266 PolarHBondContact O-N 2.85Å; V263-T267 VanDerWaalsContact O-CB 3.26Å; V263-T267 WeakPolarHBondContact O-CB 3.28Å; V263-T267 PolarHBondContact O-N 2.8Å; V263-T267 PolarHBondContact O-OG1 3.33Å; V263-T267 VanDerWaalsContact O-OG1 3.05Å |
| 264 | A | 91.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D261 S268 I433 R494 L495 | D261-A264 HydrophobicContact CB-CB 3.85Å; D261-A264 PolarHBondContact O-N 3.18Å; D261-A264 PolarHBondContact OD1-N 3.15Å; D261-A264 VanDerWaalsContact OD1-N 3.08Å; A264-S268 VanDerWaalsContact O-CB 3.32Å; A264-S268 WeakPolarHBondContact O-CB 3.36Å; A264-S268 PolarHBondContact O-N 2.77Å; A264-S268 PolarHBondContact O-OG 2.95Å; A264-I433 HydrophobicContact CB-CD1 4.21Å; A264-I433 HydrophobicContact CB-CG2 3.95Å; A264-R494 HydrophobicContact CB-CB 4.38Å; A264-L495 HydrophobicContact CB-CD2 4.16Å |
| 265 | V | 93.3 | Very high | 84.1 | Confident | 12 Ų | 12 | 49.3 Ų | 49.3 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -49.1 | 176.4 | 168.2 | 0 | 0 | 0 | 0 | 111.8 | I260 D261 Q262 V263 S268 N269 Y430 I433 L434 Y442 | I260-V265 HydrophobicContact CG2-CG2 3.52Å; D261-V265 WeakPolarHBondContact O-CG2 3.24Å; D261-V265 PolarHBondContact O-N 2.96Å; Q262-V265 PolarHBondContact O-N 3.17Å; V263-V265 VanDerWaalsContact C-N 3.3Å; V263-V265 PolarHBondContact O-N 3.06Å; V265-S268 PolarHBondContact O-N 3.09Å; V265-N269 PolarHBondContact O-N 3.39Å; V265-N269 PolarHBondContact O-ND2 3.07Å; V265-Y430 HydrophobicContact CB-CE2 4.25Å; V265-Y430 HydrophobicContact CG1-CE2 3.77Å; V265-Y430 WeakPolarHBondContact CG1-OH 3.48Å; V265-Y430 HydrophobicContact CG2-CE2 4.4Å; V265-I433 HydrophobicContact CG2-CG2 4.13Å; V265-L434 HydrophobicContact CG2-CD2 3.96Å; V265-Y442 HydrophobicContact CG1-CD1 4.02Å; V265-Y442 HydrophobicContact CG1-CE1 4.22Å |
| 266 | V | 94.8 | Very high | 86.7 | Confident | 90 Ų | 90 | 42.4 Ų | 42.4 | 55% | 0.545 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66 | -45.9 | 179.5 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | Q262 V263 S268 N269 V270 | Q262-V266 WeakPolarHBondContact O-CB 3.37Å; Q262-V266 VanDerWaalsContact O-CG2 3.32Å; Q262-V266 WeakPolarHBondContact O-CG2 3.29Å; Q262-V266 PolarHBondContact O-N 2.96Å; V263-V266 PolarHBondContact O-N 2.85Å; V266-S268 VanDerWaalsContact C-N 3.3Å; V266-S268 PolarHBondContact O-N 3.12Å; V266-N269 WeakPolarHBondContact O-CB 3.44Å; V266-N269 PolarHBondContact O-N 3.4Å; V266-N269 VanDerWaalsContact O-N 3.09Å; V266-V270 HydrophobicContact CG1-CG2 4.47Å; V266-V270 WeakPolarHBondContact O-CG2 3.41Å; V266-V270 PolarHBondContact O-N 3.31Å |
| 267 | T | 94.6 | Very high | 89.3 | Confident | 11 Ų | 11 | 39 Ų | 39 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.2 | -48 | 175 | -69.9 | 0 | 0 | 0 | 0 | 111.1 | V263 N269 V270 L271 L487 S491 L495 | V263-T267 VanDerWaalsContact O-CB 3.26Å; V263-T267 WeakPolarHBondContact O-CB 3.28Å; V263-T267 PolarHBondContact O-N 2.8Å; V263-T267 PolarHBondContact O-OG1 3.33Å; V263-T267 VanDerWaalsContact O-OG1 3.05Å; T267-N269 VanDerWaalsContact C-N 3.32Å; T267-N269 PolarHBondContact O-N 2.92Å; T267-V270 PolarHBondContact O-N 3.15Å; T267-L271 HydrophobicContact CG2-CD1 4.03Å; T267-L271 HydrophobicContact CG2-CG 4.32Å; T267-L271 WeakPolarHBondContact O-CG 3.32Å; T267-L271 PolarHBondContact O-N 3.47Å; T267-L487 HydrophobicContact CG2-CD2 3.86Å; T267-L487 HydrophobicContact CG2-CG 3.87Å; T267-S491 PolarHBondContact OG1-OG 3.25Å; T267-L495 HydrophobicContact CG2-CD1 4.39Å; T267-L495 HydrophobicContact CG2-CD2 4.39Å |
| 268 | S | 94.5 | Very high | 91.3 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 4% | 0.035 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -36.8 | 178.4 | -61.2 | 0 | 0 | 0 | 0 | 113 | A264 V265 V266 L271 F272 L495 | A264-S268 VanDerWaalsContact O-CB 3.32Å; A264-S268 WeakPolarHBondContact O-CB 3.36Å; A264-S268 PolarHBondContact O-N 2.77Å; A264-S268 PolarHBondContact O-OG 2.95Å; V265-S268 PolarHBondContact O-N 3.09Å; V266-S268 VanDerWaalsContact C-N 3.3Å; V266-S268 PolarHBondContact O-N 3.12Å; S268-L271 PolarHBondContact O-N 2.91Å; S268-F272 VanDerWaalsContact O-CB 3.31Å; S268-F272 WeakPolarHBondContact O-CB 3.48Å; S268-F272 PolarHBondContact O-N 3.45Å; S268-L495 WeakPolarHBondContact OG-CD2 3.06Å |
| 269 | N | 95.6 | Very high | 92.6 | Very high | 25 Ų | 25 | 33.8 Ų | 33.8 | 13% | 0.134 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.5 | -40.6 | 174.9 | -88 | -85.3 | 0 | 0 | 0 | 112.3 | V265 V266 T267 F273 Y430 L446 S449 | V265-N269 PolarHBondContact O-N 3.39Å; V265-N269 PolarHBondContact O-ND2 3.07Å; V266-N269 WeakPolarHBondContact O-CB 3.44Å; V266-N269 PolarHBondContact O-N 3.4Å; V266-N269 VanDerWaalsContact O-N 3.09Å; T267-N269 VanDerWaalsContact C-N 3.32Å; T267-N269 PolarHBondContact O-N 2.92Å; N269-F273 WeakPolarHBondContact O-CB 3.27Å; N269-F273 PolarHBondContact O-N 3.32Å; N269-Y430 WeakPolarHBondContact ND2-CE2 3.31Å; N269-Y430 PolarHBondContact ND2-OH 2.93Å; N269-Y430 VanDerWaalsContact ND2-OH 3.15Å; N269-L446 VanDerWaalsContact OD1-CA 3.23Å; N269-L446 WeakPolarHBondContact OD1-CA 3.32Å; N269-L446 PolarHBondContact OD1-N 3.24Å; N269-S449 PolarHBondContact O-OG 3.34Å; N269-S449 VanDerWaalsContact O-OG 3.08Å |
| 270 | V | 96.8 | Very high | 93.4 | Very high | 63 Ų | 63 | 29 Ų | 29 | 38% | 0.382 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -69 | -43.5 | 177 | 175 | 0 | 0 | 0 | 0 | 110.8 | V266 T267 F272 F273 I274 L487 | V266-V270 HydrophobicContact CG1-CG2 4.47Å; V266-V270 WeakPolarHBondContact O-CG2 3.41Å; V266-V270 PolarHBondContact O-N 3.31Å; T267-V270 PolarHBondContact O-N 3.15Å; V270-F272 VanDerWaalsContact C-N 3.31Å; V270-F272 PolarHBondContact O-N 3.5Å; V270-F273 WeakPolarHBondContact O-CB 3.36Å; V270-F273 PolarHBondContact O-N 2.96Å; V270-I274 HydrophobicContact CG1-CD1 4.12Å; V270-I274 WeakPolarHBondContact O-CG1 3.42Å; V270-I274 PolarHBondContact O-N 3.43Å; V270-L487 HydrophobicContact CB-CD2 3.96Å; V270-L487 HydrophobicContact CG1-CD2 3.75Å |
| 271 | L | 96.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 174.5 | -68.1 | 176.1 | 0 | 0 | 0 | 111.2 | T267 S268 I274 V275 L336 F340 G484 L487 L488 | T267-L271 HydrophobicContact CG2-CD1 4.03Å; T267-L271 HydrophobicContact CG2-CG 4.32Å; T267-L271 WeakPolarHBondContact O-CG 3.32Å; T267-L271 PolarHBondContact O-N 3.47Å; S268-L271 PolarHBondContact O-N 2.91Å; L271-I274 PolarHBondContact O-N 3.13Å; L271-V275 VanDerWaalsContact O-CG2 3.31Å; L271-V275 WeakPolarHBondContact O-CG2 3.48Å; L271-V275 PolarHBondContact O-N 2.94Å; L271-L336 HydrophobicContact CD1-CD2 4.33Å; L271-F340 HydrophobicContact CB-CE2 4.48Å; L271-F340 HydrophobicContact CB-CZ 4.27Å; L271-F340 HydrophobicContact CD2-CE2 4.05Å; L271-F340 HydrophobicContact CD2-CZ 3.96Å; L271-G484 WeakPolarHBondContact CD2-O 3.15Å; L271-L487 HydrophobicContact CD2-CB 4.32Å; L271-L487 HydrophobicContact CD2-CD2 3.96Å; L271-L487 HydrophobicContact CG-CD2 4.08Å; L271-L488 HydrophobicContact CD1-CB 4.17Å; L271-L488 HydrophobicContact CD1-CD1 3.96Å; L271-L488 HydrophobicContact CD2-CB 4.26Å |
| 272 | F | 96.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 177.1 | -177.5 | -112.1 | 0 | 0 | 0 | 112.4 | S268 V270 I274 V275 M276 N423 Y427 L446 | S268-F272 VanDerWaalsContact O-CB 3.31Å; S268-F272 WeakPolarHBondContact O-CB 3.48Å; S268-F272 PolarHBondContact O-N 3.45Å; V270-F272 VanDerWaalsContact C-N 3.31Å; V270-F272 PolarHBondContact O-N 3.5Å; F272-I274 PolarHBondContact O-N 2.73Å; F272-V275 PolarHBondContact O-N 2.9Å; F272-M276 HydrophobicContact CD1-CG 4.38Å; F272-M276 HydrophobicContact CD2-CG 4.16Å; F272-M276 HydrophobicContact CE1-CG 3.85Å; F272-M276 HydrophobicContact CE2-CG 3.57Å; F272-M276 HydrophobicContact CE2-SD 3.94Å; F272-M276 HydrophobicContact CZ-CE 4.37Å; F272-M276 HydrophobicContact CZ-CG 3.36Å; F272-M276 HydrophobicContact CZ-SD 3.83Å; F272-M276 WeakPolarHBondContact O-CG 3.42Å; F272-M276 PolarHBondContact O-N 2.84Å; F272-N423 WeakPolarHBondContact CE2-OD1 3.19Å; F272-Y427 HydrophobicContact CD2-CE1 4.24Å; F272-Y427 HydrophobicContact CE1-CE1 4.27Å; F272-Y427 AromaticContact CE2-CE1 3.56Å; F272-Y427 HydrophobicContact CE2-CE1 3.56Å; F272-Y427 HydrophobicContact CE2-CE2 4.43Å; F272-Y427 AromaticContact CE2-CZ 3.5Å; F272-Y427 VanDerWaalsContact CE2-CZ 3.5Å; F272-Y427 WeakPolarHBondContact CE2-OH 3.26Å; F272-Y427 AromaticContact CZ-CE1 3.6Å; F272-Y427 HydrophobicContact CZ-CE1 3.6Å; F272-Y427 AromaticContact CZ-CZ 3.63Å; F272-Y427 WeakPolarHBondContact CZ-OH 3.16Å; F272-L446 HydrophobicContact CB-CD1 3.63Å; F272-L446 HydrophobicContact CD1-CD1 3.63Å; F272-L446 HydrophobicContact CD1-CG 3.77Å; F272-L446 VanDerWaalsContact CD1-O 3.22Å; F272-L446 WeakPolarHBondContact CD1-O 3.33Å; F272-L446 HydrophobicContact CE1-CG 4.21Å; F272-L446 WeakPolarHBondContact CE1-O 3.46Å; F272-L446 HydrophobicContact CG-CD1 3.72Å; F272-L446 HydrophobicContact CG-CG 4.16Å |
| 273 | F | 96.9 | Very high | 93.8 | Very high | 56 Ų | 56 | 25.5 Ų | 25.5 | 25% | 0.246 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56 | -50.8 | 171.9 | -175.9 | -86.7 | 0 | 0 | 0 | 110.9 | N269 V270 V275 M276 F277 S449 A453 L456 | N269-F273 WeakPolarHBondContact O-CB 3.27Å; N269-F273 PolarHBondContact O-N 3.32Å; V270-F273 WeakPolarHBondContact O-CB 3.36Å; V270-F273 PolarHBondContact O-N 2.96Å; F273-V275 PolarHBondContact O-N 3.19Å; F273-M276 PolarHBondContact O-N 2.84Å; F273-F277 HydrophobicContact CD1-CB 4.39Å; F273-F277 HydrophobicContact CE1-CB 4.22Å; F273-F277 AromaticContact CE1-CD2 3.95Å; F273-F277 HydrophobicContact CE1-CD2 3.95Å; F273-F277 HydrophobicContact CE1-CG 4.3Å; F273-F277 HydrophobicContact CZ-CD2 4.15Å; F273-F277 WeakPolarHBondContact O-CB 3.25Å; F273-F277 PolarHBondContact O-N 3.44Å; F273-S449 WeakPolarHBondContact CB-OG 3.47Å; F273-S449 WeakPolarHBondContact CD2-O 3.3Å; F273-A453 HydrophobicContact CD1-CB 4.42Å; F273-A453 HydrophobicContact CD2-CB 3.7Å; F273-A453 HydrophobicContact CE1-CB 4.45Å; F273-A453 HydrophobicContact CE2-CB 3.75Å; F273-A453 HydrophobicContact CG-CB 4.05Å; F273-A453 HydrophobicContact CZ-CB 4.13Å; F273-A453 WeakPolarHBondContact O-CB 3.37Å; F273-L456 HydrophobicContact CE2-CD1 4.37Å; F273-L456 HydrophobicContact CZ-CD1 4.01Å |
| 274 | I | 96.9 | Very high | 93.5 | Very high | 9 Ų | 9 | 24.8 Ų | 24.8 | 5% | 0.046 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.2 | -48.3 | -179.9 | -67.9 | 166.5 | 0 | 0 | 0 | 110.3 | V270 L271 F272 M276 F277 I278 F340 | V270-I274 HydrophobicContact CG1-CD1 4.12Å; V270-I274 WeakPolarHBondContact O-CG1 3.42Å; V270-I274 PolarHBondContact O-N 3.43Å; L271-I274 PolarHBondContact O-N 3.13Å; F272-I274 PolarHBondContact O-N 2.73Å; I274-M276 PolarHBondContact O-N 3.16Å; I274-F277 PolarHBondContact O-N 3.15Å; I274-I278 HydrophobicContact CG2-CD1 3.63Å; I274-I278 HydrophobicContact CG2-CG1 4.37Å; I274-I278 WeakPolarHBondContact O-CB 3.4Å; I274-I278 WeakPolarHBondContact O-CD1 3.3Å; I274-I278 WeakPolarHBondContact O-CG1 3.14Å; I274-I278 PolarHBondContact O-N 3.1Å; I274-F340 HydrophobicContact CG2-CE1 4.13Å |
| 275 | V | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.4 | -46.9 | 179.7 | 173 | 0 | 0 | 0 | 0 | 111.6 | L271 F272 F273 F279 F340 Y419 C422 | L271-V275 VanDerWaalsContact O-CG2 3.31Å; L271-V275 WeakPolarHBondContact O-CG2 3.48Å; L271-V275 PolarHBondContact O-N 2.94Å; F272-V275 PolarHBondContact O-N 2.9Å; F273-V275 PolarHBondContact O-N 3.19Å; V275-F279 PolarHBondContact O-N 2.86Å; V275-F340 HydrophobicContact CG2-CE1 3.74Å; V275-F340 HydrophobicContact CG2-CE2 4.28Å; V275-F340 HydrophobicContact CG2-CZ 3.49Å; V275-F340 VanDerWaalsContact CG2-CZ 3.49Å; V275-Y419 HydrophobicContact CG1-CD2 3.67Å; V275-Y419 HydrophobicContact CG1-CE2 3.76Å; V275-C422 HydrophobicContact CB-CB 4.48Å; V275-C422 HydrophobicContact CG1-CB 3.84Å; V275-C422 HydrophobicContact CG2-CB 3.7Å |
| 276 | M | 94.8 | Very high | 93.3 | Very high | 19 Ų | 19 | 25 Ų | 25 | 9% | 0.094 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.8 | -32.5 | 179.5 | -69 | -63.1 | -76 | 0 | 0 | 112.7 | F272 F273 I274 A280 Y419 A453 R454 | F272-M276 HydrophobicContact CD1-CG 4.38Å; F272-M276 HydrophobicContact CD2-CG 4.16Å; F272-M276 HydrophobicContact CE1-CG 3.85Å; F272-M276 HydrophobicContact CE2-CG 3.57Å; F272-M276 HydrophobicContact CE2-SD 3.94Å; F272-M276 HydrophobicContact CZ-CE 4.37Å; F272-M276 HydrophobicContact CZ-CG 3.36Å; F272-M276 HydrophobicContact CZ-SD 3.83Å; F272-M276 WeakPolarHBondContact O-CG 3.42Å; F272-M276 PolarHBondContact O-N 2.84Å; F273-M276 PolarHBondContact O-N 2.84Å; I274-M276 PolarHBondContact O-N 3.16Å; M276-A280 WeakPolarHBondContact O-CB 3.3Å; M276-A280 PolarHBondContact O-N 3.35Å; M276-Y419 HydrophobicContact SD-CE2 4.21Å; M276-Y419 PolarHBondContact SD-OH 2.93Å; M276-Y419 VanDerWaalsContact SD-OH 3.34Å; M276-A453 HydrophobicContact CB-CB 3.75Å; M276-R454 HydrophobicContact CE-CG 4.16Å |
| 277 | F | 95.3 | Very high | 93 | Very high | 11 Ų | 11 | 22.9 Ų | 22.9 | 5% | 0.048 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.8 | -47.1 | 177.9 | -175.2 | -91.3 | 0 | 0 | 0 | 110.5 | F273 I274 F279 A280 V281 A453 L456 G457 F460 M480 | F273-F277 HydrophobicContact CD1-CB 4.39Å; F273-F277 HydrophobicContact CE1-CB 4.22Å; F273-F277 AromaticContact CE1-CD2 3.95Å; F273-F277 HydrophobicContact CE1-CD2 3.95Å; F273-F277 HydrophobicContact CE1-CG 4.3Å; F273-F277 HydrophobicContact CZ-CD2 4.15Å; F273-F277 WeakPolarHBondContact O-CB 3.25Å; F273-F277 PolarHBondContact O-N 3.44Å; I274-F277 PolarHBondContact O-N 3.15Å; F277-F279 VanDerWaalsContact C-N 3.32Å; F277-F279 PolarHBondContact O-N 2.99Å; F277-A280 PolarHBondContact O-N 2.92Å; F277-V281 HydrophobicContact CD1-CG2 3.92Å; F277-V281 HydrophobicContact CE1-CG2 3.7Å; F277-V281 HydrophobicContact CZ-CG2 4.19Å; F277-V281 WeakPolarHBondContact O-CB 3.29Å; F277-V281 VanDerWaalsContact O-CG2 3.28Å; F277-V281 WeakPolarHBondContact O-CG2 3.43Å; F277-V281 PolarHBondContact O-N 3.15Å; F277-A453 HydrophobicContact CB-CB 3.95Å; F277-L456 HydrophobicContact CD2-CB 4.47Å; F277-L456 HydrophobicContact CE2-CB 4.07Å; F277-G457 VanDerWaalsContact CE2-CA 3.45Å; F277-F460 AromaticContact CE1-CD1 3.68Å; F277-F460 HydrophobicContact CE1-CD1 3.68Å; F277-F460 HydrophobicContact CE1-CE1 4.01Å; F277-F460 HydrophobicContact CE1-CG 4.2Å; F277-F460 HydrophobicContact CE2-CB 4.22Å; F277-F460 HydrophobicContact CZ-CB 3.64Å; F277-F460 AromaticContact CZ-CD1 3.48Å; F277-F460 HydrophobicContact CZ-CD1 3.48Å; F277-F460 VanDerWaalsContact CZ-CD1 3.48Å; F277-F460 HydrophobicContact CZ-CD2 4.27Å; F277-F460 HydrophobicContact CZ-CE1 4.18Å; F277-F460 AromaticContact CZ-CG 3.53Å; F277-F460 HydrophobicContact CZ-CG 3.53Å; F277-M480 HydrophobicContact CD1-CE 3.46Å; F277-M480 VanDerWaalsContact CD1-CE 3.46Å; F277-M480 HydrophobicContact CD1-SD 3.89Å; F277-M480 HydrophobicContact CE1-CE 3.69Å; F277-M480 HydrophobicContact CE1-SD 3.62Å; F277-M480 HydrophobicContact CG-CE 4.06Å; F277-M480 HydrophobicContact CZ-CE 4.44Å; F277-M480 HydrophobicContact CZ-SD 4.5Å |
| 278 | I | 93.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.9 | -47 | 176.6 | -69.7 | 166.2 | 0 | 0 | 0 | 110.9 | I274 V281 F282 I343 F347 I477 V481 | I274-I278 HydrophobicContact CG2-CD1 3.63Å; I274-I278 HydrophobicContact CG2-CG1 4.37Å; I274-I278 WeakPolarHBondContact O-CB 3.4Å; I274-I278 WeakPolarHBondContact O-CD1 3.3Å; I274-I278 WeakPolarHBondContact O-CG1 3.14Å; I274-I278 PolarHBondContact O-N 3.1Å; I278-V281 PolarHBondContact O-N 2.94Å; I278-F282 WeakPolarHBondContact O-CB 3.41Å; I278-F282 PolarHBondContact O-N 3.13Å; I278-I343 HydrophobicContact CD1-CG2 4.33Å; I278-I343 HydrophobicContact CG2-CG2 4.14Å; I278-F347 HydrophobicContact CG2-CD2 4.31Å; I278-F347 HydrophobicContact CG2-CE2 3.23Å; I278-F347 HydrophobicContact CG2-CZ 3.54Å; I278-I477 HydrophobicContact CG1-CG2 4.04Å; I278-I477 HydrophobicContact CG2-CG2 4.34Å; I278-V481 HydrophobicContact CD1-CG2 3.38Å; I278-V481 HydrophobicContact CG1-CG2 4.44Å |
| 279 | F | 91.2 | Very high | 92.5 | Very high | 56 Ų | 56 | 24.5 Ų | 24.5 | 25% | 0.246 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.2 | -48.2 | 177.1 | 176.4 | -96.6 | 0 | 0 | 0 | 112 | V275 F277 V281 F282 E283 Y419 | V275-F279 PolarHBondContact O-N 2.86Å; F277-F279 VanDerWaalsContact C-N 3.32Å; F277-F279 PolarHBondContact O-N 2.99Å; F279-V281 VanDerWaalsContact C-N 3.3Å; F279-V281 PolarHBondContact O-N 3.34Å; F279-F282 PolarHBondContact O-N 2.88Å; F279-E283 WeakPolarHBondContact CE1-OE2 3.43Å; F279-E283 VanDerWaalsContact O-CB 3.31Å; F279-E283 WeakPolarHBondContact O-CB 3.37Å; F279-E283 PolarHBondContact O-N 3.3Å; F279-Y419 HydrophobicContact CB-CD2 3.72Å; F279-Y419 HydrophobicContact CB-CE2 3.36Å; F279-Y419 HydrophobicContact CB-CG 4.47Å; F279-Y419 AromaticContact CD2-CD1 3.84Å; F279-Y419 HydrophobicContact CD2-CD1 3.84Å; F279-Y419 HydrophobicContact CD2-CD2 4.15Å; F279-Y419 AromaticContact CD2-CE1 3.63Å; F279-Y419 HydrophobicContact CD2-CE1 3.63Å; F279-Y419 AromaticContact CD2-CE2 3.95Å; F279-Y419 HydrophobicContact CD2-CE2 3.95Å; F279-Y419 HydrophobicContact CD2-CG 4.1Å; F279-Y419 AromaticContact CD2-CZ 3.68Å; F279-Y419 HydrophobicContact CE2-CD1 4.32Å; F279-Y419 AromaticContact CE2-CE1 3.97Å; F279-Y419 HydrophobicContact CE2-CE1 3.97Å; F279-Y419 HydrophobicContact CG-CD2 4.21Å; F279-Y419 HydrophobicContact CG-CE1 4.07Å; F279-Y419 AromaticContact CG-CE2 3.7Å; F279-Y419 HydrophobicContact CG-CE2 3.7Å; F279-Y419 AromaticContact CG-CZ 3.61Å |
| 280 | A | 90.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.4 | -38.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M276 F277 T284 R454 | M276-A280 WeakPolarHBondContact O-CB 3.3Å; M276-A280 PolarHBondContact O-N 3.35Å; F277-A280 PolarHBondContact O-N 2.92Å; A280-T284 WeakPolarHBondContact O-CB 3.14Å; A280-T284 PolarHBondContact O-N 3.08Å; A280-T284 VanDerWaalsContact O-N 3.09Å; A280-T284 PolarHBondContact O-OG1 3.1Å; A280-R454 HydrophobicContact CB-CB 4.39Å; A280-R454 HydrophobicContact CB-CG 4.19Å |
| 281 | V | 91.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63 | -49.4 | 174.8 | 166.6 | 0 | 0 | 0 | 0 | 110.7 | F277 I278 F279 T284 I285 F460 V461 I477 | F277-V281 HydrophobicContact CD1-CG2 3.92Å; F277-V281 HydrophobicContact CE1-CG2 3.7Å; F277-V281 HydrophobicContact CZ-CG2 4.19Å; F277-V281 WeakPolarHBondContact O-CB 3.29Å; F277-V281 VanDerWaalsContact O-CG2 3.28Å; F277-V281 WeakPolarHBondContact O-CG2 3.43Å; F277-V281 PolarHBondContact O-N 3.15Å; I278-V281 PolarHBondContact O-N 2.94Å; F279-V281 VanDerWaalsContact C-N 3.3Å; F279-V281 PolarHBondContact O-N 3.34Å; V281-T284 PolarHBondContact O-N 2.56Å; V281-I285 WeakPolarHBondContact O-CG2 3.37Å; V281-I285 PolarHBondContact O-N 2.98Å; V281-F460 HydrophobicContact CG2-CD1 4.15Å; V281-V461 HydrophobicContact CB-CB 4.33Å; V281-V461 HydrophobicContact CG1-CB 3.67Å; V281-V461 HydrophobicContact CG1-CG1 4.23Å; V281-V461 HydrophobicContact CG1-CG2 3.6Å; V281-V461 HydrophobicContact CG2-CB 4.15Å; V281-I477 HydrophobicContact CB-CD1 4.32Å; V281-I477 HydrophobicContact CG1-CD1 3.35Å; V281-I477 HydrophobicContact CG1-CG1 4.27Å |
| 282 | F | 89.3 | Confident | 91.4 | Very high | 18 Ų | 18 | 22.9 Ų | 22.9 | 8% | 0.079 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.7 | -47.3 | -179.7 | -173.5 | -96.8 | 0 | 0 | 0 | 112 | I278 F279 T284 I285 A286 F347 L350 D412 I415 | I278-F282 WeakPolarHBondContact O-CB 3.41Å; I278-F282 PolarHBondContact O-N 3.13Å; F279-F282 PolarHBondContact O-N 2.88Å; F282-T284 VanDerWaalsContact C-N 3.27Å; F282-T284 PolarHBondContact O-N 2.99Å; F282-I285 PolarHBondContact O-N 3.29Å; F282-A286 WeakPolarHBondContact O-CB 3.46Å; F282-A286 PolarHBondContact O-N 3.14Å; F282-F347 HydrophobicContact CB-CZ 4.41Å; F282-F347 HydrophobicContact CD2-CE1 4.44Å; F282-F347 HydrophobicContact CD2-CZ 4.31Å; F282-L350 HydrophobicContact CD2-CD2 4.47Å; F282-L350 HydrophobicContact CE2-CD2 4.21Å; F282-D412 WeakPolarHBondContact CE1-OD1 3.32Å; F282-D412 HydrophobicContact CZ-CB 4.11Å; F282-D412 WeakPolarHBondContact CZ-OD1 3.47Å; F282-I415 HydrophobicContact CD2-CD1 3.97Å; F282-I415 HydrophobicContact CE2-CD1 3.96Å |
| 283 | E | 86.6 | Confident | 91.1 | Very high | 85 Ų | 85 | 23.3 Ų | 23.3 | 40% | 0.397 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -54.4 | -42.6 | 175.5 | -178.2 | -178.5 | -161.2 | 0 | 0 | 111.8 | F279 | F279-E283 WeakPolarHBondContact CE1-OE2 3.43Å; F279-E283 VanDerWaalsContact O-CB 3.31Å; F279-E283 WeakPolarHBondContact O-CB 3.37Å; F279-E283 PolarHBondContact O-N 3.3Å |
| 284 | T | 87.4 | Confident | 90.8 | Very high | 52 Ų | 52 | 22.6 Ų | 22.6 | 32% | 0.319 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -72.6 | -43.3 | -177.9 | -57 | 0 | 0 | 0 | 0 | 112.2 | A280 V281 F282 P288 P458 V461 | A280-T284 WeakPolarHBondContact O-CB 3.14Å; A280-T284 PolarHBondContact O-N 3.08Å; A280-T284 VanDerWaalsContact O-N 3.09Å; A280-T284 PolarHBondContact O-OG1 3.1Å; V281-T284 PolarHBondContact O-N 2.56Å; F282-T284 VanDerWaalsContact C-N 3.27Å; F282-T284 PolarHBondContact O-N 2.99Å; T284-P288 WeakPolarHBondContact O-CD 3.48Å; T284-P458 HydrophobicContact CG2-CB 3.93Å; T284-P458 WeakPolarHBondContact OG1-CB 3.29Å; T284-P458 WeakPolarHBondContact OG1-CG 3.43Å; T284-V461 HydrophobicContact CG2-CG1 3.98Å |
| 285 | I | 89.8 | Confident | 90.4 | Very high | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.036 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -87.7 | -18.1 | -169.3 | -156.6 | 66.6 | 0 | 0 | 0 | 113.9 | V281 F282 T287 P288 L289 V461 Y465 F474 | V281-I285 WeakPolarHBondContact O-CG2 3.37Å; V281-I285 PolarHBondContact O-N 2.98Å; F282-I285 PolarHBondContact O-N 3.29Å; I285-T287 VanDerWaalsContact C-N 3.32Å; I285-T287 PolarHBondContact O-N 3.43Å; I285-P288 HydrophobicContact CD1-CG 3.87Å; I285-P288 HydrophobicContact CG1-CG 4.46Å; I285-P288 VanDerWaalsContact O-CD 3.22Å; I285-P288 WeakPolarHBondContact O-CD 3.18Å; I285-P288 WeakPolarHBondContact O-CG 3.47Å; I285-L289 HydrophobicContact CG1-CB 4.39Å; I285-L289 WeakPolarHBondContact O-CB 3.01Å; I285-L289 PolarHBondContact O-N 2.93Å; I285-V461 HydrophobicContact CB-CG1 4.49Å; I285-V461 HydrophobicContact CB-CG2 3.93Å; I285-V461 HydrophobicContact CD1-CG2 4.01Å; I285-V461 HydrophobicContact CG1-CG2 3.99Å; I285-V461 HydrophobicContact CG2-CG2 4.44Å; I285-Y465 HydrophobicContact CD1-CD1 3.54Å; I285-Y465 HydrophobicContact CD1-CD2 3.55Å; I285-Y465 HydrophobicContact CD1-CE1 3.99Å; I285-Y465 HydrophobicContact CD1-CE2 3.99Å; I285-Y465 HydrophobicContact CD1-CG 3.29Å; I285-Y465 HydrophobicContact CG1-CD2 3.81Å; I285-Y465 HydrophobicContact CG1-CE2 4.09Å; I285-Y465 HydrophobicContact CG1-CG 4.09Å; I285-F474 HydrophobicContact CG2-CE1 4.17Å |
| 286 | A | 90.1 | Very high | 90 | Very high | 9 Ų | 9 | 25 Ų | 25 | 7% | 0.074 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -50.6 | -47.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F282 S290 N305 Y408 | F282-A286 WeakPolarHBondContact O-CB 3.46Å; F282-A286 PolarHBondContact O-N 3.14Å; A286-S290 WeakPolarHBondContact O-CB 3.3Å; A286-S290 PolarHBondContact O-N 2.96Å; A286-S290 VanDerWaalsContact O-N 3.07Å; A286-S290 PolarHBondContact O-OG 3.2Å; A286-N305 PolarHBondContact O-ND2 2.94Å; A286-Y408 WeakPolarHBondContact CB-OH 3.3Å |
| 287 | T | 88.1 | Confident | 89.6 | Confident | 47 Ų | 47 | 25.9 Ų | 25.9 | 29% | 0.288 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -66.9 | -59.2 | -179.5 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | I285 L289 S290 M291 A301 V302 | I285-T287 VanDerWaalsContact C-N 3.32Å; I285-T287 PolarHBondContact O-N 3.43Å; T287-L289 VanDerWaalsContact C-N 3.31Å; T287-L289 PolarHBondContact O-N 2.65Å; T287-S290 PolarHBondContact O-N 3.06Å; T287-S290 PolarHBondContact O-OG 3.13Å; T287-M291 HydrophobicContact CG2-SD 4.32Å; T287-M291 WeakPolarHBondContact O-CG 3.23Å; T287-M291 PolarHBondContact O-N 3.47Å; T287-M291 VanDerWaalsContact O-N 3.13Å; T287-A301 HydrophobicContact CG2-CB 4.24Å; T287-V302 HydrophobicContact CG2-CG2 4.24Å |
| 288 | P | 87.9 | Confident | 88.9 | Confident | 48 Ų | 48 | 32.5 Ų | 32.5 | 31% | 0.312 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.7 | -39 | 179.7 | 23.1 | -33.4 | 0 | 0 | 0 | 112.5 | T284 I285 S290 M291 D292 | T284-P288 WeakPolarHBondContact O-CD 3.48Å; I285-P288 HydrophobicContact CD1-CG 3.87Å; I285-P288 HydrophobicContact CG1-CG 4.46Å; I285-P288 VanDerWaalsContact O-CD 3.22Å; I285-P288 WeakPolarHBondContact O-CD 3.18Å; I285-P288 WeakPolarHBondContact O-CG 3.47Å; P288-S290 VanDerWaalsContact C-N 3.33Å; P288-S290 PolarHBondContact O-N 3.36Å; P288-M291 PolarHBondContact O-N 3.14Å; P288-D292 VanDerWaalsContact O-CG 3.27Å; P288-D292 PolarHBondContact O-N 3.4Å |
| 289 | L | 91.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.3 | -46.1 | 175.7 | -176.1 | 74.2 | 0 | 0 | 0 | 111.8 | I285 T287 M291 D292 M293 I403 Y408 Y465 P470 F474 | I285-L289 HydrophobicContact CG1-CB 4.39Å; I285-L289 WeakPolarHBondContact O-CB 3.01Å; I285-L289 PolarHBondContact O-N 2.93Å; T287-L289 VanDerWaalsContact C-N 3.31Å; T287-L289 PolarHBondContact O-N 2.65Å; L289-M291 VanDerWaalsContact C-N 3.33Å; L289-M291 PolarHBondContact O-N 3.32Å; L289-D292 PolarHBondContact O-N 2.97Å; L289-M293 HydrophobicContact CD1-CE 4.24Å; L289-M293 HydrophobicContact CD1-CG 3.82Å; L289-M293 HydrophobicContact CG-CG 4.07Å; L289-M293 VanDerWaalsContact O-CB 3.24Å; L289-M293 WeakPolarHBondContact O-CB 3.23Å; L289-M293 WeakPolarHBondContact O-CG 3.39Å; L289-M293 PolarHBondContact O-N 2.85Å; L289-I403 HydrophobicContact CD1-CD1 4.09Å; L289-I403 HydrophobicContact CD2-CD1 4.36Å; L289-Y408 HydrophobicContact CD2-CD2 4.19Å; L289-Y408 HydrophobicContact CD2-CE2 3.99Å; L289-Y465 HydrophobicContact CD1-CE2 3.79Å; L289-P470 HydrophobicContact CD1-CB 4.07Å; L289-F474 HydrophobicContact CD1-CE2 4.13Å; L289-F474 HydrophobicContact CD1-CZ 4Å; L289-F474 HydrophobicContact CD2-CE2 4.18Å; L289-F474 HydrophobicContact CD2-CZ 3.72Å; L289-F474 HydrophobicContact CG-CZ 4.48Å |
| 290 | S | 91 | Very high | 88.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.3 | -34.2 | -179.4 | 69.5 | 0 | 0 | 0 | 0 | 112.9 | A286 T287 P288 F294 A301 N305 | A286-S290 WeakPolarHBondContact O-CB 3.3Å; A286-S290 PolarHBondContact O-N 2.96Å; A286-S290 VanDerWaalsContact O-N 3.07Å; A286-S290 PolarHBondContact O-OG 3.2Å; T287-S290 PolarHBondContact O-N 3.06Å; T287-S290 PolarHBondContact O-OG 3.13Å; P288-S290 VanDerWaalsContact C-N 3.33Å; P288-S290 PolarHBondContact O-N 3.36Å; S290-F294 VanDerWaalsContact O-CB 3.31Å; S290-F294 WeakPolarHBondContact O-CB 3.35Å; S290-F294 WeakPolarHBondContact O-CD2 3.22Å; S290-F294 PolarHBondContact O-N 3.39Å; S290-A301 WeakPolarHBondContact OG-CB 3.36Å; S290-N305 PolarHBondContact OG-ND2 3.02Å |
| 291 | M | 87.6 | Confident | 87.9 | Confident | 41 Ų | 41 | 41.4 Ų | 41.4 | 20% | 0.202 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.7 | -46.3 | 173.8 | -67.4 | 178 | 62.5 | 0 | 0 | 111 | T287 P288 L289 A295 R298 A301 | T287-M291 HydrophobicContact CG2-SD 4.32Å; T287-M291 WeakPolarHBondContact O-CG 3.23Å; T287-M291 PolarHBondContact O-N 3.47Å; T287-M291 VanDerWaalsContact O-N 3.13Å; P288-M291 PolarHBondContact O-N 3.14Å; L289-M291 VanDerWaalsContact C-N 3.33Å; L289-M291 PolarHBondContact O-N 3.32Å; M291-A295 VanDerWaalsContact O-CA 3.28Å; M291-A295 WeakPolarHBondContact O-CA 3.31Å; M291-A295 PolarHBondContact O-N 2.88Å; M291-A295 VanDerWaalsContact O-N 3.14Å; M291-R298 HydrophobicContact CE-CB 3.97Å; M291-R298 HydrophobicContact CE-CG 4.48Å; M291-R298 HydrophobicContact SD-CB 4.34Å; M291-R298 HydrophobicContact SD-CG 4.4Å; M291-A301 HydrophobicContact CG-CB 3.49Å; M291-A301 VanDerWaalsContact CG-CB 3.49Å; M291-A301 HydrophobicContact SD-CB 4.35Å |
| 292 | D | 87.8 | Confident | 87.5 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 9% | 0.086 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.8 | -40.1 | -176.1 | -64.6 | -23.5 | 0 | 0 | 0 | 112.3 | P288 L289 C390 P391 W396 Y465 | P288-D292 VanDerWaalsContact O-CG 3.27Å; P288-D292 PolarHBondContact O-N 3.4Å; L289-D292 PolarHBondContact O-N 2.97Å; D292-C390 HydrophobicContact CB-CB 4.46Å; D292-P391 WeakPolarHBondContact OD1-CD 3.3Å; D292-W396 HydrophobicContact CB-CH2 4.16Å; D292-Y465 WeakPolarHBondContact CB-OH 3.38Å; D292-Y465 WeakPolarHBondContact OD2-CE1 3.25Å; D292-Y465 PolarHBondContact OD2-OH 3.39Å |
| 293 | M | 90 | Very high | 87.4 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 5% | 0.054 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -83.2 | -40.2 | -175.5 | -65.2 | -67.5 | 137.3 | 0 | 0 | 113.4 | L289 W396 I403 P470 | L289-M293 HydrophobicContact CD1-CE 4.24Å; L289-M293 HydrophobicContact CD1-CG 3.82Å; L289-M293 HydrophobicContact CG-CG 4.07Å; L289-M293 VanDerWaalsContact O-CB 3.24Å; L289-M293 WeakPolarHBondContact O-CB 3.23Å; L289-M293 WeakPolarHBondContact O-CG 3.39Å; L289-M293 PolarHBondContact O-N 2.85Å; M293-W396 HydrophobicContact CE-CH2 3.76Å; M293-W396 HydrophobicContact CE-CZ3 3.41Å; M293-W396 VanDerWaalsContact CE-CZ3 3.41Å; M293-I403 HydrophobicContact CG-CB 4.48Å; M293-I403 HydrophobicContact CG-CD1 4.38Å; M293-I403 HydrophobicContact SD-CB 4.41Å; M293-I403 HydrophobicContact SD-CD1 4.36Å; M293-I403 HydrophobicContact SD-CG1 4.14Å; M293-P470 HydrophobicContact CE-CG 3.66Å |
| 294 | F | 90.2 | Very high | 87.4 | Confident | 40 Ų | 40 | 50 Ų | 50 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -103.3 | -2.8 | -173.4 | -50.1 | -51 | 0 | 0 | 0 | 113.7 | S290 W296 I403 L405 Y408 | S290-F294 VanDerWaalsContact O-CB 3.31Å; S290-F294 WeakPolarHBondContact O-CB 3.35Å; S290-F294 WeakPolarHBondContact O-CD2 3.22Å; S290-F294 PolarHBondContact O-N 3.39Å; F294-W296 HydrophobicContact CB-CD2 3.89Å; F294-W296 HydrophobicContact CB-CG 3.88Å; F294-W296 HydrophobicContact CB-CZ2 4.41Å; F294-W296 HydrophobicContact CD2-CD2 4.08Å; F294-W296 HydrophobicContact CD2-CE3 4.06Å; F294-W296 HydrophobicContact CD2-CH2 4.01Å; F294-W296 AromaticContact CD2-CZ2 4Å; F294-W296 HydrophobicContact CD2-CZ2 4Å; F294-W296 HydrophobicContact CD2-CZ3 4.03Å; F294-W296 HydrophobicContact CE2-CH2 4.42Å; F294-W296 HydrophobicContact CG-CD2 4.42Å; F294-W296 HydrophobicContact CG-CZ2 4.35Å; F294-W296 PolarHBondContact O-N 3.4Å; F294-I403 VanDerWaalsContact CE1-O 3.22Å; F294-I403 WeakPolarHBondContact CE1-O 3.47Å; F294-L405 HydrophobicContact CD1-CB 4.47Å; F294-L405 HydrophobicContact CD2-CD1 4.36Å; F294-L405 HydrophobicContact CE1-CB 4.01Å; F294-L405 HydrophobicContact CE1-CD1 4.28Å; F294-L405 HydrophobicContact CE2-CD1 3.97Å; F294-L405 HydrophobicContact CZ-CB 4.38Å; F294-L405 HydrophobicContact CZ-CD1 3.94Å; F294-Y408 AromaticContact CE2-CD1 3.93Å; F294-Y408 HydrophobicContact CE2-CD1 3.93Å; F294-Y408 HydrophobicContact CE2-CE1 4.42Å; F294-Y408 HydrophobicContact CE2-CG 4.09Å; F294-Y408 HydrophobicContact CZ-CD1 4.17Å; F294-Y408 AromaticContact CZ-CG 3.98Å; F294-Y408 HydrophobicContact CZ-CG 3.98Å |
| 295 | A | 88 | Confident | 87.5 | Confident | 19 Ų | 19 | 47.7 Ų | 47.7 | 16% | 0.157 | 23% | 0.233 | C | C | . | . | trans | 54.3 | 33.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M291 K359 T388 | M291-A295 VanDerWaalsContact O-CA 3.28Å; M291-A295 WeakPolarHBondContact O-CA 3.31Å; M291-A295 PolarHBondContact O-N 2.88Å; M291-A295 VanDerWaalsContact O-N 3.14Å; A295-K359 HydrophobicContact CB-CB 4.31Å; A295-K359 HydrophobicContact CB-CD 4.25Å; A295-T388 WeakPolarHBondContact O-CB 3.5Å; A295-T388 WeakPolarHBondContact O-CG2 3.35Å | ||
| 296 | W | 87.2 | Confident | 87.3 | Confident | 41 Ų | 41 | 48.8 Ų | 48.8 | 16% | 0.155 | 25% | 0.246 | C | C | . | . | trans | -71.9 | 142.3 | 172.9 | -69.3 | -11 | 0 | 0 | 0 | 110.4 | F294 E300 A301 Y304 L405 | F294-W296 HydrophobicContact CB-CD2 3.89Å; F294-W296 HydrophobicContact CB-CG 3.88Å; F294-W296 HydrophobicContact CB-CZ2 4.41Å; F294-W296 HydrophobicContact CD2-CD2 4.08Å; F294-W296 HydrophobicContact CD2-CE3 4.06Å; F294-W296 HydrophobicContact CD2-CH2 4.01Å; F294-W296 AromaticContact CD2-CZ2 4Å; F294-W296 HydrophobicContact CD2-CZ2 4Å; F294-W296 HydrophobicContact CD2-CZ3 4.03Å; F294-W296 HydrophobicContact CE2-CH2 4.42Å; F294-W296 HydrophobicContact CG-CD2 4.42Å; F294-W296 HydrophobicContact CG-CZ2 4.35Å; F294-W296 PolarHBondContact O-N 3.4Å; W296-E300 HydrophobicContact CB-CB 4.21Å; W296-A301 HydrophobicContact CB-CB 4.21Å; W296-A301 HydrophobicContact CE3-CB 4.37Å; W296-Y304 AromaticContact CD2-CD2 3.81Å; W296-Y304 HydrophobicContact CD2-CD2 3.81Å; W296-Y304 HydrophobicContact CD2-CE2 4.43Å; W296-Y304 AromaticContact CE2-CD2 3.77Å; W296-Y304 AromaticContact CE3-CD2 3.87Å; W296-Y304 HydrophobicContact CE3-CD2 3.87Å; W296-Y304 HydrophobicContact CG-CD2 4.5Å; W296-Y304 AromaticContact CH2-CD2 3.86Å; W296-Y304 HydrophobicContact CH2-CD2 3.86Å; W296-Y304 HydrophobicContact CH2-CG 4.15Å; W296-Y304 AromaticContact CZ2-CD2 3.81Å; W296-Y304 HydrophobicContact CZ2-CD2 3.81Å; W296-Y304 HydrophobicContact CZ2-CE2 4.43Å; W296-Y304 HydrophobicContact CZ2-CG 4.46Å; W296-Y304 AromaticContact CZ3-CD2 3.89Å; W296-Y304 HydrophobicContact CZ3-CD2 3.89Å; W296-Y304 HydrophobicContact CZ3-CG 4.21Å; W296-L405 HydrophobicContact CH2-CD1 3.81Å; W296-L405 HydrophobicContact CZ2-CD1 3.8Å; W296-L405 HydrophobicContact CZ2-CD2 4.4Å | ||
| 297 | T | 86.9 | Confident | 87.2 | Confident | 37 Ų | 37 | 53.4 Ų | 53.4 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | trans | -64 | 160 | 168.3 | 62.1 | 0 | 0 | 0 | 0 | 110.1 | K299 E300 A301 T388 | T297-K299 PolarHBondContact O-N 3.42Å; T297-E300 WeakPolarHBondContact CB-OE2 3.44Å; T297-E300 WeakPolarHBondContact CG2-OE2 2.89Å; T297-E300 PolarHBondContact N-OE2 2.83Å; T297-E300 PolarHBondContact O-N 2.92Å; T297-E300 WeakPolarHBondContact OG1-CB 3.3Å; T297-E300 WeakPolarHBondContact OG1-CG 3.5Å; T297-E300 PolarHBondContact OG1-N 3.21Å; T297-E300 PolarHBondContact OG1-OE2 3.03Å; T297-A301 WeakPolarHBondContact O-CB 3.42Å; T297-A301 PolarHBondContact O-N 2.57Å; T297-T388 HydrophobicContact CG2-CG2 3.75Å | ||
| 298 | R | 80.5 | Confident | 87.3 | Confident | 150 Ų | 150 | 52.8 Ų | 52.8 | 57% | 0.566 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -55.7 | -39.4 | 177.9 | -173.1 | -175.8 | -58.1 | -166.4 | -3.2 | 112.1 | M291 V302 E386 | M291-R298 HydrophobicContact CE-CB 3.97Å; M291-R298 HydrophobicContact CE-CG 4.48Å; M291-R298 HydrophobicContact SD-CB 4.34Å; M291-R298 HydrophobicContact SD-CG 4.4Å; R298-V302 VanDerWaalsContact O-CG2 3.26Å; R298-V302 WeakPolarHBondContact O-CG2 3.26Å; R298-V302 PolarHBondContact O-N 2.92Å; R298-E386 VanDerWaalsContact CB-OE1 3.3Å; R298-E386 WeakPolarHBondContact CB-OE1 3.44Å; R298-E386 IonicContact NE-OE1 3.56Å |
| 299 | K | 82 | Confident | 87.2 | Confident | 171 Ų | 171 | 55.4 Ų | 55.4 | 74% | 0.743 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -66.4 | -46.5 | 179 | -66.6 | -179.8 | -177.8 | 174.3 | 0 | 111.7 | T297 L303 | T297-K299 PolarHBondContact O-N 3.42Å; K299-L303 WeakPolarHBondContact O-CB 2.99Å; K299-L303 PolarHBondContact O-N 2.84Å |
| 300 | E | 86.5 | Confident | 87 | Confident | 76 Ų | 76 | 58.5 Ų | 58.5 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 177 | -71.9 | 166.4 | 143.4 | 0 | 0 | 111.5 | W296 T297 V302 L303 Y304 | W296-E300 HydrophobicContact CB-CB 4.21Å; T297-E300 WeakPolarHBondContact CB-OE2 3.44Å; T297-E300 WeakPolarHBondContact CG2-OE2 2.89Å; T297-E300 PolarHBondContact N-OE2 2.83Å; T297-E300 PolarHBondContact O-N 2.92Å; T297-E300 WeakPolarHBondContact OG1-CB 3.3Å; T297-E300 WeakPolarHBondContact OG1-CG 3.5Å; T297-E300 PolarHBondContact OG1-N 3.21Å; T297-E300 PolarHBondContact OG1-OE2 3.03Å; E300-V302 PolarHBondContact O-N 3.18Å; E300-L303 PolarHBondContact O-N 3.29Å; E300-Y304 HydrophobicContact CB-CD2 4.12Å; E300-Y304 HydrophobicContact CB-CE2 3.88Å; E300-Y304 HydrophobicContact CG-CE2 4.29Å; E300-Y304 WeakPolarHBondContact O-CB 3.02Å; E300-Y304 VanDerWaalsContact O-CD2 3.3Å; E300-Y304 WeakPolarHBondContact O-CD2 3.46Å; E300-Y304 PolarHBondContact O-N 2.68Å |
| 301 | A | 86.1 | Confident | 87 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T287 S290 M291 W296 T297 N305 | T287-A301 HydrophobicContact CG2-CB 4.24Å; S290-A301 WeakPolarHBondContact OG-CB 3.36Å; M291-A301 HydrophobicContact CG-CB 3.49Å; M291-A301 VanDerWaalsContact CG-CB 3.49Å; M291-A301 HydrophobicContact SD-CB 4.35Å; W296-A301 HydrophobicContact CB-CB 4.21Å; W296-A301 HydrophobicContact CE3-CB 4.37Å; T297-A301 WeakPolarHBondContact O-CB 3.42Å; T297-A301 PolarHBondContact O-N 2.57Å; A301-N305 VanDerWaalsContact O-CB 3.24Å; A301-N305 WeakPolarHBondContact O-CB 3.3Å; A301-N305 PolarHBondContact O-N 2.96Å; A301-N305 PolarHBondContact O-ND2 3.43Å |
| 302 | V | 84.4 | Confident | 87.1 | Confident | 88 Ų | 88 | 59.6 Ų | 59.6 | 53% | 0.533 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 175.8 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | T287 R298 E300 G306 | T287-V302 HydrophobicContact CG2-CG2 4.24Å; R298-V302 VanDerWaalsContact O-CG2 3.26Å; R298-V302 WeakPolarHBondContact O-CG2 3.26Å; R298-V302 PolarHBondContact O-N 2.92Å; E300-V302 PolarHBondContact O-N 3.18Å; V302-G306 PolarHBondContact O-N 3.42Å |
| 303 | L | 85.6 | Confident | 87.2 | Confident | 98 Ų | 98 | 59.2 Ų | 59.2 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.2 | -50.4 | -179.1 | -176.5 | 141.8 | 0 | 0 | 0 | 112.2 | K299 E300 G306 I307 | K299-L303 WeakPolarHBondContact O-CB 2.99Å; K299-L303 PolarHBondContact O-N 2.84Å; E300-L303 PolarHBondContact O-N 3.29Å; L303-G306 PolarHBondContact O-N 2.89Å; L303-I307 HydrophobicContact CD2-CD1 3.68Å; L303-I307 HydrophobicContact CG-CD1 4.38Å; L303-I307 WeakPolarHBondContact O-CG1 3.46Å; L303-I307 PolarHBondContact O-N 3.44Å |
| 304 | Y | 88.2 | Confident | 87.1 | Confident | 97 Ų | 97 | 65 Ų | 65 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.2 | -44.3 | -178.2 | -65.6 | -39.4 | 0 | 0 | 0 | 112.1 | W296 E300 G306 I307 I308 | W296-Y304 AromaticContact CD2-CD2 3.81Å; W296-Y304 HydrophobicContact CD2-CD2 3.81Å; W296-Y304 HydrophobicContact CD2-CE2 4.43Å; W296-Y304 AromaticContact CE2-CD2 3.77Å; W296-Y304 AromaticContact CE3-CD2 3.87Å; W296-Y304 HydrophobicContact CE3-CD2 3.87Å; W296-Y304 HydrophobicContact CG-CD2 4.5Å; W296-Y304 AromaticContact CH2-CD2 3.86Å; W296-Y304 HydrophobicContact CH2-CD2 3.86Å; W296-Y304 HydrophobicContact CH2-CG 4.15Å; W296-Y304 AromaticContact CZ2-CD2 3.81Å; W296-Y304 HydrophobicContact CZ2-CD2 3.81Å; W296-Y304 HydrophobicContact CZ2-CE2 4.43Å; W296-Y304 HydrophobicContact CZ2-CG 4.46Å; W296-Y304 AromaticContact CZ3-CD2 3.89Å; W296-Y304 HydrophobicContact CZ3-CD2 3.89Å; W296-Y304 HydrophobicContact CZ3-CG 4.21Å; E300-Y304 HydrophobicContact CB-CD2 4.12Å; E300-Y304 HydrophobicContact CB-CE2 3.88Å; E300-Y304 HydrophobicContact CG-CE2 4.29Å; E300-Y304 WeakPolarHBondContact O-CB 3.02Å; E300-Y304 VanDerWaalsContact O-CD2 3.3Å; E300-Y304 WeakPolarHBondContact O-CD2 3.46Å; E300-Y304 PolarHBondContact O-N 2.68Å; Y304-G306 VanDerWaalsContact C-N 3.25Å; Y304-G306 PolarHBondContact O-N 2.97Å; Y304-I307 PolarHBondContact O-N 3.34Å; Y304-I308 WeakPolarHBondContact O-CB 3.42Å; Y304-I308 VanDerWaalsContact O-CG1 3.26Å; Y304-I308 WeakPolarHBondContact O-CG1 3.48Å; Y304-I308 PolarHBondContact O-N 2.83Å |
| 305 | N | 89.1 | Confident | 87.3 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.027 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.3 | -33.5 | 173.9 | -70.3 | -51.1 | 0 | 0 | 0 | 111.7 | A286 S290 A301 I308 M309 Y408 | A286-N305 PolarHBondContact O-ND2 2.94Å; S290-N305 PolarHBondContact OG-ND2 3.02Å; A301-N305 VanDerWaalsContact O-CB 3.24Å; A301-N305 WeakPolarHBondContact O-CB 3.3Å; A301-N305 PolarHBondContact O-N 2.96Å; A301-N305 PolarHBondContact O-ND2 3.43Å; N305-I308 PolarHBondContact O-N 2.95Å; N305-M309 WeakPolarHBondContact O-CB 3.45Å; N305-M309 WeakPolarHBondContact O-CG 3.31Å; N305-M309 PolarHBondContact O-N 3.16Å; N305-Y408 PolarHBondContact OD1-OH 3.19Å |
| 306 | G | 85 | Confident | 87.5 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V302 L303 Y304 M309 V310 | V302-G306 PolarHBondContact O-N 3.42Å; L303-G306 PolarHBondContact O-N 2.89Å; Y304-G306 VanDerWaalsContact C-N 3.25Å; Y304-G306 PolarHBondContact O-N 2.97Å; G306-M309 PolarHBondContact O-N 3.35Å; G306-V310 WeakPolarHBondContact O-CG2 3.2Å; G306-V310 PolarHBondContact O-N 2.86Å |
| 307 | I | 88.3 | Confident | 87.6 | Confident | 105 Ų | 105 | 63.8 Ų | 63.8 | 54% | 0.538 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 176.1 | -67.3 | 167.3 | 0 | 0 | 0 | 110.9 | L303 Y304 V310 G311 | L303-I307 HydrophobicContact CD2-CD1 3.68Å; L303-I307 HydrophobicContact CG-CD1 4.38Å; L303-I307 WeakPolarHBondContact O-CG1 3.46Å; L303-I307 PolarHBondContact O-N 3.44Å; Y304-I307 PolarHBondContact O-N 3.34Å; I307-V310 PolarHBondContact O-N 3.4Å; I307-G311 PolarHBondContact O-N 2.97Å |
| 308 | I | 90.5 | Very high | 87.8 | Confident | 34 Ų | 34 | 67.1 Ų | 67.1 | 17% | 0.174 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.2 | -50.5 | 177.8 | -70.3 | 168.9 | 0 | 0 | 0 | 110.3 | Y304 N305 V310 G311 I312 Y408 D412 | Y304-I308 WeakPolarHBondContact O-CB 3.42Å; Y304-I308 VanDerWaalsContact O-CG1 3.26Å; Y304-I308 WeakPolarHBondContact O-CG1 3.48Å; Y304-I308 PolarHBondContact O-N 2.83Å; N305-I308 PolarHBondContact O-N 2.95Å; I308-V310 VanDerWaalsContact C-N 3.3Å; I308-V310 PolarHBondContact O-N 3.4Å; I308-G311 WeakPolarHBondContact O-CA 3.46Å; I308-G311 PolarHBondContact O-N 3.45Å; I308-I312 HydrophobicContact CG2-CD1 4.21Å; I308-I312 HydrophobicContact CG2-CG1 4.47Å; I308-I312 WeakPolarHBondContact O-CG1 3.35Å; I308-I312 PolarHBondContact O-N 3.03Å; I308-Y408 HydrophobicContact CD1-CD1 4.47Å; I308-Y408 HydrophobicContact CD1-CE1 3.95Å; I308-D412 WeakPolarHBondContact CG2-OD2 3.24Å |
| 309 | M | 86 | Confident | 88.4 | Confident | 103 Ų | 103 | 60.4 Ų | 60.4 | 51% | 0.507 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.6 | -35.9 | 178 | -78.5 | -150.2 | -72.9 | 0 | 0 | 113.4 | N305 G306 I312 G313 | N305-M309 WeakPolarHBondContact O-CB 3.45Å; N305-M309 WeakPolarHBondContact O-CG 3.31Å; N305-M309 PolarHBondContact O-N 3.16Å; G306-M309 PolarHBondContact O-N 3.35Å; M309-I312 PolarHBondContact O-N 3.38Å; M309-G313 PolarHBondContact O-N 2.81Å |
| 310 | V | 86.9 | Confident | 88.8 | Confident | 67 Ų | 67 | 52.8 Ų | 52.8 | 41% | 0.406 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 172.9 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | G306 I307 I308 G313 F314 | G306-V310 WeakPolarHBondContact O-CG2 3.2Å; G306-V310 PolarHBondContact O-N 2.86Å; I307-V310 PolarHBondContact O-N 3.4Å; I308-V310 VanDerWaalsContact C-N 3.3Å; I308-V310 PolarHBondContact O-N 3.4Å; V310-G313 WeakPolarHBondContact O-CA 3.32Å; V310-G313 PolarHBondContact O-N 3.32Å; V310-G313 VanDerWaalsContact O-N 3.15Å; V310-F314 HydrophobicContact CG1-CD2 3.89Å; V310-F314 HydrophobicContact CG1-CE2 3.55Å; V310-F314 WeakPolarHBondContact O-CD2 3.32Å; V310-F314 PolarHBondContact O-N 3.48Å |
| 311 | G | 90.1 | Very high | 88.9 | Confident | 38 Ų | 38 | 55 Ų | 55 | 39% | 0.392 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.7 | -50.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I307 I308 G313 F314 Q315 | I307-G311 PolarHBondContact O-N 2.97Å; I308-G311 WeakPolarHBondContact O-CA 3.46Å; I308-G311 PolarHBondContact O-N 3.45Å; G311-G313 PolarHBondContact O-N 3.25Å; G311-F314 PolarHBondContact O-N 3.31Å; G311-Q315 WeakPolarHBondContact O-CB 3.26Å; G311-Q315 PolarHBondContact O-N 3.3Å |
| 312 | I | 90.4 | Very high | 89.2 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 13% | 0.128 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.5 | -37.1 | 173.9 | -57.3 | 165.9 | 0 | 0 | 0 | 111.1 | I308 M309 Q315 S316 D412 | I308-I312 HydrophobicContact CG2-CD1 4.21Å; I308-I312 HydrophobicContact CG2-CG1 4.47Å; I308-I312 WeakPolarHBondContact O-CG1 3.35Å; I308-I312 PolarHBondContact O-N 3.03Å; M309-I312 PolarHBondContact O-N 3.38Å; I312-Q315 CarbonylContact O-C 3.58Å; I312-Q315 WeakPolarHBondContact O-CB 3.22Å; I312-Q315 PolarHBondContact O-N 2.84Å; I312-S316 WeakPolarHBondContact O-CB 3.48Å; I312-S316 PolarHBondContact O-N 2.89Å; I312-S316 PolarHBondContact O-OG 3.23Å; I312-D412 WeakPolarHBondContact CD1-OD1 3.43Å; I312-D412 WeakPolarHBondContact CD1-OD2 3.4Å; I312-D412 WeakPolarHBondContact CG1-OD2 3.31Å |
| 313 | G | 88.4 | Confident | 89.5 | Confident | 8 Ų | 8 | 56 Ų | 56 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M309 V310 G311 S316 I317 | M309-G313 PolarHBondContact O-N 2.81Å; V310-G313 WeakPolarHBondContact O-CA 3.32Å; V310-G313 PolarHBondContact O-N 3.32Å; V310-G313 VanDerWaalsContact O-N 3.15Å; G311-G313 PolarHBondContact O-N 3.25Å; G313-S316 PolarHBondContact O-N 3.36Å; G313-I317 WeakPolarHBondContact O-CG1 3.49Å; G313-I317 PolarHBondContact O-N 3.45Å |
| 314 | F | 89.7 | Confident | 89.6 | Confident | 134 Ų | 134 | 56.5 Ų | 56.5 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.9 | -41.7 | 174 | -75.1 | -67.2 | 0 | 0 | 0 | 112.4 | V310 G311 S316 I317 L318 | V310-F314 HydrophobicContact CG1-CD2 3.89Å; V310-F314 HydrophobicContact CG1-CE2 3.55Å; V310-F314 WeakPolarHBondContact O-CD2 3.32Å; V310-F314 PolarHBondContact O-N 3.48Å; G311-F314 PolarHBondContact O-N 3.31Å; F314-S316 VanDerWaalsContact C-N 3.33Å; F314-S316 PolarHBondContact O-N 3.48Å; F314-I317 WeakPolarHBondContact O-CB 3.31Å; F314-I317 PolarHBondContact O-N 2.9Å; F314-L318 PolarHBondContact O-N 3.37Å |
| 315 | Q | 93.8 | Very high | 89.7 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 15% | 0.145 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 174.4 | 178.9 | -169.2 | -28.9 | 0 | 0 | 111.9 | G311 I312 I317 L318 V319 F413 G416 | G311-Q315 WeakPolarHBondContact O-CB 3.26Å; G311-Q315 PolarHBondContact O-N 3.3Å; I312-Q315 CarbonylContact O-C 3.58Å; I312-Q315 WeakPolarHBondContact O-CB 3.22Å; I312-Q315 PolarHBondContact O-N 2.84Å; Q315-I317 VanDerWaalsContact C-N 3.28Å; Q315-I317 PolarHBondContact O-N 3.44Å; Q315-L318 WeakPolarHBondContact O-CB 3.46Å; Q315-L318 PolarHBondContact O-N 3.21Å; Q315-L318 VanDerWaalsContact O-N 3.11Å; Q315-V319 HydrophobicContact CG-CG2 4.48Å; Q315-V319 VanDerWaalsContact O-CG2 3.3Å; Q315-V319 WeakPolarHBondContact O-CG2 3.45Å; Q315-V319 PolarHBondContact O-N 2.98Å; Q315-F413 VanDerWaalsContact CD-CD2 3.49Å; Q315-F413 HydrophobicContact CG-CE2 4.2Å; Q315-F413 PolarHBondContact NE2-O 3.49Å; Q315-G416 VanDerWaalsContact NE2-C 3.31Å |
| 316 | S | 91.5 | Very high | 89.9 | Confident | 13 Ų | 13 | 56 Ų | 56 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 179.7 | -63.2 | 0 | 0 | 0 | 0 | 111.5 | I312 G313 F314 V319 F320 P420 | I312-S316 WeakPolarHBondContact O-CB 3.48Å; I312-S316 PolarHBondContact O-N 2.89Å; I312-S316 PolarHBondContact O-OG 3.23Å; G313-S316 PolarHBondContact O-N 3.36Å; F314-S316 VanDerWaalsContact C-N 3.33Å; F314-S316 PolarHBondContact O-N 3.48Å; S316-V319 PolarHBondContact O-N 3.41Å; S316-F320 WeakPolarHBondContact O-CD2 3.22Å; S316-F320 VanDerWaalsContact O-CG 3.31Å; S316-F320 WeakPolarHBondContact O-CG 3.45Å; S316-F320 PolarHBondContact O-N 2.88Å; S316-P420 VanDerWaalsContact OG-CG 3.28Å; S316-P420 WeakPolarHBondContact OG-CG 3.35Å |
| 317 | I | 88.9 | Confident | 90.2 | Very high | 30 Ų | 30 | 54.9 Ų | 54.9 | 15% | 0.154 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 174.5 | -65.6 | 162.9 | 0 | 0 | 0 | 110.6 | L173 I176 G313 F314 Q315 V319 F320 F321 | L173-I317 HydrophobicContact CD2-CD1 3.42Å; L173-I317 VanDerWaalsContact CD2-CD1 3.42Å; L173-I317 HydrophobicContact CD2-CG1 4.43Å; L173-I317 HydrophobicContact CG-CD1 3.86Å; L173-I317 HydrophobicContact CG-CG1 4.39Å; I176-I317 HydrophobicContact CD1-CD1 4.36Å; G313-I317 WeakPolarHBondContact O-CG1 3.49Å; G313-I317 PolarHBondContact O-N 3.45Å; F314-I317 WeakPolarHBondContact O-CB 3.31Å; F314-I317 PolarHBondContact O-N 2.9Å; Q315-I317 VanDerWaalsContact C-N 3.28Å; Q315-I317 PolarHBondContact O-N 3.44Å; I317-V319 VanDerWaalsContact C-N 3.33Å; I317-V319 PolarHBondContact O-N 3.24Å; I317-F320 PolarHBondContact O-N 3Å; I317-F321 HydrophobicContact CG2-CD2 4.36Å; I317-F321 HydrophobicContact CG2-CE2 3.78Å; I317-F321 WeakPolarHBondContact O-CD2 3.23Å; I317-F321 PolarHBondContact O-N 3.28Å |
| 318 | L | 91.9 | Very high | 90.2 | Very high | 107 Ų | 107 | 54.9 Ų | 54.9 | 56% | 0.56 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61 | -43 | 175.3 | -178.5 | 64.3 | 0 | 0 | 0 | 111.4 | F314 Q315 F320 F321 L322 | F314-L318 PolarHBondContact O-N 3.37Å; Q315-L318 WeakPolarHBondContact O-CB 3.46Å; Q315-L318 PolarHBondContact O-N 3.21Å; Q315-L318 VanDerWaalsContact O-N 3.11Å; L318-F320 VanDerWaalsContact C-N 3.33Å; L318-F320 PolarHBondContact O-N 3.34Å; L318-F321 PolarHBondContact O-N 3.04Å; L318-L322 HydrophobicContact CG-CD1 4.27Å; L318-L322 WeakPolarHBondContact O-CG 3.44Å; L318-L322 PolarHBondContact O-N 3.28Å; L318-L322 VanDerWaalsContact O-N 3.09Å |
| 319 | V | 93.9 | Very high | 90.2 | Very high | 9 Ų | 9 | 62.9 Ų | 62.9 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 178.4 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | Q315 S316 I317 F321 L322 V323 V417 P420 A421 | Q315-V319 HydrophobicContact CG-CG2 4.48Å; Q315-V319 VanDerWaalsContact O-CG2 3.3Å; Q315-V319 WeakPolarHBondContact O-CG2 3.45Å; Q315-V319 PolarHBondContact O-N 2.98Å; S316-V319 PolarHBondContact O-N 3.41Å; I317-V319 VanDerWaalsContact C-N 3.33Å; I317-V319 PolarHBondContact O-N 3.24Å; V319-F321 VanDerWaalsContact C-N 3.27Å; V319-F321 PolarHBondContact O-N 3.37Å; V319-L322 PolarHBondContact O-N 3.34Å; V319-L322 VanDerWaalsContact O-N 3.11Å; V319-V323 HydrophobicContact CG1-CG2 3.89Å; V319-V323 WeakPolarHBondContact O-CB 3.32Å; V319-V323 WeakPolarHBondContact O-CG2 3.37Å; V319-V323 PolarHBondContact O-N 3.02Å; V319-V417 WeakPolarHBondContact CG1-O 3.38Å; V319-V417 HydrophobicContact CG2-CB 4.43Å; V319-V417 HydrophobicContact CG2-CG1 4.22Å; V319-V417 HydrophobicContact CG2-CG2 4.41Å; V319-P420 HydrophobicContact CB-CB 4.32Å; V319-P420 HydrophobicContact CG1-CB 3.96Å; V319-A421 HydrophobicContact CG1-CB 4.3Å |
| 320 | F | 89.7 | Confident | 90.4 | Very high | 10 Ų | 10 | 64.1 Ų | 64.1 | 4% | 0.044 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.8 | -36.4 | 176.9 | -64.2 | -45.1 | 0 | 0 | 0 | 113 | A169 A172 S316 I317 L318 K324 P420 V424 | A169-F320 VanDerWaalsContact CA-CD2 3.46Å; A169-F320 HydrophobicContact CB-CB 4.3Å; A169-F320 HydrophobicContact CB-CD2 3.6Å; A169-F320 HydrophobicContact CB-CE2 4.29Å; A169-F320 HydrophobicContact CB-CG 4.24Å; A172-F320 HydrophobicContact CB-CE2 3.68Å; A172-F320 HydrophobicContact CB-CZ 4.21Å; S316-F320 WeakPolarHBondContact O-CD2 3.22Å; S316-F320 VanDerWaalsContact O-CG 3.31Å; S316-F320 WeakPolarHBondContact O-CG 3.45Å; S316-F320 PolarHBondContact O-N 2.88Å; I317-F320 PolarHBondContact O-N 3Å; L318-F320 VanDerWaalsContact C-N 3.33Å; L318-F320 PolarHBondContact O-N 3.34Å; F320-K324 PolarHBondContact O-N 3.44Å; F320-P420 HydrophobicContact CD1-CB 3.97Å; F320-P420 HydrophobicContact CE1-CB 3.41Å; F320-P420 VanDerWaalsContact CE1-CB 3.41Å; F320-P420 HydrophobicContact CZ-CB 3.81Å; F320-V424 HydrophobicContact CD1-CG2 3.41Å; F320-V424 VanDerWaalsContact CD1-CG2 3.41Å; F320-V424 HydrophobicContact CE1-CG2 3.45Å; F320-V424 VanDerWaalsContact CE1-CG2 3.45Å |
| 321 | F | 87.8 | Confident | 90.6 | Very high | 122 Ų | 122 | 62.1 Ų | 62.1 | 54% | 0.535 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.1 | -41.7 | 173.3 | -67.8 | -68.4 | 0 | 0 | 0 | 112.2 | I317 L318 V319 K324 A325 | I317-F321 HydrophobicContact CG2-CD2 4.36Å; I317-F321 HydrophobicContact CG2-CE2 3.78Å; I317-F321 WeakPolarHBondContact O-CD2 3.23Å; I317-F321 PolarHBondContact O-N 3.28Å; L318-F321 PolarHBondContact O-N 3.04Å; V319-F321 VanDerWaalsContact C-N 3.27Å; V319-F321 PolarHBondContact O-N 3.37Å; F321-K324 WeakPolarHBondContact O-CB 3.43Å; F321-K324 PolarHBondContact O-N 3.5Å; F321-A325 PolarHBondContact O-N 2.8Å |
| 322 | L | 92.1 | Very high | 90.6 | Very high | 103 Ų | 103 | 61.1 Ų | 61.1 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 177.8 | -68.1 | 174.2 | 0 | 0 | 0 | 112.1 | L318 V319 K324 A325 A326 | L318-L322 HydrophobicContact CG-CD1 4.27Å; L318-L322 WeakPolarHBondContact O-CG 3.44Å; L318-L322 PolarHBondContact O-N 3.28Å; L318-L322 VanDerWaalsContact O-N 3.09Å; V319-L322 PolarHBondContact O-N 3.34Å; V319-L322 VanDerWaalsContact O-N 3.11Å; L322-K324 VanDerWaalsContact C-N 3.28Å; L322-K324 PolarHBondContact O-N 3.06Å; L322-A325 PolarHBondContact O-N 3.38Å; L322-A325 VanDerWaalsContact O-N 3.13Å; L322-A326 WeakPolarHBondContact O-CB 3.42Å; L322-A326 PolarHBondContact O-N 3.37Å |
| 323 | V | 91.8 | Very high | 90.8 | Very high | 6 Ų | 6 | 61.1 Ų | 61.1 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.8 | -39.2 | 178.3 | 166.1 | 0 | 0 | 0 | 0 | 111 | V319 A325 A326 A327 V335 A421 V424 M425 | V319-V323 HydrophobicContact CG1-CG2 3.89Å; V319-V323 WeakPolarHBondContact O-CB 3.32Å; V319-V323 WeakPolarHBondContact O-CG2 3.37Å; V319-V323 PolarHBondContact O-N 3.02Å; V323-A325 PolarHBondContact O-N 3.03Å; V323-A326 PolarHBondContact O-N 3.5Å; V323-A327 WeakPolarHBondContact O-CB 3.5Å; V323-A327 PolarHBondContact O-N 3.43Å; V323-V335 HydrophobicContact CG1-CG1 4.41Å; V323-A421 HydrophobicContact CG2-CB 3.7Å; V323-V424 HydrophobicContact CG1-CB 4.37Å; V323-V424 HydrophobicContact CG1-CG1 4.14Å; V323-M425 HydrophobicContact CG1-CE 3.22Å; V323-M425 HydrophobicContact CG1-CG 4.41Å; V323-M425 HydrophobicContact CG1-SD 4.1Å |
| 324 | K | 87.3 | Confident | 91.1 | Very high | 110 Ų | 110 | 63 Ų | 63 | 48% | 0.478 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 175 | -177.5 | -175.5 | 176 | -174.7 | 0 | 111.6 | F320 F321 L322 S328 | F320-K324 PolarHBondContact O-N 3.44Å; F321-K324 WeakPolarHBondContact O-CB 3.43Å; F321-K324 PolarHBondContact O-N 3.5Å; L322-K324 VanDerWaalsContact C-N 3.28Å; L322-K324 PolarHBondContact O-N 3.06Å; K324-S328 PolarHBondContact O-N 3.32Å; K324-S328 PolarHBondContact O-OG 2.99Å |
| 325 | A | 90.1 | Very high | 91.4 | Very high | 59 Ų | 59 | 57.4 Ų | 57.4 | 49% | 0.488 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.4 | -45.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F321 L322 V323 S328 R329 | F321-A325 PolarHBondContact O-N 2.8Å; L322-A325 PolarHBondContact O-N 3.38Å; L322-A325 VanDerWaalsContact O-N 3.13Å; V323-A325 PolarHBondContact O-N 3.03Å; A325-S328 PolarHBondContact O-N 3.43Å; A325-S328 PolarHBondContact O-OG 3.23Å; A325-R329 PolarHBondContact O-N 2.9Å |
| 326 | A | 93.3 | Very high | 91.5 | Very high | 31 Ų | 31 | 56 Ų | 56 | 26% | 0.256 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L322 V323 S328 R329 F330 V335 | L322-A326 WeakPolarHBondContact O-CB 3.42Å; L322-A326 PolarHBondContact O-N 3.37Å; V323-A326 PolarHBondContact O-N 3.5Å; A326-S328 VanDerWaalsContact C-N 3.31Å; A326-S328 PolarHBondContact O-N 2.94Å; A326-R329 PolarHBondContact O-N 3.28Å; A326-R329 VanDerWaalsContact O-N 3.12Å; A326-F330 WeakPolarHBondContact O-CD2 3.45Å; A326-F330 PolarHBondContact O-N 2.89Å; A326-V335 HydrophobicContact CB-CG2 3.89Å |
| 327 | A | 91.1 | Very high | 91.7 | Very high | 7 Ų | 7 | 57.8 Ų | 57.8 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.6 | -34.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T161 V323 R329 G331 V335 M425 | T161-A327 HydrophobicContact CG2-CB 3.66Å; V323-A327 WeakPolarHBondContact O-CB 3.5Å; V323-A327 PolarHBondContact O-N 3.43Å; A327-R329 VanDerWaalsContact C-N 3.27Å; A327-R329 PolarHBondContact O-N 3.5Å; A327-G331 CarbonylContact O-C 3.56Å; A327-G331 WeakPolarHBondContact O-CA 3.41Å; A327-G331 PolarHBondContact O-N 3.34Å; A327-V335 HydrophobicContact CB-CG2 4.43Å; A327-M425 HydrophobicContact CB-CE 4.21Å; A327-M425 HydrophobicContact CB-SD 4.01Å |
| 328 | S | 88.3 | Confident | 92.1 | Very high | 105 Ų | 105 | 58.9 Ų | 58.9 | 73% | 0.734 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.6 | -24.5 | 174.6 | 71.8 | 0 | 0 | 0 | 0 | 113.8 | K324 A325 A326 | K324-S328 PolarHBondContact O-N 3.32Å; K324-S328 PolarHBondContact O-OG 2.99Å; A325-S328 PolarHBondContact O-N 3.43Å; A325-S328 PolarHBondContact O-OG 3.23Å; A326-S328 VanDerWaalsContact C-N 3.31Å; A326-S328 PolarHBondContact O-N 2.94Å |
| 329 | R | 90.8 | Very high | 92.3 | Very high | 202 Ų | 202 | 53.8 Ų | 53.8 | 76% | 0.762 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -98.1 | -38.4 | -176.3 | -173.2 | 174.4 | -176.1 | 173 | 1.4 | 113.4 | A325 A326 A327 | A325-R329 PolarHBondContact O-N 2.9Å; A326-R329 PolarHBondContact O-N 3.28Å; A326-R329 VanDerWaalsContact O-N 3.12Å; A327-R329 VanDerWaalsContact C-N 3.27Å; A327-R329 PolarHBondContact O-N 3.5Å |
| 330 | F | 91.4 | Very high | 92.5 | Very high | 130 Ų | 130 | 53.4 Ų | 53.4 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -113.3 | -6.6 | -173.4 | -58.1 | -70 | 0 | 0 | 0 | 113.2 | A326 P334 | A326-F330 WeakPolarHBondContact O-CD2 3.45Å; A326-F330 PolarHBondContact O-N 2.89Å; F330-P334 WeakPolarHBondContact O-CD 3.46Å; F330-P334 VanDerWaalsContact O-CG 3.24Å; F330-P334 WeakPolarHBondContact O-CG 3.34Å |
| 331 | G | 90.6 | Very high | 92.9 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 25% | 0.247 | 30% | 0.301 | C | S | . | . | trans | 82.7 | 167.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A327 V335 | A327-G331 CarbonylContact O-C 3.56Å; A327-G331 WeakPolarHBondContact O-CA 3.41Å; A327-G331 PolarHBondContact O-N 3.34Å; G331-V335 VanDerWaalsContact O-CG2 3.29Å; G331-V335 WeakPolarHBondContact O-CG2 3.36Å | ||
| 332 | D | 91.1 | Very high | 93.3 | Very high | 17 Ų | 17 | 51.1 Ų | 51.1 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -74.6 | -34.5 | -174.5 | -53.1 | -45.1 | 0 | 0 | 0 | 112.6 | T161 V335 L336 M425 L429 K432 | T161-D332 PolarHBondContact OG1-OD1 3.41Å; D332-V335 PolarHBondContact O-N 3.05Å; D332-L336 PolarHBondContact O-N 3.25Å; D332-M425 HydrophobicContact CB-SD 4Å; D332-L429 HydrophobicContact CB-CD1 4.37Å; D332-K432 IonicContact OD1-NZ 2.66Å; D332-K432 PolarHBondContact OD1-NZ 3.08Å; D332-K432 WeakPolarHBondContact OD2-CD 3.08Å; D332-K432 VanDerWaalsContact OD2-CE 3.3Å; D332-K432 WeakPolarHBondContact OD2-CE 3.45Å; D332-K432 IonicContact OD2-NZ 3.66Å; D332-K432 PolarHBondContact OD2-NZ 3.43Å |
| 333 | R | 93.3 | Very high | 93.6 | Very high | 26 Ų | 26 | 46.3 Ų | 46.3 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -48.8 | -175.7 | -60.7 | 175 | -78.9 | -178.6 | -0.5 | 112.9 | V335 L336 L337 L429 Y492 L495 E507 | R333-V335 VanDerWaalsContact C-N 3.3Å; R333-V335 PolarHBondContact O-N 3.44Å; R333-L336 PolarHBondContact O-N 3.4Å; R333-L337 PolarHBondContact O-N 3.45Å; R333-L429 HydrophobicContact CG-CD1 4.13Å; R333-Y492 HydrophobicContact CB-CD2 4.33Å; R333-Y492 HydrophobicContact CB-CE2 3.57Å; R333-Y492 WeakPolarHBondContact CD-O 3.33Å; R333-Y492 HydrophobicContact CG-CE2 4.44Å; R333-Y492 PolarHBondContact NH1-O 3.21Å; R333-L495 VanDerWaalsContact CD-O 3.23Å; R333-L495 WeakPolarHBondContact CD-O 3.41Å; R333-L495 HydrophobicContact CG-CB 4.4Å; R333-L495 WeakPolarHBondContact CG-O 3.2Å; R333-E507 IonicContact CZ-OE1 3.45Å; R333-E507 IonicContact CZ-OE2 3.9Å; R333-E507 IonicContact NE-OE1 3.47Å; R333-E507 IonicContact NH2-OE1 3.4Å; R333-E507 PolarHBondContact NH2-OE1 3.39Å; R333-E507 IonicContact NH2-OE2 3.78Å; R333-E507 PolarHBondContact NH2-OE2 3.27Å |
| 334 | P | 94.8 | Very high | 93.8 | Very high | 47 Ų | 47 | 49 Ų | 49 | 31% | 0.305 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.6 | -34.3 | 177.1 | -25.8 | 39.1 | 0 | 0 | 0 | 113 | F330 L337 A338 Y492 | F330-P334 WeakPolarHBondContact O-CD 3.46Å; F330-P334 VanDerWaalsContact O-CG 3.24Å; F330-P334 WeakPolarHBondContact O-CG 3.34Å; P334-L337 PolarHBondContact O-N 3.3Å; P334-A338 WeakPolarHBondContact O-CB 3.37Å; P334-A338 PolarHBondContact O-N 3.24Å; P334-Y492 WeakPolarHBondContact CG-OH 3.36Å |
| 335 | V | 95.9 | Very high | 94.3 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 177.1 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | V323 A326 A327 G331 D332 R333 A338 G339 M425 | V323-V335 HydrophobicContact CG1-CG1 4.41Å; A326-V335 HydrophobicContact CB-CG2 3.89Å; A327-V335 HydrophobicContact CB-CG2 4.43Å; G331-V335 VanDerWaalsContact O-CG2 3.29Å; G331-V335 WeakPolarHBondContact O-CG2 3.36Å; D332-V335 PolarHBondContact O-N 3.05Å; R333-V335 VanDerWaalsContact C-N 3.3Å; R333-V335 PolarHBondContact O-N 3.44Å; V335-A338 PolarHBondContact O-N 3.43Å; V335-G339 PolarHBondContact O-N 3.36Å; V335-M425 HydrophobicContact CB-CG 4.06Å; V335-M425 HydrophobicContact CB-SD 3.92Å; V335-M425 HydrophobicContact CG1-CG 3.68Å; V335-M425 HydrophobicContact CG1-SD 3.8Å |
| 336 | L | 95.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 173.1 | -178.2 | 58.5 | 0 | 0 | 0 | 111.7 | L271 D332 R333 G339 F340 C422 M425 L429 L488 | L271-L336 HydrophobicContact CD1-CD2 4.33Å; D332-L336 PolarHBondContact O-N 3.25Å; R333-L336 PolarHBondContact O-N 3.4Å; L336-G339 PolarHBondContact O-N 3.15Å; L336-F340 HydrophobicContact CD1-CD2 4.1Å; L336-F340 HydrophobicContact CD1-CE2 3.81Å; L336-F340 HydrophobicContact CG-CD2 4.19Å; L336-F340 HydrophobicContact CG-CE2 4.08Å; L336-F340 WeakPolarHBondContact O-CD2 3.32Å; L336-F340 PolarHBondContact O-N 3.03Å; L336-F340 VanDerWaalsContact O-N 3.08Å; L336-C422 HydrophobicContact CD1-CB 4.08Å; L336-M425 HydrophobicContact CB-CB 3.88Å; L336-M425 HydrophobicContact CB-CG 4.41Å; L336-M425 HydrophobicContact CD1-CB 4.03Å; L336-M425 HydrophobicContact CG-CB 4.44Å; L336-L429 HydrophobicContact CD2-CD2 3.85Å; L336-L488 HydrophobicContact CB-CD2 4.49Å; L336-L488 HydrophobicContact CD2-CD1 4Å; L336-L488 HydrophobicContact CD2-CD2 4.31Å; L336-L488 HydrophobicContact CG-CD2 4.04Å |
| 337 | L | 96.8 | Very high | 94.7 | Very high | 51 Ų | 51 | 42.6 Ų | 42.6 | 27% | 0.267 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.7 | -44.2 | 177.8 | -177.3 | 65 | 0 | 0 | 0 | 111.8 | R333 P334 G339 F340 G341 V485 L488 L489 | R333-L337 PolarHBondContact O-N 3.45Å; P334-L337 PolarHBondContact O-N 3.3Å; L337-G339 VanDerWaalsContact C-N 3.32Å; L337-G339 PolarHBondContact O-N 2.85Å; L337-F340 PolarHBondContact O-N 3.17Å; L337-G341 PolarHBondContact O-N 2.93Å; L337-V485 HydrophobicContact CD1-CG1 3.9Å; L337-L488 HydrophobicContact CB-CD2 3.8Å; L337-L488 HydrophobicContact CD1-CD2 3.84Å; L337-L488 HydrophobicContact CG-CD2 4.43Å; L337-L489 HydrophobicContact CD1-CD2 4.24Å; L337-L489 HydrophobicContact CD1-CG 4.36Å; L337-L489 HydrophobicContact CD2-CD2 3.98Å |
| 338 | A | 96.9 | Very high | 94.9 | Very high | 53 Ų | 53 | 45.2 Ų | 45.2 | 44% | 0.438 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P334 V335 F340 G341 I342 | P334-A338 WeakPolarHBondContact O-CB 3.37Å; P334-A338 PolarHBondContact O-N 3.24Å; V335-A338 PolarHBondContact O-N 3.43Å; A338-F340 PolarHBondContact O-N 3.08Å; A338-G341 PolarHBondContact O-N 3.37Å; A338-I342 VanDerWaalsContact O-CG1 3.29Å; A338-I342 WeakPolarHBondContact O-CG1 3.49Å; A338-I342 PolarHBondContact O-N 2.98Å |
| 339 | G | 96.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.9 | -47.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V335 L336 L337 G341 I342 I343 C422 | V335-G339 PolarHBondContact O-N 3.36Å; L336-G339 PolarHBondContact O-N 3.15Å; L337-G339 VanDerWaalsContact C-N 3.32Å; L337-G339 PolarHBondContact O-N 2.85Å; G339-G341 VanDerWaalsContact C-N 3.33Å; G339-G341 PolarHBondContact O-N 3.09Å; G339-I342 PolarHBondContact O-N 2.91Å; G339-I343 WeakPolarHBondContact O-CG1 3.34Å; G339-I343 PolarHBondContact O-N 3.04Å; G339-C422 VanDerWaalsContact CA-SG 3.55Å |
| 340 | F | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 175 | -85.8 | -69.8 | 0 | 0 | 0 | 112.3 | L271 I274 V275 L336 L337 A338 I343 F344 C422 V481 V485 L488 | L271-F340 HydrophobicContact CB-CE2 4.48Å; L271-F340 HydrophobicContact CB-CZ 4.27Å; L271-F340 HydrophobicContact CD2-CE2 4.05Å; L271-F340 HydrophobicContact CD2-CZ 3.96Å; I274-F340 HydrophobicContact CG2-CE1 4.13Å; V275-F340 HydrophobicContact CG2-CE1 3.74Å; V275-F340 HydrophobicContact CG2-CE2 4.28Å; V275-F340 HydrophobicContact CG2-CZ 3.49Å; V275-F340 VanDerWaalsContact CG2-CZ 3.49Å; L336-F340 HydrophobicContact CD1-CD2 4.1Å; L336-F340 HydrophobicContact CD1-CE2 3.81Å; L336-F340 HydrophobicContact CG-CD2 4.19Å; L336-F340 HydrophobicContact CG-CE2 4.08Å; L336-F340 WeakPolarHBondContact O-CD2 3.32Å; L336-F340 PolarHBondContact O-N 3.03Å; L336-F340 VanDerWaalsContact O-N 3.08Å; L337-F340 PolarHBondContact O-N 3.17Å; A338-F340 PolarHBondContact O-N 3.08Å; F340-I343 PolarHBondContact O-N 2.94Å; F340-F344 WeakPolarHBondContact O-CB 3.23Å; F340-F344 PolarHBondContact O-N 2.7Å; F340-C422 PolarHBondContact N-SG 2.86Å; F340-V481 HydrophobicContact CD1-CG1 4.18Å; F340-V481 WeakPolarHBondContact O-CG1 3.34Å; F340-V485 HydrophobicContact CB-CG2 3.74Å; F340-V485 HydrophobicContact CG-CG2 4.38Å; F340-L488 HydrophobicContact CD2-CD2 4.14Å |
| 341 | G | 97.6 | Very high | 95.6 | Very high | 30 Ų | 30 | 27.6 Ų | 27.6 | 31% | 0.309 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L337 A338 G339 F344 C345 | L337-G341 PolarHBondContact O-N 2.93Å; A338-G341 PolarHBondContact O-N 3.37Å; G339-G341 VanDerWaalsContact C-N 3.33Å; G339-G341 PolarHBondContact O-N 3.09Å; G341-F344 WeakPolarHBondContact O-CB 3.4Å; G341-F344 PolarHBondContact O-N 3.36Å; G341-C345 PolarHBondContact O-N 3.16Å; G341-C345 PolarHBondContact O-SG 3.46Å; G341-C345 VanDerWaalsContact O-SG 3.34Å |
| 342 | I | 97.4 | Very high | 95.7 | Very high | 55 Ų | 55 | 26.7 Ų | 26.7 | 28% | 0.282 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.2 | -43.7 | 177.1 | -66.3 | 166.6 | 0 | 0 | 0 | 111 | A338 G339 F344 C345 G346 L414 V417 | A338-I342 VanDerWaalsContact O-CG1 3.29Å; A338-I342 WeakPolarHBondContact O-CG1 3.49Å; A338-I342 PolarHBondContact O-N 2.98Å; G339-I342 PolarHBondContact O-N 2.91Å; I342-F344 VanDerWaalsContact C-N 3.31Å; I342-F344 PolarHBondContact O-N 3.08Å; I342-C345 PolarHBondContact O-N 3.46Å; I342-G346 PolarHBondContact O-N 3.33Å; I342-L414 HydrophobicContact CG2-CB 4.33Å; I342-L414 HydrophobicContact CG2-CD2 4.28Å; I342-L414 WeakPolarHBondContact CG2-O 3.49Å; I342-V417 HydrophobicContact CD1-CG1 4.05Å; I342-V417 HydrophobicContact CG2-CB 4.15Å; I342-V417 HydrophobicContact CG2-CG1 4.37Å |
| 343 | I | 96.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 174.9 | -66.9 | 172.6 | 0 | 0 | 0 | 110.3 | I278 G339 F340 C345 G346 F347 C422 V481 | I278-I343 HydrophobicContact CD1-CG2 4.33Å; I278-I343 HydrophobicContact CG2-CG2 4.14Å; G339-I343 WeakPolarHBondContact O-CG1 3.34Å; G339-I343 PolarHBondContact O-N 3.04Å; F340-I343 PolarHBondContact O-N 2.94Å; I343-C345 PolarHBondContact O-N 3.26Å; I343-G346 PolarHBondContact O-N 2.83Å; I343-G346 VanDerWaalsContact O-N 3.16Å; I343-F347 HydrophobicContact CG2-CD2 3.79Å; I343-F347 HydrophobicContact CG2-CE2 3.86Å; I343-F347 WeakPolarHBondContact O-CD2 3.18Å; I343-F347 PolarHBondContact O-N 3.19Å; I343-C422 HydrophobicContact CD1-CB 4.35Å; I343-V481 HydrophobicContact CG2-CG2 3.95Å |
| 344 | F | 97.4 | Very high | 95.1 | Very high | 63 Ų | 63 | 32.9 Ų | 32.9 | 28% | 0.276 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -58.6 | -48 | 177.8 | -176 | -113.5 | 0 | 0 | 0 | 111.8 | F340 G341 I342 G346 F347 I348 C478 V481 V482 | F340-F344 WeakPolarHBondContact O-CB 3.23Å; F340-F344 PolarHBondContact O-N 2.7Å; G341-F344 WeakPolarHBondContact O-CB 3.4Å; G341-F344 PolarHBondContact O-N 3.36Å; I342-F344 VanDerWaalsContact C-N 3.31Å; I342-F344 PolarHBondContact O-N 3.08Å; F344-G346 VanDerWaalsContact C-N 3.3Å; F344-G346 PolarHBondContact O-N 3Å; F344-F347 PolarHBondContact O-N 3Å; F344-I348 HydrophobicContact CD1-CD1 3.78Å; F344-I348 HydrophobicContact CD1-CG1 4.48Å; F344-I348 HydrophobicContact CE1-CD1 3.21Å; F344-I348 HydrophobicContact CE1-CG1 4.21Å; F344-I348 HydrophobicContact CE2-CD1 4.07Å; F344-I348 HydrophobicContact CE2-CG1 4.35Å; F344-I348 HydrophobicContact CG-CD1 4.44Å; F344-I348 HydrophobicContact CZ-CD1 3.4Å; F344-I348 HydrophobicContact CZ-CG1 4.15Å; F344-I348 WeakPolarHBondContact O-CG1 3.45Å; F344-I348 PolarHBondContact O-N 2.83Å; F344-C478 HydrophobicContact CD2-CB 4.32Å; F344-C478 HydrophobicContact CE2-CB 3.94Å; F344-V481 HydrophobicContact CB-CG1 3.66Å; F344-V481 HydrophobicContact CD2-CB 4.24Å; F344-V481 HydrophobicContact CD2-CG1 4.09Å; F344-V481 HydrophobicContact CG-CG1 4.31Å; F344-V482 HydrophobicContact CD2-CG2 3.91Å; F344-V482 HydrophobicContact CE2-CG2 3.32Å; F344-V482 HydrophobicContact CZ-CG2 3.78Å |
| 345 | C | 97.4 | Very high | 94.6 | Very high | 65 Ų | 65 | 37.9 Ų | 37.9 | 44% | 0.439 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.1 | -41.3 | 175.2 | -69.2 | 0 | 0 | 0 | 0 | 111.8 | G341 I342 I343 I348 V349 L414 | G341-C345 PolarHBondContact O-N 3.16Å; G341-C345 PolarHBondContact O-SG 3.46Å; G341-C345 VanDerWaalsContact O-SG 3.34Å; I342-C345 PolarHBondContact O-N 3.46Å; I343-C345 PolarHBondContact O-N 3.26Å; C345-I348 PolarHBondContact O-N 2.85Å; C345-V349 VanDerWaalsContact O-CG2 3.31Å; C345-V349 WeakPolarHBondContact O-CG2 3.21Å; C345-V349 PolarHBondContact O-N 2.97Å; C345-L414 HydrophobicContact CB-CD1 4.45Å |
| 346 | G | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.9 | -54.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I342 I343 F344 I348 V349 L350 S411 | I342-G346 PolarHBondContact O-N 3.33Å; I343-G346 PolarHBondContact O-N 2.83Å; I343-G346 VanDerWaalsContact O-N 3.16Å; F344-G346 VanDerWaalsContact C-N 3.3Å; F344-G346 PolarHBondContact O-N 3Å; G346-I348 VanDerWaalsContact C-N 3.32Å; G346-I348 PolarHBondContact O-N 3.37Å; G346-V349 WeakPolarHBondContact O-CB 3.46Å; G346-V349 PolarHBondContact O-N 3.26Å; G346-V349 VanDerWaalsContact O-N 3.1Å; G346-L350 PolarHBondContact O-N 3.43Å; G346-S411 WeakPolarHBondContact O-CB 3.35Å; G346-S411 PolarHBondContact O-OG 2.91Å |
| 347 | F | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.4 | -30.5 | 178.9 | -80.1 | -79.4 | 0 | 0 | 0 | 113.7 | I278 F282 I343 F344 L350 L351 I415 F474 I477 C478 | I278-F347 HydrophobicContact CG2-CD2 4.31Å; I278-F347 HydrophobicContact CG2-CE2 3.23Å; I278-F347 HydrophobicContact CG2-CZ 3.54Å; F282-F347 HydrophobicContact CB-CZ 4.41Å; F282-F347 HydrophobicContact CD2-CE1 4.44Å; F282-F347 HydrophobicContact CD2-CZ 4.31Å; I343-F347 HydrophobicContact CG2-CD2 3.79Å; I343-F347 HydrophobicContact CG2-CE2 3.86Å; I343-F347 WeakPolarHBondContact O-CD2 3.18Å; I343-F347 PolarHBondContact O-N 3.19Å; F344-F347 PolarHBondContact O-N 3Å; F347-L350 HydrophobicContact CD1-CD2 4.08Å; F347-L350 HydrophobicContact CE1-CD2 4.18Å; F347-L350 WeakPolarHBondContact O-CB 3.36Å; F347-L350 PolarHBondContact O-N 2.99Å; F347-L351 PolarHBondContact O-N 3.43Å; F347-I415 HydrophobicContact CD1-CD1 4.36Å; F347-I415 HydrophobicContact CD2-CD1 3.83Å; F347-I415 HydrophobicContact CD2-CG1 4.09Å; F347-I415 HydrophobicContact CE1-CD1 4.1Å; F347-I415 HydrophobicContact CE2-CD1 3.5Å; F347-I415 HydrophobicContact CE2-CG1 3.87Å; F347-I415 HydrophobicContact CE2-CG2 4.46Å; F347-I415 HydrophobicContact CG-CD1 4.23Å; F347-I415 HydrophobicContact CZ-CD1 3.67Å; F347-I415 HydrophobicContact CZ-CG1 4.48Å; F347-F474 HydrophobicContact CD1-CD1 4.21Å; F347-F474 HydrophobicContact CE1-CD1 4.27Å; F347-I477 HydrophobicContact CD1-CB 4.27Å; F347-I477 HydrophobicContact CD1-CD1 4.19Å; F347-I477 HydrophobicContact CD1-CG2 3.76Å; F347-I477 HydrophobicContact CD2-CG2 3.86Å; F347-I477 HydrophobicContact CE1-CB 4.39Å; F347-I477 HydrophobicContact CE1-CD1 3.68Å; F347-I477 HydrophobicContact CE1-CG2 3.75Å; F347-I477 HydrophobicContact CE2-CG2 3.88Å; F347-I477 HydrophobicContact CG-CG2 3.81Å; F347-I477 HydrophobicContact CZ-CD1 4.32Å; F347-I477 HydrophobicContact CZ-CG2 3.82Å; F347-C478 VanDerWaalsContact CB-SG 3.5Å |
| 348 | I | 95.8 | Very high | 93 | Very high | 62 Ų | 62 | 44 Ų | 44 | 32% | 0.318 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 170.4 | -78.3 | -173.7 | 0 | 0 | 0 | 111 | F344 C345 G346 L350 L351 W353 | F344-I348 HydrophobicContact CD1-CD1 3.78Å; F344-I348 HydrophobicContact CD1-CG1 4.48Å; F344-I348 HydrophobicContact CE1-CD1 3.21Å; F344-I348 HydrophobicContact CE1-CG1 4.21Å; F344-I348 HydrophobicContact CE2-CD1 4.07Å; F344-I348 HydrophobicContact CE2-CG1 4.35Å; F344-I348 HydrophobicContact CG-CD1 4.44Å; F344-I348 HydrophobicContact CZ-CD1 3.4Å; F344-I348 HydrophobicContact CZ-CG1 4.15Å; F344-I348 WeakPolarHBondContact O-CG1 3.45Å; F344-I348 PolarHBondContact O-N 2.83Å; C345-I348 PolarHBondContact O-N 2.85Å; G346-I348 VanDerWaalsContact C-N 3.32Å; G346-I348 PolarHBondContact O-N 3.37Å; I348-L350 PolarHBondContact O-N 3.23Å; I348-L351 WeakPolarHBondContact O-CB 3.16Å; I348-L351 PolarHBondContact O-N 2.9Å; I348-W353 PolarHBondContact O-NE1 3.49Å |
| 349 | V | 95.8 | Very high | 92.3 | Very high | 48 Ų | 48 | 48.3 Ų | 48.3 | 29% | 0.291 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.6 | -33.3 | 177.3 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | C345 G346 L351 Q407 L414 | C345-V349 VanDerWaalsContact O-CG2 3.31Å; C345-V349 WeakPolarHBondContact O-CG2 3.21Å; C345-V349 PolarHBondContact O-N 2.97Å; G346-V349 WeakPolarHBondContact O-CB 3.46Å; G346-V349 PolarHBondContact O-N 3.26Å; G346-V349 VanDerWaalsContact O-N 3.1Å; V349-L351 VanDerWaalsContact C-N 3.28Å; V349-L351 PolarHBondContact O-N 3.45Å; V349-Q407 HydrophobicContact CG1-CB 4.36Å; V349-L414 HydrophobicContact CG2-CD1 4.36Å |
| 350 | L | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.5 | -19.8 | 178 | -164.3 | 56.1 | 0 | 0 | 0 | 114.1 | F282 G346 F347 I348 I403 Y408 S411 F474 | F282-L350 HydrophobicContact CD2-CD2 4.47Å; F282-L350 HydrophobicContact CE2-CD2 4.21Å; G346-L350 PolarHBondContact O-N 3.43Å; F347-L350 HydrophobicContact CD1-CD2 4.08Å; F347-L350 HydrophobicContact CE1-CD2 4.18Å; F347-L350 WeakPolarHBondContact O-CB 3.36Å; F347-L350 PolarHBondContact O-N 2.99Å; I348-L350 PolarHBondContact O-N 3.23Å; L350-I403 HydrophobicContact CD1-CD1 4.37Å; L350-I403 HydrophobicContact CD1-CG2 4.41Å; L350-I403 VanDerWaalsContact O-CD1 3.32Å; L350-I403 WeakPolarHBondContact O-CD1 3.33Å; L350-Y408 HydrophobicContact CD1-CD2 3.85Å; L350-S411 WeakPolarHBondContact CB-OG 3.17Å; L350-F474 HydrophobicContact CD2-CD1 4.03Å; L350-F474 HydrophobicContact CD2-CD2 4.14Å; L350-F474 HydrophobicContact CD2-CE1 3.81Å; L350-F474 HydrophobicContact CD2-CE2 3.93Å; L350-F474 HydrophobicContact CD2-CG 4.21Å; L350-F474 HydrophobicContact CD2-CZ 3.78Å; L350-F474 HydrophobicContact CG-CD2 3.9Å; L350-F474 HydrophobicContact CG-CE2 3.76Å; L350-F474 HydrophobicContact CG-CG 4.37Å; L350-F474 HydrophobicContact CG-CZ 4.11Å |
| 351 | L | 94.7 | Very high | 90.5 | Very high | 20 Ų | 20 | 53 Ų | 53 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -61.3 | 139.1 | 178.2 | -77.4 | 167.6 | 0 | 0 | 0 | 110.4 | F347 I348 V349 W353 F474 S475 | F347-L351 PolarHBondContact O-N 3.43Å; I348-L351 WeakPolarHBondContact O-CB 3.16Å; I348-L351 PolarHBondContact O-N 2.9Å; V349-L351 VanDerWaalsContact C-N 3.28Å; V349-L351 PolarHBondContact O-N 3.45Å; L351-W353 HydrophobicContact CB-CZ2 4.06Å; L351-W353 HydrophobicContact CD1-CZ2 3.8Å; L351-W353 PolarHBondContact O-N 2.97Å; L351-W353 PolarHBondContact O-NE1 3.34Å; L351-F474 HydrophobicContact CD2-CB 3.75Å; L351-F474 HydrophobicContact CG-CB 4.36Å; L351-S475 WeakPolarHBondContact CD2-OG 3.5Å |
| 352 | P | 92.3 | Very high | 88.6 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | trans | -76.4 | 88.4 | -179.8 | 28.8 | -33.4 | 0 | 0 | 0 | 111 | G354 T400 P401 I403 R471 | P352-G354 VanDerWaalsContact C-N 3.35Å; P352-T400 HydrophobicContact CB-CG2 4.05Å; P352-T400 HydrophobicContact CG-CG2 3.55Å; P352-P401 HydrophobicContact CB-CB 4.45Å; P352-P401 WeakPolarHBondContact CB-O 3.4Å; P352-I403 HydrophobicContact CB-CG1 3.83Å; P352-R471 HydrophobicContact CG-CB 4.41Å; P352-R471 HydrophobicContact CG-CG 3.25Å; P352-R471 PolarHBondContact O-NH2 3.44Å | ||
| 353 | W | 89.1 | Confident | 86.4 | Confident | 165 Ų | 165 | 58.8 Ų | 58.8 | 63% | 0.625 | 29% | 0.287 | S | S | * | . | trans | -84.8 | -4.7 | 175.1 | -58.8 | 105.5 | 0 | 0 | 0 | 113.9 | I348 L351 | I348-W353 PolarHBondContact O-NE1 3.49Å; L351-W353 HydrophobicContact CB-CZ2 4.06Å; L351-W353 HydrophobicContact CD1-CZ2 3.8Å; L351-W353 PolarHBondContact O-N 2.97Å; L351-W353 PolarHBondContact O-NE1 3.34Å | ||
| 354 | G | 83.2 | Confident | 84.1 | Confident | 9 Ų | 9 | 62.4 Ų | 62.4 | 9% | 0.093 | 31% | 0.307 | C | S | . | . | trans | -68.5 | 175.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P352 P401 | P352-G354 VanDerWaalsContact C-N 3.35Å; G354-P401 WeakPolarHBondContact O-CB 3.39Å; G354-P401 WeakPolarHBondContact O-CG 3.19Å | ||
| 355 | N | 83.5 | Confident | 81.9 | Confident | 152 Ų | 152 | 65 Ų | 65 | 81% | 0.813 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -114.1 | -5.3 | 178.5 | -62.7 | -22.8 | 0 | 0 | 0 | 113.3 | ||
| 356 | H | 84.8 | Confident | 79.4 | Confident | 76 Ų | 76 | 70.6 Ų | 70.6 | 35% | 0.352 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -106.6 | 142.4 | 179.5 | 69.5 | -71.2 | 0 | 0 | 0 | 109.6 | P401 A402 Y404 | H356-P401 CarbonylContact O-C 3.49Å; H356-P401 WeakPolarHBondContact O-CA 3.43Å; H356-P401 WeakPolarHBondContact O-CB 3.3Å; H356-A402 WeakPolarHBondContact NE2-CB 3.4Å; H356-A402 PolarHBondContact O-N 2.92Å; H356-Y404 AromaticContact CE1-CD1 3.63Å; H356-Y404 AromaticContact CE1-CE1 3.07Å; H356-Y404 WeakPolarHBondContact CE1-CE1 3.44Å; H356-Y404 AromaticContact CE1-CE2 3.7Å; H356-Y404 AromaticContact CE1-CZ 3.12Å; H356-Y404 PolarHBondContact CE1-OH 2.85Å; H356-Y404 AromaticContact ND1-CE1 3.65Å; H356-Y404 AromaticContact ND1-CZ 3.34Å; H356-Y404 VanDerWaalsContact ND1-CZ 3.34Å; H356-Y404 PolarHBondContact ND1-OH 3.27Å; H356-Y404 VanDerWaalsContact ND1-OH 3.08Å; H356-Y404 AromaticContact NE2-CE1 3.85Å |
| 357 | F | 85.8 | Confident | 77.1 | Confident | 114 Ų | 114 | 77.4 Ų | 77.4 | 50% | 0.5 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 152.2 | 179.1 | -62.1 | -74.6 | 0 | 0 | 0 | 111.1 | Q398 | F357-Q398 WeakPolarHBondContact CD1-O 3.4Å; F357-Q398 VanDerWaalsContact CE1-O 3.27Å; F357-Q398 WeakPolarHBondContact CE1-O 3.47Å |
| 358 | P | 85.2 | Confident | 74.9 | Confident | 6 Ų | 6 | 83.8 Ų | 83.8 | 4% | 0.039 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 153.8 | 175.7 | 27 | -34.3 | 0 | 0 | 0 | 111 | I360 C390 T400 A402 | P358-I360 PolarHBondContact O-N 3.48Å; P358-C390 HydrophobicContact CB-CB 4.36Å; P358-C390 HydrophobicContact CG-CB 4.28Å; P358-T400 WeakPolarHBondContact CD-O 3.35Å; P358-A402 HydrophobicContact CB-CB 4.17Å |
| 359 | K | 81.7 | Confident | 72.3 | Confident | 143 Ų | 143 | 85.7 Ų | 85.7 | 62% | 0.622 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 123.5 | 175.4 | -66.3 | -178.4 | -178.9 | 178.4 | 0 | 109.1 | A295 G389 C390 | A295-K359 HydrophobicContact CB-CB 4.31Å; A295-K359 HydrophobicContact CB-CD 4.25Å; K359-G389 WeakPolarHBondContact O-CA 3.48Å; K359-C390 PolarHBondContact O-N 2.94Å |
| 360 | I | 81.3 | Confident | 70 | Confident | 53 Ų | 53 | 91 Ų | 91 | 27% | 0.272 | 46% | 0.455 | S | S | . | . | B | Isolated β-bridge | trans | -86.8 | 140.2 | 177.9 | -52.1 | 173.3 | 0 | 0 | 0 | 108.4 | P358 W362 A363 Q398 | P358-I360 PolarHBondContact O-N 3.48Å; I360-W362 PolarHBondContact O-N 3.47Å; I360-A363 WeakPolarHBondContact O-CB 3.31Å; I360-A363 PolarHBondContact O-N 3.22Å; I360-Q398 HydrophobicContact CD1-CG 4.31Å |
| 361 | Q | 73.9 | Confident | 67.3 | Low | 47 Ų | 47 | 96.4 Ų | 96.4 | 22% | 0.22 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -25.8 | -179.4 | -73.1 | 175.2 | -7 | 0 | 0 | 115.1 | A363 P387 T388 G389 C390 | Q361-A363 PolarHBondContact O-N 3.41Å; Q361-P387 HydrophobicContact CG-CB 4.45Å; Q361-T388 WeakPolarHBondContact CG-O 3.28Å; Q361-G389 WeakPolarHBondContact CG-O 3.43Å; Q361-G389 PolarHBondContact NE2-O 2.81Å; Q361-C390 PolarHBondContact N-O 3.13Å |
| 362 | W | 57.6 | Low | 64.6 | Low | 148 Ų | 148 | 100.4 Ų | 100.4 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -73.4 | -20.1 | 178.8 | -72.2 | 81.3 | 0 | 0 | 0 | 114.8 | I360 D364 L365 K366 Y392 | I360-W362 PolarHBondContact O-N 3.47Å; W362-D364 VanDerWaalsContact C-N 3.29Å; W362-D364 PolarHBondContact O-N 3Å; W362-L365 PolarHBondContact O-N 3.16Å; W362-K366 PolarHBondContact O-N 3.08Å; W362-Y392 AromaticContact NE1-CD1 3.48Å; W362-Y392 AromaticContact NE1-CG 3.51Å |
| 363 | A | 52.7 | Low | 61.9 | Low | 58 Ų | 58 | 108.4 Ų | 108.4 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.6 | -34.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I360 Q361 | I360-A363 WeakPolarHBondContact O-CB 3.31Å; I360-A363 PolarHBondContact O-N 3.22Å; Q361-A363 PolarHBondContact O-N 3.41Å |
| 364 | D | 49 | Very low | 59.3 | Low | 78 Ų | 78 | 106.3 Ų | 106.3 | 42% | 0.417 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -77.4 | -33.5 | 177.7 | -63.2 | -34.2 | 0 | 0 | 0 | 111.9 | W362 N367 T388 | W362-D364 VanDerWaalsContact C-N 3.29Å; W362-D364 PolarHBondContact O-N 3Å; D364-N367 PolarHBondContact O-N 3.41Å; D364-T388 PolarHBondContact OD2-OG1 3.31Å; D364-T388 VanDerWaalsContact OD2-OG1 3.12Å |
| 365 | L | 50.1 | Low | 57.1 | Low | 116 Ų | 116 | 111.7 Ų | 111.7 | 61% | 0.607 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.5 | -33.2 | 172 | -85.4 | 152 | 0 | 0 | 0 | 112.9 | W362 N367 N368 | W362-L365 PolarHBondContact O-N 3.16Å; L365-N367 VanDerWaalsContact C-N 3.3Å; L365-N367 PolarHBondContact O-N 3.09Å; L365-N368 PolarHBondContact O-N 3.44Å |
| 366 | K | 45.6 | Very low | 54.8 | Low | 184 Ų | 184 | 108.3 Ų | 108.3 | 80% | 0.8 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.9 | -24.8 | 176.7 | -102.9 | -178 | 176.5 | 180 | 0 | 113.7 | W362 N368 | W362-K366 PolarHBondContact O-N 3.08Å; K366-N368 VanDerWaalsContact C-N 3.32Å |
| 367 | N | 48.1 | Very low | 52.2 | Low | 142 Ų | 142 | 107.4 Ų | 107.4 | 76% | 0.759 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -80 | -17.7 | 178.4 | -124.4 | 9.9 | 0 | 0 | 0 | 112.6 | D364 L365 S369 | D364-N367 PolarHBondContact O-N 3.41Å; L365-N367 VanDerWaalsContact C-N 3.3Å; L365-N367 PolarHBondContact O-N 3.09Å; N367-S369 PolarHBondContact O-N 3.3Å |
| 368 | N | 47.8 | Very low | 49.9 | Very low | 134 Ų | 134 | 107.8 Ų | 107.8 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -97.5 | 74.6 | 165.9 | -75.7 | -15.6 | 0 | 0 | 0 | 109 | L365 K366 L370 | L365-N368 PolarHBondContact O-N 3.44Å; K366-N368 VanDerWaalsContact C-N 3.32Å; N368-L370 PolarHBondContact O-N 2.85Å |
| 369 | S | 42.6 | Very low | 47.7 | Very low | 103 Ų | 103 | 114.2 Ų | 114.2 | 72% | 0.72 | 66% | 0.658 | S | S | * | * | trans | -58.8 | 101.6 | 177.3 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | N367 | N367-S369 PolarHBondContact O-N 3.3Š| ||
| 370 | L | 46.3 | Very low | 45.7 | Very low | 159 Ų | 159 | 113.7 Ų | 113.7 | 83% | 0.832 | 67% | 0.667 | S | S | * | * | trans | 178.1 | 69.3 | 141.7 | -99.9 | 167 | 0 | 0 | 0 | 111.4 | N368 | N368-L370 PolarHBondContact O-N 2.85Š| ||
| 371 | V | 38.3 | Very low | 43.5 | Very low | 113 Ų | 113 | 113.8 Ų | 113.8 | 69% | 0.685 | 68% | 0.681 | S | S | * | * | trans | -146.9 | 81.7 | 150.5 | -169.4 | 0 | 0 | 0 | 0 | 109.7 | Q373 | V371-Q373 WeakPolarHBondContact CG1-O 3.49Š| ||
| 372 | S | 37.3 | Very low | 41.9 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -77.7 | 132.7 | 143.9 | 48.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 373 | Q | 37.1 | Very low | 41.2 | Very low | 172 Ų | 172 | 115.4 Ų | 115.4 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | 81.4 | 108 | 179.7 | -53.6 | -170.9 | -29 | 0 | 0 | 115.1 | V371 | V371-Q373 WeakPolarHBondContact CG1-O 3.49Š| ||
| 374 | V | 33.6 | Very low | 41.1 | Very low | 121 Ų | 121 | 119.8 Ų | 119.8 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | -179.8 | 121 | 100.6 | 162.7 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 375 | S | 37.2 | Very low | 41.5 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -66.9 | 133.4 | 165.4 | -57.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 376 | G | 34.7 | Very low | 42.2 | Very low | 81 Ų | 81 | 119.5 Ų | 119.5 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 73.7 | 82 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 377 | G | 30.1 | Very low | 43.3 | Very low | 58 Ų | 58 | 115 Ų | 115 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 169.9 | 128.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | L379 | G377-L379 PolarHBondContact O-N 2.98Š|
| 378 | S | 38.4 | Very low | 44.8 | Very low | 121 Ų | 121 | 109.5 Ų | 109.5 | 85% | 0.846 | 70% | 0.699 | S | S | * | * | trans | -45.1 | 102.8 | 175.6 | 9.9 | 0 | 0 | 0 | 0 | 112 | V380 | S378-V380 VanDerWaalsContact C-N 3.3Å; S378-V380 PolarHBondContact O-N 2.88Å | ||
| 379 | L | 39.2 | Very low | 46.3 | Very low | 141 Ų | 141 | 103.4 Ų | 103.4 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | trans | -73.8 | 83.3 | 172.6 | -88.8 | 150.8 | 0 | 0 | 0 | 109.5 | G377 G381 | G377-L379 PolarHBondContact O-N 2.98Å; L379-G381 PolarHBondContact O-N 3.21Å | ||
| 380 | V | 39.4 | Very low | 48.3 | Very low | 132 Ų | 132 | 98.5 Ų | 98.5 | 80% | 0.8 | 63% | 0.633 | S | S | * | * | trans | -72.8 | 80.3 | 153.2 | -178.4 | 0 | 0 | 0 | 0 | 106.5 | S378 | S378-V380 VanDerWaalsContact C-N 3.3Å; S378-V380 PolarHBondContact O-N 2.88Å | ||
| 381 | G | 35.6 | Very low | 49.9 | Very low | 55 Ų | 55 | 92 Ų | 92 | 57% | 0.567 | 60% | 0.601 | S | S | * | * | trans | -76.6 | 123.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L379 G383 | L379-G381 PolarHBondContact O-N 3.21Å; G381-G383 PolarHBondContact O-N 3.41Å | ||
| 382 | N | 38.7 | Very low | 51.7 | Low | 173 Ų | 173 | 93 Ų | 93 | 93% | 0.925 | 59% | 0.593 | S | S | * | * | trans | -67.6 | 44.9 | 172.7 | -107.3 | -6 | 0 | 0 | 0 | 112.6 | ||||
| 383 | G | 42.8 | Very low | 53.7 | Low | 57 Ų | 57 | 95.1 Ų | 95.1 | 59% | 0.588 | 59% | 0.591 | S | S | * | * | trans | -95.2 | 120.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | G381 V385 | G381-G383 PolarHBondContact O-N 3.41Å; G383-V385 PolarHBondContact O-N 2.96Å | ||
| 384 | T | 50.4 | Low | 55.8 | Low | 149 Ų | 149 | 88.3 Ų | 88.3 | 91% | 0.914 | 56% | 0.559 | S | S | * | * | trans | -71.3 | 9.4 | 176.5 | 49 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 385 | V | 57.8 | Low | 58.2 | Low | 116 Ų | 116 | 87.5 Ų | 87.5 | 70% | 0.703 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -106.5 | 115.6 | -174.9 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | G383 | G383-V385 PolarHBondContact O-N 2.96Š|
| 386 | E | 66.1 | Low | 60.6 | Low | 72 Ų | 72 | 82 Ų | 82 | 34% | 0.336 | 52% | 0.515 | S | S | . | . | trans | -60.1 | 129.5 | 176 | -168.2 | 176 | -178.7 | 0 | 0 | 109.2 | R298 T388 | R298-E386 VanDerWaalsContact CB-OE1 3.3Å; R298-E386 WeakPolarHBondContact CB-OE1 3.44Å; R298-E386 IonicContact NE-OE1 3.56Å; E386-T388 PolarHBondContact O-N 2.99Å | ||
| 387 | P | 68.4 | Low | 63.1 | Low | 91 Ų | 91 | 78.2 Ų | 78.2 | 59% | 0.591 | 48% | 0.476 | S | S | * | . | trans | -63.4 | 126.8 | -178 | 25.1 | -33 | 0 | 0 | 0 | 110.4 | Q361 | Q361-P387 HydrophobicContact CG-CB 4.45Š| ||
| 388 | T | 78.3 | Confident | 65.6 | Low | 26 Ų | 26 | 81.8 Ų | 81.8 | 16% | 0.16 | 48% | 0.477 | C | S | . | . | trans | -108.3 | 147.3 | -178.3 | 42.1 | 0 | 0 | 0 | 0 | 112.3 | A295 T297 Q361 D364 E386 | A295-T388 WeakPolarHBondContact O-CB 3.5Å; A295-T388 WeakPolarHBondContact O-CG2 3.35Å; T297-T388 HydrophobicContact CG2-CG2 3.75Å; Q361-T388 WeakPolarHBondContact CG-O 3.28Å; D364-T388 PolarHBondContact OD2-OG1 3.31Å; D364-T388 VanDerWaalsContact OD2-OG1 3.12Å; E386-T388 PolarHBondContact O-N 2.99Å | ||
| 389 | G | 81.1 | Confident | 67.9 | Low | 5 Ų | 5 | 80.2 Ų | 80.2 | 5% | 0.052 | 46% | 0.463 | C | S | . | . | S | Bend | trans | 89.5 | -173.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | K359 Q361 | K359-G389 WeakPolarHBondContact O-CA 3.48Å; Q361-G389 WeakPolarHBondContact CG-O 3.43Å; Q361-G389 PolarHBondContact NE2-O 2.81Å |
| 390 | C | 83.1 | Confident | 70.3 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 43% | 0.429 | C | S | . | . | B | Isolated β-bridge | trans | -68.6 | 127.2 | -167.4 | -149.7 | 0 | 0 | 0 | 0 | 111.2 | D292 P358 K359 Q361 W396 C397 | D292-C390 HydrophobicContact CB-CB 4.46Å; P358-C390 HydrophobicContact CB-CB 4.36Å; P358-C390 HydrophobicContact CG-CB 4.28Å; K359-C390 PolarHBondContact O-N 2.94Å; Q361-C390 PolarHBondContact N-O 3.13Å; C390-W396 VanDerWaalsContact SG-CH2 3.54Å; C390-W396 VanDerWaalsContact SG-CZ3 3.51Å; C390-C397 HydrophobicContact CB-CB 3.75Å; C390-C397 WeakPolarHBondContact CB-SG 3.36Å; C390-C397 WeakPolarHBondContact SG-CB 3.45Å; C390-C397 CovalentContact SG-SG 2.02Å; C390-C397 PolarHBondContact SG-SG 3.36Å |
| 391 | P | 80.5 | Confident | 72.7 | Confident | 24 Ų | 24 | 67.8 Ų | 67.8 | 16% | 0.156 | 39% | 0.393 | C | S | . | . | trans | -69.4 | 142.5 | -178.1 | 27.5 | -33.7 | 0 | 0 | 0 | 111.9 | D292 E393 Q394 C397 | D292-P391 WeakPolarHBondContact OD1-CD 3.3Å; P391-E393 PolarHBondContact O-N 3.17Å; P391-Q394 HydrophobicContact CG-CB 4.27Å; P391-Q394 VanDerWaalsContact CG-CD 3.47Å; P391-Q394 HydrophobicContact CG-CG 3.89Å; P391-Q394 PolarHBondContact O-N 3.01Å; P391-Q394 VanDerWaalsContact O-N 3.13Å; P391-C397 PolarHBondContact O-SG 3Å; P391-C397 VanDerWaalsContact O-SG 3.33Å | ||
| 392 | Y | 75.8 | Confident | 75.3 | Confident | 133 Ų | 133 | 65.3 Ų | 65.3 | 52% | 0.522 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21.9 | -177.8 | 72.4 | -92.5 | 0 | 0 | 0 | 113.5 | W362 Q394 | W362-Y392 AromaticContact NE1-CD1 3.48Å; W362-Y392 AromaticContact NE1-CG 3.51Å; Y392-Q394 PolarHBondContact O-N 3.21Å |
| 393 | E | 78.6 | Confident | 77.8 | Confident | 149 Ų | 149 | 57.2 Ų | 57.2 | 70% | 0.696 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -24.4 | 176.6 | -60.8 | -175.7 | 169.2 | 0 | 0 | 111.8 | P391 T395 | P391-E393 PolarHBondContact O-N 3.17Å; E393-T395 PolarHBondContact O-N 3.01Å |
| 394 | Q | 81.9 | Confident | 80.2 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | trans | -89.2 | 103.1 | 177.7 | -71.7 | 176.5 | -7.6 | 0 | 0 | 110.3 | P391 Y392 W396 C397 | P391-Q394 HydrophobicContact CG-CB 4.27Å; P391-Q394 VanDerWaalsContact CG-CD 3.47Å; P391-Q394 HydrophobicContact CG-CG 3.89Å; P391-Q394 PolarHBondContact O-N 3.01Å; P391-Q394 VanDerWaalsContact O-N 3.13Å; Y392-Q394 PolarHBondContact O-N 3.21Å; Q394-W396 HydrophobicContact CB-CZ2 4.36Å; Q394-W396 HydrophobicContact CG-CZ2 4.45Å; Q394-W396 PolarHBondContact O-N 2.95Å; Q394-C397 VanDerWaalsContact CB-SG 3.6Å; Q394-C397 WeakPolarHBondContact O-CB 3.41Å; Q394-C397 PolarHBondContact O-N 2.97Å; Q394-C397 VanDerWaalsContact O-N 3.17Å; Q394-C397 PolarHBondContact O-SG 3.37Å | ||
| 395 | T | 84.1 | Confident | 82.2 | Confident | 103 Ų | 103 | 56.3 Ų | 56.3 | 63% | 0.632 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -62.4 | -28.3 | -177.1 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | E393 C397 Q398 | E393-T395 PolarHBondContact O-N 3.01Å; T395-C397 PolarHBondContact O-N 3.01Å; T395-Q398 PolarHBondContact O-N 3.37Å |
| 396 | W | 88.2 | Confident | 83.8 | Confident | 6 Ų | 6 | 54 Ų | 54 | 2% | 0.023 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -68.4 | -18.2 | 179.8 | 61.3 | -104 | 0 | 0 | 0 | 113.4 | D292 M293 C390 Q394 Q398 T399 T400 Y465 T466 P470 | D292-W396 HydrophobicContact CB-CH2 4.16Å; M293-W396 HydrophobicContact CE-CH2 3.76Å; M293-W396 HydrophobicContact CE-CZ3 3.41Å; M293-W396 VanDerWaalsContact CE-CZ3 3.41Å; C390-W396 VanDerWaalsContact SG-CH2 3.54Å; C390-W396 VanDerWaalsContact SG-CZ3 3.51Å; Q394-W396 HydrophobicContact CB-CZ2 4.36Å; Q394-W396 HydrophobicContact CG-CZ2 4.45Å; Q394-W396 PolarHBondContact O-N 2.95Å; W396-Q398 PolarHBondContact O-N 3.43Å; W396-Q398 VanDerWaalsContact O-N 3.14Å; W396-T399 PolarHBondContact O-N 3.42Å; W396-T399 VanDerWaalsContact O-N 3.09Å; W396-T399 PolarHBondContact O-OG1 3.28Å; W396-T400 VanDerWaalsContact O-CB 3.26Å; W396-T400 WeakPolarHBondContact O-CB 3.49Å; W396-T400 PolarHBondContact O-N 2.99Å; W396-T400 PolarHBondContact O-OG1 2.98Å; W396-Y465 HydrophobicContact CH2-CE1 4.37Å; W396-Y465 HydrophobicContact CH2-CE2 4.24Å; W396-Y465 AromaticContact CH2-CZ 3.77Å; W396-Y465 WeakPolarHBondContact CH2-OH 3.44Å; W396-Y465 HydrophobicContact CZ2-CD1 4.4Å; W396-Y465 AromaticContact CZ2-CE1 3.74Å; W396-Y465 HydrophobicContact CZ2-CE1 3.74Å; W396-Y465 HydrophobicContact CZ2-CE2 4.08Å; W396-Y465 AromaticContact CZ2-CZ 3.56Å; W396-Y465 PolarHBondContact NE1-O 3.3Å; W396-T466 PolarHBondContact NE1-O 3.1Å; W396-P470 VanDerWaalsContact CE3-CD 3.44Å; W396-P470 HydrophobicContact CE3-CG 4.22Å; W396-P470 HydrophobicContact CH2-CG 4.42Å; W396-P470 HydrophobicContact CZ3-CG 4.02Å |
| 397 | C | 86 | Confident | 85.2 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -57.8 | -27.1 | 176.1 | -63 | 0 | 0 | 0 | 0 | 112.4 | C390 P391 Q394 T395 | C390-C397 HydrophobicContact CB-CB 3.75Å; C390-C397 WeakPolarHBondContact CB-SG 3.36Å; C390-C397 WeakPolarHBondContact SG-CB 3.45Å; C390-C397 CovalentContact SG-SG 2.02Å; C390-C397 PolarHBondContact SG-SG 3.36Å; P391-C397 PolarHBondContact O-SG 3Å; P391-C397 VanDerWaalsContact O-SG 3.33Å; Q394-C397 VanDerWaalsContact CB-SG 3.6Å; Q394-C397 WeakPolarHBondContact O-CB 3.41Å; Q394-C397 PolarHBondContact O-N 2.97Å; Q394-C397 VanDerWaalsContact O-N 3.17Å; Q394-C397 PolarHBondContact O-SG 3.37Å; T395-C397 PolarHBondContact O-N 3.01Å |
| 398 | Q | 83.9 | Confident | 86.4 | Confident | 132 Ų | 132 | 48.5 Ų | 48.5 | 62% | 0.617 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -89.4 | -18.5 | -179 | -61.2 | -179.4 | 4.1 | 0 | 0 | 113.4 | F357 I360 T395 W396 | F357-Q398 WeakPolarHBondContact CD1-O 3.4Å; F357-Q398 VanDerWaalsContact CE1-O 3.27Å; F357-Q398 WeakPolarHBondContact CE1-O 3.47Å; I360-Q398 HydrophobicContact CD1-CG 4.31Å; T395-Q398 PolarHBondContact O-N 3.37Å; W396-Q398 PolarHBondContact O-N 3.43Å; W396-Q398 VanDerWaalsContact O-N 3.14Å |
| 399 | T | 86.4 | Confident | 87.2 | Confident | 89 Ų | 89 | 51.1 Ų | 51.1 | 55% | 0.546 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -19.3 | -172.6 | 60.2 | 0 | 0 | 0 | 0 | 112.7 | W396 R471 | W396-T399 PolarHBondContact O-N 3.42Å; W396-T399 VanDerWaalsContact O-N 3.09Å; W396-T399 PolarHBondContact O-OG1 3.28Å; T399-R471 PolarHBondContact O-NH1 3.26Å |
| 400 | T | 89.3 | Confident | 87.9 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -104.5 | 121.8 | -177.5 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | P352 P358 W396 P470 R471 | P352-T400 HydrophobicContact CB-CG2 4.05Å; P352-T400 HydrophobicContact CG-CG2 3.55Å; P358-T400 WeakPolarHBondContact CD-O 3.35Å; W396-T400 VanDerWaalsContact O-CB 3.26Å; W396-T400 WeakPolarHBondContact O-CB 3.49Å; W396-T400 PolarHBondContact O-N 2.99Å; W396-T400 PolarHBondContact O-OG1 2.98Å; T400-P470 HydrophobicContact CG2-CG 3.81Å; T400-R471 HydrophobicContact CG2-CG 3.69Å |
| 401 | P | 90.6 | Very high | 88.4 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 153.2 | 173.8 | -23.5 | 33.7 | 0 | 0 | 0 | 112.1 | P352 G354 H356 | P352-P401 HydrophobicContact CB-CB 4.45Å; P352-P401 WeakPolarHBondContact CB-O 3.4Å; G354-P401 WeakPolarHBondContact O-CB 3.39Å; G354-P401 WeakPolarHBondContact O-CG 3.19Å; H356-P401 CarbonylContact O-C 3.49Å; H356-P401 WeakPolarHBondContact O-CA 3.43Å; H356-P401 WeakPolarHBondContact O-CB 3.3Å |
| 402 | A | 88.7 | Confident | 89.1 | Confident | 3 Ų | 3 | 53 Ų | 53 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 142.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | H356 P358 | H356-A402 WeakPolarHBondContact NE2-CB 3.4Å; H356-A402 PolarHBondContact O-N 2.92Å; P358-A402 HydrophobicContact CB-CB 4.17Å |
| 403 | I | 92.6 | Very high | 90 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.015 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 133.3 | 170.5 | -59 | 168.9 | 0 | 0 | 0 | 107 | L289 M293 F294 L350 P352 Q407 F474 | L289-I403 HydrophobicContact CD1-CD1 4.09Å; L289-I403 HydrophobicContact CD2-CD1 4.36Å; M293-I403 HydrophobicContact CG-CB 4.48Å; M293-I403 HydrophobicContact CG-CD1 4.38Å; M293-I403 HydrophobicContact SD-CB 4.41Å; M293-I403 HydrophobicContact SD-CD1 4.36Å; M293-I403 HydrophobicContact SD-CG1 4.14Å; F294-I403 VanDerWaalsContact CE1-O 3.22Å; F294-I403 WeakPolarHBondContact CE1-O 3.47Å; L350-I403 HydrophobicContact CD1-CD1 4.37Å; L350-I403 HydrophobicContact CD1-CG2 4.41Å; L350-I403 VanDerWaalsContact O-CD1 3.32Å; L350-I403 WeakPolarHBondContact O-CD1 3.33Å; P352-I403 HydrophobicContact CB-CG1 3.83Å; I403-Q407 HydrophobicContact CG2-CB 4.03Å; I403-F474 HydrophobicContact CD1-CE2 3.88Å |
| 404 | Y | 92.5 | Very high | 90.9 | Very high | 113 Ų | 113 | 47.4 Ų | 47.4 | 44% | 0.443 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 147.3 | 175.7 | -67.6 | -80.8 | 0 | 0 | 0 | 110.9 | H356 A406 Q407 Y408 | H356-Y404 AromaticContact CE1-CD1 3.63Å; H356-Y404 AromaticContact CE1-CE1 3.07Å; H356-Y404 WeakPolarHBondContact CE1-CE1 3.44Å; H356-Y404 AromaticContact CE1-CE2 3.7Å; H356-Y404 AromaticContact CE1-CZ 3.12Å; H356-Y404 PolarHBondContact CE1-OH 2.85Å; H356-Y404 AromaticContact ND1-CE1 3.65Å; H356-Y404 AromaticContact ND1-CZ 3.34Å; H356-Y404 VanDerWaalsContact ND1-CZ 3.34Å; H356-Y404 PolarHBondContact ND1-OH 3.27Å; H356-Y404 VanDerWaalsContact ND1-OH 3.08Å; H356-Y404 AromaticContact NE2-CE1 3.85Å; Y404-A406 PolarHBondContact O-N 3.46Å; Y404-Q407 VanDerWaalsContact N-OE1 3.11Å; Y404-Q407 WeakPolarHBondContact O-CA 3.42Å; Y404-Q407 WeakPolarHBondContact O-CB 3.41Å; Y404-Q407 PolarHBondContact O-N 2.74Å; Y404-Y408 PolarHBondContact O-N 2.92Å |
| 405 | L | 91.8 | Very high | 91.5 | Very high | 74 Ų | 74 | 46.4 Ų | 46.4 | 39% | 0.387 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56.8 | -39.1 | 179 | -177.8 | 62.1 | 0 | 0 | 0 | 112.4 | F294 W296 Q407 Y408 I409 | F294-L405 HydrophobicContact CD1-CB 4.47Å; F294-L405 HydrophobicContact CD2-CD1 4.36Å; F294-L405 HydrophobicContact CE1-CB 4.01Å; F294-L405 HydrophobicContact CE1-CD1 4.28Å; F294-L405 HydrophobicContact CE2-CD1 3.97Å; F294-L405 HydrophobicContact CZ-CB 4.38Å; F294-L405 HydrophobicContact CZ-CD1 3.94Å; W296-L405 HydrophobicContact CH2-CD1 3.81Å; W296-L405 HydrophobicContact CZ2-CD1 3.8Å; W296-L405 HydrophobicContact CZ2-CD2 4.4Å; L405-Q407 VanDerWaalsContact C-N 3.32Å; L405-Q407 PolarHBondContact O-N 2.85Å; L405-Y408 HydrophobicContact CD1-CD1 4.44Å; L405-Y408 PolarHBondContact O-N 3.21Å; L405-I409 HydrophobicContact CD1-CD1 4.1Å; L405-I409 HydrophobicContact CD1-CG1 4.3Å; L405-I409 HydrophobicContact CG-CD1 3.92Å; L405-I409 HydrophobicContact CG-CG1 4.5Å; L405-I409 WeakPolarHBondContact O-CG1 3.26Å; L405-I409 PolarHBondContact O-N 2.75Å |
| 406 | A | 92.8 | Very high | 91.9 | Very high | 68 Ų | 68 | 41.7 Ų | 41.7 | 56% | 0.562 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -63.5 | -36.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y404 S410 | Y404-A406 PolarHBondContact O-N 3.46Å; A406-S410 VanDerWaalsContact O-CB 3.23Å; A406-S410 WeakPolarHBondContact O-CB 3.37Å; A406-S410 PolarHBondContact O-N 2.73Å; A406-S410 PolarHBondContact O-OG 3.45Å |
| 407 | Q | 94.3 | Very high | 92.3 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 21% | 0.21 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.4 | -43.7 | 175 | -70.3 | 174.4 | -30.4 | 0 | 0 | 110.8 | V349 I403 Y404 L405 S410 S411 | V349-Q407 HydrophobicContact CG1-CB 4.36Å; I403-Q407 HydrophobicContact CG2-CB 4.03Å; Y404-Q407 VanDerWaalsContact N-OE1 3.11Å; Y404-Q407 WeakPolarHBondContact O-CA 3.42Å; Y404-Q407 WeakPolarHBondContact O-CB 3.41Å; Y404-Q407 PolarHBondContact O-N 2.74Å; L405-Q407 VanDerWaalsContact C-N 3.32Å; L405-Q407 PolarHBondContact O-N 2.85Å; Q407-S410 PolarHBondContact O-N 3.37Å; Q407-S411 VanDerWaalsContact O-CB 3.28Å; Q407-S411 WeakPolarHBondContact O-CB 3.47Å; Q407-S411 PolarHBondContact O-N 3.1Å |
| 408 | Y | 94.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.2 | -51.8 | 176.7 | 179.5 | -111.6 | 0 | 0 | 0 | 111.8 | A286 L289 F294 N305 I308 L350 Y404 L405 S410 S411 D412 | A286-Y408 WeakPolarHBondContact CB-OH 3.3Å; L289-Y408 HydrophobicContact CD2-CD2 4.19Å; L289-Y408 HydrophobicContact CD2-CE2 3.99Å; F294-Y408 AromaticContact CE2-CD1 3.93Å; F294-Y408 HydrophobicContact CE2-CD1 3.93Å; F294-Y408 HydrophobicContact CE2-CE1 4.42Å; F294-Y408 HydrophobicContact CE2-CG 4.09Å; F294-Y408 HydrophobicContact CZ-CD1 4.17Å; F294-Y408 AromaticContact CZ-CG 3.98Å; F294-Y408 HydrophobicContact CZ-CG 3.98Å; N305-Y408 PolarHBondContact OD1-OH 3.19Å; I308-Y408 HydrophobicContact CD1-CD1 4.47Å; I308-Y408 HydrophobicContact CD1-CE1 3.95Å; L350-Y408 HydrophobicContact CD1-CD2 3.85Å; Y404-Y408 PolarHBondContact O-N 2.92Å; L405-Y408 HydrophobicContact CD1-CD1 4.44Å; L405-Y408 PolarHBondContact O-N 3.21Å; Y408-S410 PolarHBondContact O-N 2.95Å; Y408-S411 PolarHBondContact O-N 2.88Å; Y408-D412 WeakPolarHBondContact O-CB 3.32Å; Y408-D412 PolarHBondContact O-N 2.87Å |
| 409 | I | 94.6 | Very high | 93.2 | Very high | 81 Ų | 81 | 38.1 Ų | 38.1 | 42% | 0.415 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 178.8 | -64.7 | 170.1 | 0 | 0 | 0 | 111.5 | L405 D412 F413 | L405-I409 HydrophobicContact CD1-CD1 4.1Å; L405-I409 HydrophobicContact CD1-CG1 4.3Å; L405-I409 HydrophobicContact CG-CD1 3.92Å; L405-I409 HydrophobicContact CG-CG1 4.5Å; L405-I409 WeakPolarHBondContact O-CG1 3.26Å; L405-I409 PolarHBondContact O-N 2.75Å; I409-D412 PolarHBondContact O-N 3.37Å; I409-F413 WeakPolarHBondContact O-CB 3.39Å; I409-F413 PolarHBondContact O-N 3.42Å |
| 410 | S | 95.3 | Very high | 93.6 | Very high | 62 Ų | 62 | 33.9 Ų | 33.9 | 43% | 0.434 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.1 | -41.4 | 179 | -58 | 0 | 0 | 0 | 0 | 112 | A406 Q407 Y408 L414 | A406-S410 VanDerWaalsContact O-CB 3.23Å; A406-S410 WeakPolarHBondContact O-CB 3.37Å; A406-S410 PolarHBondContact O-N 2.73Å; A406-S410 PolarHBondContact O-OG 3.45Å; Q407-S410 PolarHBondContact O-N 3.37Å; Y408-S410 PolarHBondContact O-N 2.95Å; S410-L414 WeakPolarHBondContact O-CG 3.42Å; S410-L414 PolarHBondContact O-N 3.06Å |
| 411 | S | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 173.6 | 166.9 | 0 | 0 | 0 | 0 | 111 | G346 L350 Q407 Y408 F413 L414 I415 | G346-S411 WeakPolarHBondContact O-CB 3.35Å; G346-S411 PolarHBondContact O-OG 2.91Å; L350-S411 WeakPolarHBondContact CB-OG 3.17Å; Q407-S411 VanDerWaalsContact O-CB 3.28Å; Q407-S411 WeakPolarHBondContact O-CB 3.47Å; Q407-S411 PolarHBondContact O-N 3.1Å; Y408-S411 PolarHBondContact O-N 2.88Å; S411-F413 VanDerWaalsContact C-N 3.31Å; S411-F413 PolarHBondContact O-N 3.25Å; S411-L414 PolarHBondContact O-N 2.84Å; S411-L414 VanDerWaalsContact O-N 3.12Å; S411-I415 WeakPolarHBondContact O-CB 3.48Å; S411-I415 VanDerWaalsContact O-CG1 3.31Å; S411-I415 WeakPolarHBondContact O-CG1 3.4Å; S411-I415 PolarHBondContact O-N 3.25Å; S411-I415 WeakPolarHBondContact OG-CD1 3.49Å |
| 412 | D | 93.9 | Very high | 94.1 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.8 | -43.5 | -179.6 | -177.7 | 69.1 | 0 | 0 | 0 | 111.7 | F282 I308 I312 Y408 I409 L414 I415 G416 | F282-D412 WeakPolarHBondContact CE1-OD1 3.32Å; F282-D412 HydrophobicContact CZ-CB 4.11Å; F282-D412 WeakPolarHBondContact CZ-OD1 3.47Å; I308-D412 WeakPolarHBondContact CG2-OD2 3.24Å; I312-D412 WeakPolarHBondContact CD1-OD1 3.43Å; I312-D412 WeakPolarHBondContact CD1-OD2 3.4Å; I312-D412 WeakPolarHBondContact CG1-OD2 3.31Å; Y408-D412 WeakPolarHBondContact O-CB 3.32Å; Y408-D412 PolarHBondContact O-N 2.87Å; I409-D412 PolarHBondContact O-N 3.37Å; D412-L414 PolarHBondContact O-N 3.48Å; D412-I415 PolarHBondContact O-N 3.17Å; D412-G416 PolarHBondContact O-N 3.02Å |
| 413 | F | 95.6 | Very high | 94.3 | Very high | 112 Ų | 112 | 34.1 Ų | 34.1 | 49% | 0.491 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.7 | -48.6 | 171.2 | -179 | -92.5 | 0 | 0 | 0 | 112.1 | Q315 I409 S411 G416 V417 | Q315-F413 VanDerWaalsContact CD-CD2 3.49Å; Q315-F413 HydrophobicContact CG-CE2 4.2Å; Q315-F413 PolarHBondContact NE2-O 3.49Å; I409-F413 WeakPolarHBondContact O-CB 3.39Å; I409-F413 PolarHBondContact O-N 3.42Å; S411-F413 VanDerWaalsContact C-N 3.31Å; S411-F413 PolarHBondContact O-N 3.25Å; F413-G416 CarbonylContact O-C 3.58Å; F413-G416 PolarHBondContact O-N 3.18Å; F413-V417 HydrophobicContact CD1-CG2 4.42Å; F413-V417 HydrophobicContact CE1-CG2 4.01Å; F413-V417 HydrophobicContact CZ-CG2 4.25Å; F413-V417 PolarHBondContact O-N 3.21Å |
| 414 | L | 96.6 | Very high | 94.3 | Very high | 52 Ų | 52 | 34 Ų | 34 | 27% | 0.272 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.6 | -48.4 | 179.7 | -71.9 | 172.2 | 0 | 0 | 0 | 111.8 | I342 C345 V349 S410 S411 D412 G416 V417 G418 | I342-L414 HydrophobicContact CG2-CB 4.33Å; I342-L414 HydrophobicContact CG2-CD2 4.28Å; I342-L414 WeakPolarHBondContact CG2-O 3.49Å; C345-L414 HydrophobicContact CB-CD1 4.45Å; V349-L414 HydrophobicContact CG2-CD1 4.36Å; S410-L414 WeakPolarHBondContact O-CG 3.42Å; S410-L414 PolarHBondContact O-N 3.06Å; S411-L414 PolarHBondContact O-N 2.84Å; S411-L414 VanDerWaalsContact O-N 3.12Å; D412-L414 PolarHBondContact O-N 3.48Å; L414-G416 PolarHBondContact O-N 2.87Å; L414-V417 PolarHBondContact O-N 3.3Å; L414-G418 PolarHBondContact O-N 3.23Å |
| 415 | I | 95.1 | Very high | 94.4 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.6 | -40.4 | 176.3 | -65.5 | 167.1 | 0 | 0 | 0 | 109.8 | F282 F347 S411 D412 V417 G418 Y419 | F282-I415 HydrophobicContact CD2-CD1 3.97Å; F282-I415 HydrophobicContact CE2-CD1 3.96Å; F347-I415 HydrophobicContact CD1-CD1 4.36Å; F347-I415 HydrophobicContact CD2-CD1 3.83Å; F347-I415 HydrophobicContact CD2-CG1 4.09Å; F347-I415 HydrophobicContact CE1-CD1 4.1Å; F347-I415 HydrophobicContact CE2-CD1 3.5Å; F347-I415 HydrophobicContact CE2-CG1 3.87Å; F347-I415 HydrophobicContact CE2-CG2 4.46Å; F347-I415 HydrophobicContact CG-CD1 4.23Å; F347-I415 HydrophobicContact CZ-CD1 3.67Å; F347-I415 HydrophobicContact CZ-CG1 4.48Å; S411-I415 WeakPolarHBondContact O-CB 3.48Å; S411-I415 VanDerWaalsContact O-CG1 3.31Å; S411-I415 WeakPolarHBondContact O-CG1 3.4Å; S411-I415 PolarHBondContact O-N 3.25Å; S411-I415 WeakPolarHBondContact OG-CD1 3.49Å; D412-I415 PolarHBondContact O-N 3.17Å; I415-V417 VanDerWaalsContact C-N 3.28Å; I415-V417 PolarHBondContact O-N 3.31Å; I415-G418 PolarHBondContact O-N 3.07Å; I415-Y419 WeakPolarHBondContact O-CB 3.37Å; I415-Y419 PolarHBondContact O-N 3.33Å |
| 416 | G | 93.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.2 | -24.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q315 D412 F413 L414 P420 | Q315-G416 VanDerWaalsContact NE2-C 3.31Å; D412-G416 PolarHBondContact O-N 3.02Å; F413-G416 CarbonylContact O-C 3.58Å; F413-G416 PolarHBondContact O-N 3.18Å; L414-G416 PolarHBondContact O-N 2.87Å; G416-P420 WeakPolarHBondContact O-CD 3.18Å; G416-P420 WeakPolarHBondContact O-CG 3.28Å |
| 417 | V | 95.1 | Very high | 94.4 | Very high | 37 Ų | 37 | 22.3 Ų | 22.3 | 22% | 0.224 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -82.1 | -47.9 | 168.8 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | V319 I342 F413 L414 I415 | V319-V417 WeakPolarHBondContact CG1-O 3.38Å; V319-V417 HydrophobicContact CG2-CB 4.43Å; V319-V417 HydrophobicContact CG2-CG1 4.22Å; V319-V417 HydrophobicContact CG2-CG2 4.41Å; I342-V417 HydrophobicContact CD1-CG1 4.05Å; I342-V417 HydrophobicContact CG2-CB 4.15Å; I342-V417 HydrophobicContact CG2-CG1 4.37Å; F413-V417 HydrophobicContact CD1-CG2 4.42Å; F413-V417 HydrophobicContact CE1-CG2 4.01Å; F413-V417 HydrophobicContact CZ-CG2 4.25Å; F413-V417 PolarHBondContact O-N 3.21Å; L414-V417 PolarHBondContact O-N 3.3Å; I415-V417 VanDerWaalsContact C-N 3.28Å; I415-V417 PolarHBondContact O-N 3.31Å |
| 418 | G | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.4 | -41.4 | -171 | 0 | 0 | 0 | 0 | 0 | 113.6 | L414 I415 A421 C422 | L414-G418 PolarHBondContact O-N 3.23Å; I415-G418 PolarHBondContact O-N 3.07Å; G418-A421 PolarHBondContact O-N 2.98Å; G418-C422 PolarHBondContact O-N 3.22Å; G418-C422 PolarHBondContact O-SG 3.38Å |
| 419 | Y | 94.3 | Very high | 94.2 | Very high | 29 Ų | 29 | 20.4 Ų | 20.4 | 11% | 0.114 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.7 | -51.8 | -176.8 | 168.2 | -98.1 | 0 | 0 | 0 | 113.4 | V275 M276 F279 I415 A421 C422 N423 | V275-Y419 HydrophobicContact CG1-CD2 3.67Å; V275-Y419 HydrophobicContact CG1-CE2 3.76Å; M276-Y419 HydrophobicContact SD-CE2 4.21Å; M276-Y419 PolarHBondContact SD-OH 2.93Å; M276-Y419 VanDerWaalsContact SD-OH 3.34Å; F279-Y419 HydrophobicContact CB-CD2 3.72Å; F279-Y419 HydrophobicContact CB-CE2 3.36Å; F279-Y419 HydrophobicContact CB-CG 4.47Å; F279-Y419 AromaticContact CD2-CD1 3.84Å; F279-Y419 HydrophobicContact CD2-CD1 3.84Å; F279-Y419 HydrophobicContact CD2-CD2 4.15Å; F279-Y419 AromaticContact CD2-CE1 3.63Å; F279-Y419 HydrophobicContact CD2-CE1 3.63Å; F279-Y419 AromaticContact CD2-CE2 3.95Å; F279-Y419 HydrophobicContact CD2-CE2 3.95Å; F279-Y419 HydrophobicContact CD2-CG 4.1Å; F279-Y419 AromaticContact CD2-CZ 3.68Å; F279-Y419 HydrophobicContact CE2-CD1 4.32Å; F279-Y419 AromaticContact CE2-CE1 3.97Å; F279-Y419 HydrophobicContact CE2-CE1 3.97Å; F279-Y419 HydrophobicContact CG-CD2 4.21Å; F279-Y419 HydrophobicContact CG-CE1 4.07Å; F279-Y419 AromaticContact CG-CE2 3.7Å; F279-Y419 HydrophobicContact CG-CE2 3.7Å; F279-Y419 AromaticContact CG-CZ 3.61Å; I415-Y419 WeakPolarHBondContact O-CB 3.37Å; I415-Y419 PolarHBondContact O-N 3.33Å; Y419-A421 VanDerWaalsContact C-N 3.26Å; Y419-A421 PolarHBondContact O-N 3.09Å; Y419-C422 PolarHBondContact O-N 2.97Å; Y419-N423 HydrophobicContact CE2-CB 4.49Å; Y419-N423 VanDerWaalsContact O-CB 3.28Å; Y419-N423 WeakPolarHBondContact O-CB 3.36Å; Y419-N423 PolarHBondContact O-N 3.33Å |
| 420 | P | 93.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.4 | -39 | 178.2 | -26.5 | 36.8 | 0 | 0 | 0 | 112.7 | S316 V319 F320 G416 N423 V424 | S316-P420 VanDerWaalsContact OG-CG 3.28Å; S316-P420 WeakPolarHBondContact OG-CG 3.35Å; V319-P420 HydrophobicContact CB-CB 4.32Å; V319-P420 HydrophobicContact CG1-CB 3.96Å; F320-P420 HydrophobicContact CD1-CB 3.97Å; F320-P420 HydrophobicContact CE1-CB 3.41Å; F320-P420 VanDerWaalsContact CE1-CB 3.41Å; F320-P420 HydrophobicContact CZ-CB 3.81Å; G416-P420 WeakPolarHBondContact O-CD 3.18Å; G416-P420 WeakPolarHBondContact O-CG 3.28Å; P420-N423 PolarHBondContact O-N 2.87Å; P420-V424 WeakPolarHBondContact O-CG2 3.35Å; P420-V424 PolarHBondContact O-N 2.72Å; P420-V424 VanDerWaalsContact O-N 3.1Å |
| 421 | A | 94.6 | Very high | 94 | Very high | 9 Ų | 9 | 13.7 Ų | 13.7 | 7% | 0.074 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.8 | -52.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V319 V323 G418 Y419 N423 V424 M425 | V319-A421 HydrophobicContact CG1-CB 4.3Å; V323-A421 HydrophobicContact CG2-CB 3.7Å; G418-A421 PolarHBondContact O-N 2.98Å; Y419-A421 VanDerWaalsContact C-N 3.26Å; Y419-A421 PolarHBondContact O-N 3.09Å; A421-N423 VanDerWaalsContact C-N 3.33Å; A421-N423 PolarHBondContact O-N 2.91Å; A421-V424 PolarHBondContact O-N 3.23Å; A421-M425 WeakPolarHBondContact O-CB 3.49Å; A421-M425 VanDerWaalsContact O-CG 3.23Å; A421-M425 WeakPolarHBondContact O-CG 3.37Å; A421-M425 PolarHBondContact O-N 3.43Å |
| 422 | C | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.3 | -45 | 176.6 | -73.3 | 0 | 0 | 0 | 0 | 112.1 | V275 L336 G339 F340 I343 G418 Y419 V424 M425 S426 | V275-C422 HydrophobicContact CB-CB 4.48Å; V275-C422 HydrophobicContact CG1-CB 3.84Å; V275-C422 HydrophobicContact CG2-CB 3.7Å; L336-C422 HydrophobicContact CD1-CB 4.08Å; G339-C422 VanDerWaalsContact CA-SG 3.55Å; F340-C422 PolarHBondContact N-SG 2.86Å; I343-C422 HydrophobicContact CD1-CB 4.35Å; G418-C422 PolarHBondContact O-N 3.22Å; G418-C422 PolarHBondContact O-SG 3.38Å; Y419-C422 PolarHBondContact O-N 2.97Å; C422-V424 PolarHBondContact O-N 3.27Å; C422-M425 PolarHBondContact O-N 2.88Å; C422-S426 WeakPolarHBondContact O-CB 3.48Å; C422-S426 PolarHBondContact O-N 2.81Å; C422-S426 PolarHBondContact O-OG 2.96Å |
| 423 | N | 92.9 | Very high | 93.6 | Very high | 10 Ų | 10 | 14.7 Ų | 14.7 | 5% | 0.053 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60 | -49.3 | -177.4 | -168.6 | 23 | 0 | 0 | 0 | 111.9 | F272 Y419 P420 A421 S426 Y427 | F272-N423 WeakPolarHBondContact CE2-OD1 3.19Å; Y419-N423 HydrophobicContact CE2-CB 4.49Å; Y419-N423 VanDerWaalsContact O-CB 3.28Å; Y419-N423 WeakPolarHBondContact O-CB 3.36Å; Y419-N423 PolarHBondContact O-N 3.33Å; P420-N423 PolarHBondContact O-N 2.87Å; A421-N423 VanDerWaalsContact C-N 3.33Å; A421-N423 PolarHBondContact O-N 2.91Å; N423-S426 PolarHBondContact O-N 3.04Å; N423-Y427 WeakPolarHBondContact O-CD2 3.36Å; N423-Y427 PolarHBondContact O-N 3.38Å; N423-Y427 WeakPolarHBondContact OD1-CE2 3.44Å; N423-Y427 PolarHBondContact OD1-OH 3.07Å |
| 424 | V | 93.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -67 | -42.3 | 178.3 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | A165 F320 V323 P420 A421 C422 S426 Y427 T428 | A165-V424 HydrophobicContact CB-CG1 3.82Å; F320-V424 HydrophobicContact CD1-CG2 3.41Å; F320-V424 VanDerWaalsContact CD1-CG2 3.41Å; F320-V424 HydrophobicContact CE1-CG2 3.45Å; F320-V424 VanDerWaalsContact CE1-CG2 3.45Å; V323-V424 HydrophobicContact CG1-CB 4.37Å; V323-V424 HydrophobicContact CG1-CG1 4.14Å; P420-V424 WeakPolarHBondContact O-CG2 3.35Å; P420-V424 PolarHBondContact O-N 2.72Å; P420-V424 VanDerWaalsContact O-N 3.1Å; A421-V424 PolarHBondContact O-N 3.23Å; C422-V424 PolarHBondContact O-N 3.27Å; V424-S426 VanDerWaalsContact C-N 3.34Å; V424-S426 PolarHBondContact O-N 3.34Å; V424-Y427 PolarHBondContact O-N 2.95Å; V424-T428 WeakPolarHBondContact O-CB 3.44Å; V424-T428 PolarHBondContact O-N 3.02Å; V424-T428 PolarHBondContact O-OG1 3.01Å |
| 425 | M | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.4 | -36.6 | 179.8 | -67.4 | -58.9 | 87 | 0 | 0 | 111.6 | T161 V323 A327 D332 V335 L336 A421 C422 Y427 T428 L429 | T161-M425 HydrophobicContact CG2-CE 3.69Å; V323-M425 HydrophobicContact CG1-CE 3.22Å; V323-M425 HydrophobicContact CG1-CG 4.41Å; V323-M425 HydrophobicContact CG1-SD 4.1Å; A327-M425 HydrophobicContact CB-CE 4.21Å; A327-M425 HydrophobicContact CB-SD 4.01Å; D332-M425 HydrophobicContact CB-SD 4Å; V335-M425 HydrophobicContact CB-CG 4.06Å; V335-M425 HydrophobicContact CB-SD 3.92Å; V335-M425 HydrophobicContact CG1-CG 3.68Å; V335-M425 HydrophobicContact CG1-SD 3.8Å; L336-M425 HydrophobicContact CB-CB 3.88Å; L336-M425 HydrophobicContact CB-CG 4.41Å; L336-M425 HydrophobicContact CD1-CB 4.03Å; L336-M425 HydrophobicContact CG-CB 4.44Å; A421-M425 WeakPolarHBondContact O-CB 3.49Å; A421-M425 VanDerWaalsContact O-CG 3.23Å; A421-M425 WeakPolarHBondContact O-CG 3.37Å; A421-M425 PolarHBondContact O-N 3.43Å; C422-M425 PolarHBondContact O-N 2.88Å; M425-Y427 PolarHBondContact O-N 3.32Å; M425-T428 PolarHBondContact O-N 3.41Å; M425-L429 WeakPolarHBondContact O-CB 3.48Å; M425-L429 PolarHBondContact O-N 3.3Å |
| 426 | S | 94.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 10 Ų | 10 | 4% | 0.035 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.6 | -46.9 | 174 | -67 | 0 | 0 | 0 | 0 | 111.9 | C422 N423 V424 Y430 | C422-S426 WeakPolarHBondContact O-CB 3.48Å; C422-S426 PolarHBondContact O-N 2.81Å; C422-S426 PolarHBondContact O-OG 2.96Å; N423-S426 PolarHBondContact O-N 3.04Å; V424-S426 VanDerWaalsContact C-N 3.34Å; V424-S426 PolarHBondContact O-N 3.34Å; S426-Y430 WeakPolarHBondContact O-CB 3.49Å; S426-Y430 PolarHBondContact O-N 2.8Å |
| 427 | Y | 91.2 | Very high | 90.7 | Very high | 5 Ų | 5 | 12.4 Ų | 12.4 | 2% | 0.02 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.1 | -45.2 | 176.7 | -61.4 | -47.4 | 0 | 0 | 0 | 112.5 | R148 F272 N423 V424 M425 S431 L446 | R148-Y427 VanDerWaalsContact CZ-CZ 3.41Å; R148-Y427 VanDerWaalsContact NH2-CZ 3.29Å; R148-Y427 PolarHBondContact NH2-OH 3.36Å; F272-Y427 HydrophobicContact CD2-CE1 4.24Å; F272-Y427 HydrophobicContact CE1-CE1 4.27Å; F272-Y427 AromaticContact CE2-CE1 3.56Å; F272-Y427 HydrophobicContact CE2-CE1 3.56Å; F272-Y427 HydrophobicContact CE2-CE2 4.43Å; F272-Y427 AromaticContact CE2-CZ 3.5Å; F272-Y427 VanDerWaalsContact CE2-CZ 3.5Å; F272-Y427 WeakPolarHBondContact CE2-OH 3.26Å; F272-Y427 AromaticContact CZ-CE1 3.6Å; F272-Y427 HydrophobicContact CZ-CE1 3.6Å; F272-Y427 AromaticContact CZ-CZ 3.63Å; F272-Y427 WeakPolarHBondContact CZ-OH 3.16Å; N423-Y427 WeakPolarHBondContact O-CD2 3.36Å; N423-Y427 PolarHBondContact O-N 3.38Å; N423-Y427 WeakPolarHBondContact OD1-CE2 3.44Å; N423-Y427 PolarHBondContact OD1-OH 3.07Å; V424-Y427 PolarHBondContact O-N 2.95Å; M425-Y427 PolarHBondContact O-N 3.32Å; Y427-S431 WeakPolarHBondContact O-CB 3.48Å; Y427-S431 PolarHBondContact O-N 3.21Å; Y427-S431 PolarHBondContact O-OG 3.4Å; Y427-L446 HydrophobicContact CD1-CD2 3.57Å; Y427-L446 HydrophobicContact CE1-CD2 3.96Å |
| 428 | T | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.3 | -53.2 | -176.9 | -59.5 | 0 | 0 | 0 | 0 | 110.6 | T161 V424 M425 Y430 S431 K432 | T161-T428 HydrophobicContact CG2-CG2 4.01Å; T161-T428 WeakPolarHBondContact OG1-CG2 3.44Å; V424-T428 WeakPolarHBondContact O-CB 3.44Å; V424-T428 PolarHBondContact O-N 3.02Å; V424-T428 PolarHBondContact O-OG1 3.01Å; M425-T428 PolarHBondContact O-N 3.41Å; T428-Y430 VanDerWaalsContact C-N 3.33Å; T428-Y430 PolarHBondContact O-N 2.87Å; T428-S431 PolarHBondContact O-N 3.04Å; T428-S431 PolarHBondContact O-OG 3.23Å; T428-K432 HydrophobicContact CG2-CD 4.21Å; T428-K432 WeakPolarHBondContact O-CG 3.46Å; T428-K432 PolarHBondContact O-N 2.99Å |
| 429 | L | 92.4 | Very high | 89.3 | Confident | 7 Ų | 7 | 15 Ų | 15 | 4% | 0.037 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.9 | -45.9 | 180 | -172.4 | 63.8 | 0 | 0 | 0 | 110.7 | D332 R333 L336 M425 S431 K432 I433 L495 | D332-L429 HydrophobicContact CB-CD1 4.37Å; R333-L429 HydrophobicContact CG-CD1 4.13Å; L336-L429 HydrophobicContact CD2-CD2 3.85Å; M425-L429 WeakPolarHBondContact O-CB 3.48Å; M425-L429 PolarHBondContact O-N 3.3Å; L429-S431 PolarHBondContact O-N 2.93Å; L429-K432 PolarHBondContact O-N 3.4Å; L429-I433 HydrophobicContact CD1-CD1 4.44Å; L429-I433 HydrophobicContact CG-CD1 3.91Å; L429-I433 WeakPolarHBondContact O-CD1 3.32Å; L429-I433 VanDerWaalsContact O-CG1 3.26Å; L429-I433 WeakPolarHBondContact O-CG1 3.07Å; L429-I433 PolarHBondContact O-N 3.48Å; L429-L495 WeakPolarHBondContact CD1-O 3.35Å; L429-L495 HydrophobicContact CD2-CB 4.2Å; L429-L495 HydrophobicContact CD2-CD1 4.42Å; L429-L495 HydrophobicContact CD2-CD2 4.27Å |
| 430 | Y | 93.7 | Very high | 89 | Confident | 1 Ų | 1 | 13.7 Ų | 13.7 | 0% | 0.004 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59 | -47.7 | 177.2 | -167.2 | -107.1 | 0 | 0 | 0 | 112.2 | V265 N269 S426 T428 K432 I433 L434 Y442 M443 L446 | V265-Y430 HydrophobicContact CB-CE2 4.25Å; V265-Y430 HydrophobicContact CG1-CE2 3.77Å; V265-Y430 WeakPolarHBondContact CG1-OH 3.48Å; V265-Y430 HydrophobicContact CG2-CE2 4.4Å; N269-Y430 WeakPolarHBondContact ND2-CE2 3.31Å; N269-Y430 PolarHBondContact ND2-OH 2.93Å; N269-Y430 VanDerWaalsContact ND2-OH 3.15Å; S426-Y430 WeakPolarHBondContact O-CB 3.49Å; S426-Y430 PolarHBondContact O-N 2.8Å; T428-Y430 VanDerWaalsContact C-N 3.33Å; T428-Y430 PolarHBondContact O-N 2.87Å; Y430-K432 VanDerWaalsContact C-N 3.29Å; Y430-K432 PolarHBondContact O-N 3.44Å; Y430-I433 PolarHBondContact O-N 3.23Å; Y430-L434 HydrophobicContact CD1-CD1 3.84Å; Y430-L434 HydrophobicContact CD1-CG 4.5Å; Y430-L434 HydrophobicContact CE1-CD1 3.68Å; Y430-L434 HydrophobicContact CE1-CG 4.41Å; Y430-L434 WeakPolarHBondContact O-CG 3.49Å; Y430-L434 PolarHBondContact O-N 2.96Å; Y430-L434 VanDerWaalsContact O-N 3.16Å; Y430-Y442 WeakPolarHBondContact CE1-O 3.4Å; Y430-Y442 WeakPolarHBondContact OH-CB 3.24Å; Y430-Y442 PolarHBondContact OH-O 2.83Å; Y430-M443 HydrophobicContact CD1-CE 3.99Å; Y430-M443 HydrophobicContact CD1-SD 4.01Å; Y430-M443 HydrophobicContact CE1-SD 4.42Å; Y430-L446 HydrophobicContact CD1-CB 4.23Å; Y430-L446 HydrophobicContact CD1-CD2 3.63Å; Y430-L446 HydrophobicContact CD1-CG 4.36Å; Y430-L446 HydrophobicContact CD2-CD1 4.35Å; Y430-L446 HydrophobicContact CE1-CB 3.88Å; Y430-L446 HydrophobicContact CE1-CD2 4.17Å; Y430-L446 HydrophobicContact CE1-CG 4.46Å; Y430-L446 HydrophobicContact CE2-CD1 4.48Å; Y430-L446 HydrophobicContact CG-CD1 4.35Å; Y430-L446 HydrophobicContact CG-CD2 3.9Å |
| 431 | S | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63 | -32.6 | 177.7 | 68.1 | 0 | 0 | 0 | 0 | 113.6 | R160 Y427 T428 L429 Q439 M443 | R160-S431 WeakPolarHBondContact CD-OG 3.32Å; R160-S431 WeakPolarHBondContact CG-OG 3.5Å; Y427-S431 WeakPolarHBondContact O-CB 3.48Å; Y427-S431 PolarHBondContact O-N 3.21Å; Y427-S431 PolarHBondContact O-OG 3.4Å; T428-S431 PolarHBondContact O-N 3.04Å; T428-S431 PolarHBondContact O-OG 3.23Å; L429-S431 PolarHBondContact O-N 2.93Å; S431-Q439 PolarHBondContact O-NE2 3.19Å; S431-M443 VanDerWaalsContact CB-CE 3.45Å |
| 432 | K | 90.8 | Very high | 88.8 | Confident | 22 Ų | 22 | 18.3 Ų | 18.3 | 10% | 0.096 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -76.1 | -35.1 | 176.6 | -71.2 | -179.6 | -176.8 | 178 | 0 | 112.4 | L157 T161 D332 T428 L429 Y430 L434 G435 A497 Y498 | L157-K432 HydrophobicContact CD1-CB 4.44Å; L157-K432 HydrophobicContact CD1-CD 4.21Å; L157-K432 HydrophobicContact CD1-CG 3.99Å; L157-K432 HydrophobicContact CG-CD 4.49Å; T161-K432 PolarHBondContact OG1-NZ 2.82Å; D332-K432 IonicContact OD1-NZ 2.66Å; D332-K432 PolarHBondContact OD1-NZ 3.08Å; D332-K432 WeakPolarHBondContact OD2-CD 3.08Å; D332-K432 VanDerWaalsContact OD2-CE 3.3Å; D332-K432 WeakPolarHBondContact OD2-CE 3.45Å; D332-K432 IonicContact OD2-NZ 3.66Å; D332-K432 PolarHBondContact OD2-NZ 3.43Å; T428-K432 HydrophobicContact CG2-CD 4.21Å; T428-K432 WeakPolarHBondContact O-CG 3.46Å; T428-K432 PolarHBondContact O-N 2.99Å; L429-K432 PolarHBondContact O-N 3.4Å; Y430-K432 VanDerWaalsContact C-N 3.29Å; Y430-K432 PolarHBondContact O-N 3.44Å; K432-L434 VanDerWaalsContact C-N 3.33Å; K432-G435 PolarHBondContact O-N 3.28Å; K432-A497 HydrophobicContact CB-CB 4.08Å; K432-Y498 PolarHBondContact O-N 2.8Å |
| 433 | I | 90.4 | Very high | 88.6 | Confident | 7 Ų | 7 | 18.3 Ų | 18.3 | 4% | 0.036 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.2 | -39.1 | 175.2 | -70.9 | 161.8 | 0 | 0 | 0 | 111.1 | A264 V265 L429 Y430 G435 L495 | A264-I433 HydrophobicContact CB-CD1 4.21Å; A264-I433 HydrophobicContact CB-CG2 3.95Å; V265-I433 HydrophobicContact CG2-CG2 4.13Å; L429-I433 HydrophobicContact CD1-CD1 4.44Å; L429-I433 HydrophobicContact CG-CD1 3.91Å; L429-I433 WeakPolarHBondContact O-CD1 3.32Å; L429-I433 VanDerWaalsContact O-CG1 3.26Å; L429-I433 WeakPolarHBondContact O-CG1 3.07Å; L429-I433 PolarHBondContact O-N 3.48Å; Y430-I433 PolarHBondContact O-N 3.23Å; I433-G435 VanDerWaalsContact C-N 3.34Å; I433-G435 PolarHBondContact O-N 3.11Å; I433-L495 HydrophobicContact CD1-CD2 3.63Å |
| 434 | L | 87.3 | Confident | 88.7 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -70.2 | -28.3 | -179 | -66.3 | 173.7 | 0 | 0 | 0 | 113.7 | I260 V265 Y430 K432 Q439 Y442 M443 | I260-L434 HydrophobicContact CD1-CD2 4.08Å; I260-L434 HydrophobicContact CG2-CD2 4.17Å; V265-L434 HydrophobicContact CG2-CD2 3.96Å; Y430-L434 HydrophobicContact CD1-CD1 3.84Å; Y430-L434 HydrophobicContact CD1-CG 4.5Å; Y430-L434 HydrophobicContact CE1-CD1 3.68Å; Y430-L434 HydrophobicContact CE1-CG 4.41Å; Y430-L434 WeakPolarHBondContact O-CG 3.49Å; Y430-L434 PolarHBondContact O-N 2.96Å; Y430-L434 VanDerWaalsContact O-N 3.16Å; K432-L434 VanDerWaalsContact C-N 3.33Å; L434-Q439 HydrophobicContact CB-CG 4.15Å; L434-Q439 HydrophobicContact CD1-CB 4.1Å; L434-Q439 HydrophobicContact CD1-CG 4.09Å; L434-Y442 VanDerWaalsContact CD1-CB 3.46Å; L434-Y442 HydrophobicContact CD1-CD2 4.45Å; L434-Y442 HydrophobicContact CD1-CG 4.09Å; L434-Y442 HydrophobicContact CD2-CD1 3.73Å; L434-Y442 HydrophobicContact CD2-CD2 3.75Å; L434-Y442 HydrophobicContact CD2-CE1 4.21Å; L434-Y442 HydrophobicContact CD2-CE2 4.22Å; L434-Y442 HydrophobicContact CD2-CG 3.47Å; L434-Y442 VanDerWaalsContact CD2-CG 3.47Å; L434-Y442 HydrophobicContact CG-CG 4.43Å; L434-M443 HydrophobicContact CD1-CE 4.46Å |
| 435 | G | 80.7 | Confident | 88.8 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | -148.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K432 I433 K437 Q439 Y498 | K432-G435 PolarHBondContact O-N 3.28Å; I433-G435 VanDerWaalsContact C-N 3.34Å; I433-G435 PolarHBondContact O-N 3.11Å; G435-K437 PolarHBondContact O-N 3.45Å; G435-Q439 PolarHBondContact O-NE2 2.9Å; G435-Y498 VanDerWaalsContact CA-CB 3.5Å |
| 436 | P | 73.3 | Confident | 88.8 | Confident | 70 Ų | 70 | 25.1 Ų | 25.1 | 46% | 0.455 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -4.3 | -174.2 | 31 | -35.7 | 0 | 0 | 0 | 114.3 | Y498 | P436-Y498 HydrophobicContact CG-CE1 4.46Š|
| 437 | K | 77.6 | Confident | 88.8 | Confident | 55 Ų | 55 | 25.1 Ų | 25.1 | 24% | 0.239 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -65.2 | 152.2 | -179.6 | -66.4 | -154 | -172.3 | -179 | 0 | 111.4 | E258 I260 G435 Q439 | E258-K437 WeakPolarHBondContact O-CE 3.46Å; E258-K437 PolarHBondContact O-NZ 3.36Å; I260-K437 HydrophobicContact CD1-CB 4.14Å; I260-K437 HydrophobicContact CD1-CD 3.72Å; I260-K437 HydrophobicContact CD1-CG 4.34Å; I260-K437 HydrophobicContact CG1-CD 3.86Å; G435-K437 PolarHBondContact O-N 3.45Å; K437-Q439 WeakPolarHBondContact O-CG 3.28Å; K437-Q439 PolarHBondContact O-N 2.87Å |
| 438 | P | 77 | Confident | 89.1 | Confident | 83 Ų | 83 | 25.1 Ų | 25.1 | 54% | 0.539 | 13% | 0.125 | S | C | . | . | trans | -59.4 | 108.2 | -178.4 | 24.4 | -35.4 | 0 | 0 | 0 | 111.6 | N94 G440 | N94-P438 HydrophobicContact CB-CB 4.14Å; N94-P438 PolarHBondContact ND2-O 3.33Å; N94-P438 VanDerWaalsContact ND2-O 3.07Å; P438-G440 PolarHBondContact O-N 2.74Å | ||
| 439 | Q | 84.8 | Confident | 89.2 | Confident | 10 Ų | 10 | 26.3 Ų | 26.3 | 5% | 0.047 | 13% | 0.133 | C | C | . | . | trans | -85.3 | -4.3 | -166 | -57.1 | -162.3 | -0.8 | 0 | 0 | 114.8 | S431 L434 G435 K437 Y442 M443 | S431-Q439 PolarHBondContact O-NE2 3.19Å; L434-Q439 HydrophobicContact CB-CG 4.15Å; L434-Q439 HydrophobicContact CD1-CB 4.1Å; L434-Q439 HydrophobicContact CD1-CG 4.09Å; G435-Q439 PolarHBondContact O-NE2 2.9Å; K437-Q439 WeakPolarHBondContact O-CG 3.28Å; K437-Q439 PolarHBondContact O-N 2.87Å; Q439-Y442 PolarHBondContact O-N 2.99Å; Q439-M443 HydrophobicContact CB-CG 4.29Å; Q439-M443 WeakPolarHBondContact O-CB 3.32Å; Q439-M443 WeakPolarHBondContact O-CG 3.49Å; Q439-M443 PolarHBondContact O-N 3.36Å | ||
| 440 | G | 87.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.7 | -53 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G90 N94 S149 P438 Y442 M443 G444 | G90-G440 VanDerWaalsContact C-C 3.47Å; G90-G440 WeakPolarHBondContact CA-O 3.2Å; G90-G440 CarbonylContact O-C 3.56Å; G90-G440 WeakPolarHBondContact O-CA 3.31Å; N94-G440 WeakPolarHBondContact OD1-CA 3.22Å; N94-G440 PolarHBondContact OD1-N 2.76Å; S149-G440 VanDerWaalsContact OG-CA 3.32Å; S149-G440 WeakPolarHBondContact OG-CA 3.48Å; S149-G440 PolarHBondContact OG-N 3.31Å; S149-G440 VanDerWaalsContact OG-N 3.1Å; P438-G440 PolarHBondContact O-N 2.74Å; G440-Y442 VanDerWaalsContact C-N 3.34Å; G440-Y442 PolarHBondContact O-N 3.08Å; G440-M443 PolarHBondContact O-N 2.89Å; G440-G444 PolarHBondContact O-N 3.26Å |
| 441 | V | 90.8 | Very high | 89.4 | Confident | 35 Ų | 35 | 26.1 Ų | 26.1 | 21% | 0.212 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.6 | -45.1 | 178.1 | 175 | 0 | 0 | 0 | 0 | 111.6 | G90 L91 N94 G444 W445 | G90-V441 PolarHBondContact O-N 3.41Å; L91-V441 VanDerWaalsContact CA-CG2 3.46Å; L91-V441 HydrophobicContact CB-CG2 3.78Å; L91-V441 HydrophobicContact CD1-CG2 3.44Å; L91-V441 VanDerWaalsContact CD1-CG2 3.44Å; L91-V441 HydrophobicContact CG-CG2 4.23Å; N94-V441 WeakPolarHBondContact ND2-CG2 3.43Å; N94-V441 PolarHBondContact ND2-N 3.48Å; V441-G444 CarbonylContact O-C 3.49Å; V441-G444 WeakPolarHBondContact O-CA 3.44Å; V441-G444 PolarHBondContact O-N 3.41Å; V441-G444 VanDerWaalsContact O-N 3.16Å; V441-W445 PolarHBondContact O-N 3.06Å |
| 442 | Y | 92.6 | Very high | 89.5 | Confident | 72 Ų | 72 | 26.5 Ų | 26.5 | 28% | 0.282 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -66.1 | -45.3 | -178.5 | -70.2 | -75.4 | 0 | 0 | 0 | 111.7 | I260 V265 Y430 L434 Q439 G440 G444 W445 L446 | I260-Y442 HydrophobicContact CD1-CD2 4.49Å; I260-Y442 HydrophobicContact CD1-CE2 3.66Å; V265-Y442 HydrophobicContact CG1-CD1 4.02Å; V265-Y442 HydrophobicContact CG1-CE1 4.22Å; Y430-Y442 WeakPolarHBondContact CE1-O 3.4Å; Y430-Y442 WeakPolarHBondContact OH-CB 3.24Å; Y430-Y442 PolarHBondContact OH-O 2.83Å; L434-Y442 VanDerWaalsContact CD1-CB 3.46Å; L434-Y442 HydrophobicContact CD1-CD2 4.45Å; L434-Y442 HydrophobicContact CD1-CG 4.09Å; L434-Y442 HydrophobicContact CD2-CD1 3.73Å; L434-Y442 HydrophobicContact CD2-CD2 3.75Å; L434-Y442 HydrophobicContact CD2-CE1 4.21Å; L434-Y442 HydrophobicContact CD2-CE2 4.22Å; L434-Y442 HydrophobicContact CD2-CG 3.47Å; L434-Y442 VanDerWaalsContact CD2-CG 3.47Å; L434-Y442 HydrophobicContact CG-CG 4.43Å; Q439-Y442 PolarHBondContact O-N 2.99Å; G440-Y442 VanDerWaalsContact C-N 3.34Å; G440-Y442 PolarHBondContact O-N 3.08Å; Y442-G444 PolarHBondContact O-N 3.27Å; Y442-W445 PolarHBondContact O-N 3.23Å; Y442-L446 PolarHBondContact O-N 3.41Å |
| 443 | M | 93.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.3 | -30.9 | 172.5 | -72 | -64.3 | 174.4 | 0 | 0 | 112.1 | R148 A152 Y430 S431 L434 Q439 G440 L446 T447 | R148-M443 HydrophobicContact CB-CB 4.46Å; R148-M443 HydrophobicContact CB-CG 4.33Å; R148-M443 HydrophobicContact CB-SD 4.12Å; A152-M443 HydrophobicContact CB-CE 4.28Å; Y430-M443 HydrophobicContact CD1-CE 3.99Å; Y430-M443 HydrophobicContact CD1-SD 4.01Å; Y430-M443 HydrophobicContact CE1-SD 4.42Å; S431-M443 VanDerWaalsContact CB-CE 3.45Å; L434-M443 HydrophobicContact CD1-CE 4.46Å; Q439-M443 HydrophobicContact CB-CG 4.29Å; Q439-M443 WeakPolarHBondContact O-CB 3.32Å; Q439-M443 WeakPolarHBondContact O-CG 3.49Å; Q439-M443 PolarHBondContact O-N 3.36Å; G440-M443 PolarHBondContact O-N 2.89Å; M443-L446 HydrophobicContact SD-CD2 4.33Å; M443-T447 WeakPolarHBondContact O-CB 3.45Å; M443-T447 PolarHBondContact O-N 2.96Å; M443-T447 PolarHBondContact O-OG1 3.21Å |
| 444 | G | 94 | Very high | 89.7 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.4 | -50.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S86 G440 V441 Y442 T447 A448 | S86-G444 WeakPolarHBondContact CB-O 3.07Å; S86-G444 VanDerWaalsContact O-CA 3.29Å; S86-G444 WeakPolarHBondContact O-CA 3.47Å; G440-G444 PolarHBondContact O-N 3.26Å; V441-G444 CarbonylContact O-C 3.49Å; V441-G444 WeakPolarHBondContact O-CA 3.44Å; V441-G444 PolarHBondContact O-N 3.41Å; V441-G444 VanDerWaalsContact O-N 3.16Å; Y442-G444 PolarHBondContact O-N 3.27Å; G444-T447 PolarHBondContact O-N 3.36Å; G444-A448 WeakPolarHBondContact O-CB 3.18Å; G444-A448 PolarHBondContact O-N 3.14Å |
| 445 | W | 95.3 | Very high | 89.8 | Confident | 153 Ų | 153 | 27.7 Ų | 27.7 | 58% | 0.58 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -62.7 | -43.1 | 175.7 | -80.6 | 115.8 | 0 | 0 | 0 | 113 | P87 V441 Y442 T447 A448 S449 | P87-W445 HydrophobicContact CG-CD2 4.37Å; P87-W445 HydrophobicContact CG-CE3 4.37Å; V441-W445 PolarHBondContact O-N 3.06Å; Y442-W445 PolarHBondContact O-N 3.23Å; W445-T447 VanDerWaalsContact C-N 3.32Å; W445-T447 PolarHBondContact O-N 3.13Å; W445-A448 PolarHBondContact O-N 3.48Å; W445-S449 WeakPolarHBondContact O-CB 3.36Å; W445-S449 PolarHBondContact O-N 3.07Å |
| 446 | L | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 175.6 | -171.1 | 71.9 | 0 | 0 | 0 | 111.1 | N269 F272 Y427 Y430 Y442 M443 S449 G450 | N269-L446 VanDerWaalsContact OD1-CA 3.23Å; N269-L446 WeakPolarHBondContact OD1-CA 3.32Å; N269-L446 PolarHBondContact OD1-N 3.24Å; F272-L446 HydrophobicContact CB-CD1 3.63Å; F272-L446 HydrophobicContact CD1-CD1 3.63Å; F272-L446 HydrophobicContact CD1-CG 3.77Å; F272-L446 VanDerWaalsContact CD1-O 3.22Å; F272-L446 WeakPolarHBondContact CD1-O 3.33Å; F272-L446 HydrophobicContact CE1-CG 4.21Å; F272-L446 WeakPolarHBondContact CE1-O 3.46Å; F272-L446 HydrophobicContact CG-CD1 3.72Å; F272-L446 HydrophobicContact CG-CG 4.16Å; Y427-L446 HydrophobicContact CD1-CD2 3.57Å; Y427-L446 HydrophobicContact CE1-CD2 3.96Å; Y430-L446 HydrophobicContact CD1-CB 4.23Å; Y430-L446 HydrophobicContact CD1-CD2 3.63Å; Y430-L446 HydrophobicContact CD1-CG 4.36Å; Y430-L446 HydrophobicContact CD2-CD1 4.35Å; Y430-L446 HydrophobicContact CE1-CB 3.88Å; Y430-L446 HydrophobicContact CE1-CD2 4.17Å; Y430-L446 HydrophobicContact CE1-CG 4.46Å; Y430-L446 HydrophobicContact CE2-CD1 4.48Å; Y430-L446 HydrophobicContact CG-CD1 4.35Å; Y430-L446 HydrophobicContact CG-CD2 3.9Å; Y442-L446 PolarHBondContact O-N 3.41Å; M443-L446 HydrophobicContact SD-CD2 4.33Å; L446-S449 WeakPolarHBondContact O-CB 3.44Å; L446-S449 PolarHBondContact O-N 2.87Å; L446-G450 PolarHBondContact O-N 2.89Å; L446-G450 VanDerWaalsContact O-N 3.17Å |
| 447 | T | 94.7 | Very high | 91.2 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66 | -40.2 | 177.7 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | Q82 S86 V144 R148 M443 G444 W445 G450 S451 | Q82-T447 HydrophobicContact CG-CG2 4.49Å; S86-T447 VanDerWaalsContact OG-CG2 3.27Å; S86-T447 WeakPolarHBondContact OG-CG2 3.46Å; V144-T447 HydrophobicContact CB-CG2 4.27Å; V144-T447 HydrophobicContact CG1-CG2 3.93Å; R148-T447 PolarHBondContact NH1-OG1 3.02Å; M443-T447 WeakPolarHBondContact O-CB 3.45Å; M443-T447 PolarHBondContact O-N 2.96Å; M443-T447 PolarHBondContact O-OG1 3.21Å; G444-T447 PolarHBondContact O-N 3.36Å; W445-T447 VanDerWaalsContact C-N 3.32Å; W445-T447 PolarHBondContact O-N 3.13Å; T447-G450 PolarHBondContact O-N 3.08Å; T447-S451 PolarHBondContact O-N 2.9Å; T447-S451 PolarHBondContact O-OG 3.48Å |
| 448 | A | 95.8 | Very high | 91.8 | Very high | 6 Ų | 6 | 28 Ų | 28 | 5% | 0.05 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M83 P87 G444 W445 G450 S451 G452 | M83-A448 HydrophobicContact CG-CB 4.05Å; M83-A448 WeakPolarHBondContact O-CB 3.45Å; P87-A448 HydrophobicContact CG-CB 3.94Å; G444-A448 WeakPolarHBondContact O-CB 3.18Å; G444-A448 PolarHBondContact O-N 3.14Å; W445-A448 PolarHBondContact O-N 3.48Å; A448-G450 PolarHBondContact O-N 3.34Å; A448-S451 PolarHBondContact O-N 3.24Å; A448-G452 PolarHBondContact O-N 3.37Å |
| 449 | S | 95.6 | Very high | 92.4 | Very high | 24 Ų | 24 | 28 Ų | 28 | 17% | 0.168 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.9 | -48.2 | 174.4 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | N269 F273 W445 L446 S451 G452 A453 | N269-S449 PolarHBondContact O-OG 3.34Å; N269-S449 VanDerWaalsContact O-OG 3.08Å; F273-S449 WeakPolarHBondContact CB-OG 3.47Å; F273-S449 WeakPolarHBondContact CD2-O 3.3Å; W445-S449 WeakPolarHBondContact O-CB 3.36Å; W445-S449 PolarHBondContact O-N 3.07Å; L446-S449 WeakPolarHBondContact O-CB 3.44Å; L446-S449 PolarHBondContact O-N 2.87Å; S449-S451 PolarHBondContact O-N 3.19Å; S449-G452 PolarHBondContact O-N 2.93Å; S449-A453 PolarHBondContact O-N 3.46Å |
| 450 | G | 94.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.3 | -38 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L446 T447 A448 A453 R454 | L446-G450 PolarHBondContact O-N 2.89Å; L446-G450 VanDerWaalsContact O-N 3.17Å; T447-G450 PolarHBondContact O-N 3.08Å; A448-G450 PolarHBondContact O-N 3.34Å; G450-A453 WeakPolarHBondContact O-CB 3.22Å; G450-A453 PolarHBondContact O-N 2.92Å; G450-R454 WeakPolarHBondContact O-CG 3.35Å; G450-R454 PolarHBondContact O-N 3.29Å |
| 451 | S | 94.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.7 | -38.4 | 174.4 | -69 | 0 | 0 | 0 | 0 | 112.7 | S79 Q82 T447 A448 S449 A453 R454 T455 | S79-S451 WeakPolarHBondContact O-CB 3.17Å; Q82-S451 WeakPolarHBondContact CG-OG 3.24Å; Q82-S451 PolarHBondContact OE1-OG 3.23Å; T447-S451 PolarHBondContact O-N 2.9Å; T447-S451 PolarHBondContact O-OG 3.48Å; A448-S451 PolarHBondContact O-N 3.24Å; S449-S451 PolarHBondContact O-N 3.19Å; S451-A453 VanDerWaalsContact C-N 3.34Å; S451-R454 PolarHBondContact O-N 3.25Å; S451-T455 PolarHBondContact O-N 2.9Å; S451-T455 PolarHBondContact O-OG1 3.38Å |
| 452 | G | 94.4 | Very high | 92.7 | Very high | 9 Ų | 9 | 31.6 Ų | 31.6 | 9% | 0.093 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.2 | -45.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | A448 S449 R454 T455 L456 | A448-G452 PolarHBondContact O-N 3.37Å; S449-G452 PolarHBondContact O-N 2.93Å; G452-R454 PolarHBondContact O-N 2.92Å; G452-T455 WeakPolarHBondContact O-CB 3.47Å; G452-T455 PolarHBondContact O-N 2.91Å; G452-L456 WeakPolarHBondContact O-CG 3.32Å; G452-L456 PolarHBondContact O-N 3.42Å |
| 453 | A | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.9 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F273 M276 F277 S449 G450 S451 T455 L456 G457 | F273-A453 HydrophobicContact CD1-CB 4.42Å; F273-A453 HydrophobicContact CD2-CB 3.7Å; F273-A453 HydrophobicContact CE1-CB 4.45Å; F273-A453 HydrophobicContact CE2-CB 3.75Å; F273-A453 HydrophobicContact CG-CB 4.05Å; F273-A453 HydrophobicContact CZ-CB 4.13Å; F273-A453 WeakPolarHBondContact O-CB 3.37Å; M276-A453 HydrophobicContact CB-CB 3.75Å; F277-A453 HydrophobicContact CB-CB 3.95Å; S449-A453 PolarHBondContact O-N 3.46Å; G450-A453 WeakPolarHBondContact O-CB 3.22Å; G450-A453 PolarHBondContact O-N 2.92Å; S451-A453 VanDerWaalsContact C-N 3.34Å; A453-T455 PolarHBondContact O-N 3.29Å; A453-L456 PolarHBondContact O-N 3.36Å; A453-G457 PolarHBondContact O-N 2.89Å |
| 454 | R | 90.6 | Very high | 92.4 | Very high | 34 Ų | 34 | 34.6 Ų | 34.6 | 13% | 0.128 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.2 | -21.5 | 175.3 | -69.9 | -154.8 | -64.5 | 152.4 | -1.4 | 114.3 | F48 M276 A280 G450 S451 G452 P458 | F48-R454 VanDerWaalsContact CE1-NH1 3.27Å; M276-R454 HydrophobicContact CE-CG 4.16Å; A280-R454 HydrophobicContact CB-CB 4.39Å; A280-R454 HydrophobicContact CB-CG 4.19Å; G450-R454 WeakPolarHBondContact O-CG 3.35Å; G450-R454 PolarHBondContact O-N 3.29Å; S451-R454 PolarHBondContact O-N 3.25Å; G452-R454 PolarHBondContact O-N 2.92Å; R454-P458 WeakPolarHBondContact O-CD 3.38Å; R454-P458 WeakPolarHBondContact O-CG 3.15Å |
| 455 | T | 90.8 | Very high | 92.2 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 13% | 0.129 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -82.3 | -42 | 176 | -53.8 | 0 | 0 | 0 | 0 | 110.8 | A76 S79 L80 S451 G452 A453 | A76-T455 HydrophobicContact CB-CG2 4.13Å; S79-T455 WeakPolarHBondContact CB-OG1 3.4Å; L80-T455 HydrophobicContact CD2-CG2 3.95Å; L80-T455 HydrophobicContact CG-CG2 4.05Å; S451-T455 PolarHBondContact O-N 2.9Å; S451-T455 PolarHBondContact O-OG1 3.38Å; G452-T455 WeakPolarHBondContact O-CB 3.47Å; G452-T455 PolarHBondContact O-N 2.91Å; A453-T455 PolarHBondContact O-N 3.29Å |
| 456 | L | 92.1 | Very high | 91.8 | Very high | 95 Ų | 95 | 30.3 Ų | 30.3 | 50% | 0.497 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -83.2 | -32.2 | -175.3 | -65.5 | 173.6 | 0 | 0 | 0 | 113.4 | F273 F277 G452 A453 V459 F460 | F273-L456 HydrophobicContact CE2-CD1 4.37Å; F273-L456 HydrophobicContact CZ-CD1 4.01Å; F277-L456 HydrophobicContact CD2-CB 4.47Å; F277-L456 HydrophobicContact CE2-CB 4.07Å; G452-L456 WeakPolarHBondContact O-CG 3.32Å; G452-L456 PolarHBondContact O-N 3.42Å; A453-L456 PolarHBondContact O-N 3.36Å; L456-V459 PolarHBondContact O-N 3.28Å; L456-F460 WeakPolarHBondContact O-CB 3.47Å; L456-F460 PolarHBondContact O-N 3.3Å |
| 457 | G | 91.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.3 | -54.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F277 A453 V459 F460 V461 | F277-G457 VanDerWaalsContact CE2-CA 3.45Å; A453-G457 PolarHBondContact O-N 2.89Å; G457-V459 VanDerWaalsContact C-N 3.33Å; G457-V459 PolarHBondContact O-N 2.9Å; G457-F460 PolarHBondContact O-N 2.78Å; G457-V461 WeakPolarHBondContact O-CG1 3.43Å; G457-V461 PolarHBondContact O-N 3.22Å |
| 458 | P | 89.6 | Confident | 91.3 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 23% | 0.234 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 178.9 | -24.1 | 33.2 | 0 | 0 | 0 | 113 | T284 R454 S462 | T284-P458 HydrophobicContact CG2-CB 3.93Å; T284-P458 WeakPolarHBondContact OG1-CB 3.29Å; T284-P458 WeakPolarHBondContact OG1-CG 3.43Å; R454-P458 WeakPolarHBondContact O-CD 3.38Å; R454-P458 WeakPolarHBondContact O-CG 3.15Å; P458-S462 WeakPolarHBondContact O-CB 3.5Å; P458-S462 PolarHBondContact O-N 3.19Å |
| 459 | V | 90.1 | Very high | 91 | Very high | 84 Ų | 84 | 39.6 Ų | 39.6 | 51% | 0.509 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.1 | -47.4 | 178.5 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | L456 G457 H463 | L456-V459 PolarHBondContact O-N 3.28Å; G457-V459 VanDerWaalsContact C-N 3.33Å; G457-V459 PolarHBondContact O-N 2.9Å; V459-H463 PolarHBondContact O-CD2 3.4Å; V459-H463 PolarHBondContact O-N 3.12Å |
| 460 | F | 91.5 | Very high | 90.8 | Very high | 58 Ų | 58 | 38.5 Ų | 38.5 | 25% | 0.254 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.3 | -53.6 | 176.9 | 167.3 | -97.6 | 0 | 0 | 0 | 111.4 | F277 V281 L456 G457 S462 H463 V464 L476 | F277-F460 AromaticContact CE1-CD1 3.68Å; F277-F460 HydrophobicContact CE1-CD1 3.68Å; F277-F460 HydrophobicContact CE1-CE1 4.01Å; F277-F460 HydrophobicContact CE1-CG 4.2Å; F277-F460 HydrophobicContact CE2-CB 4.22Å; F277-F460 HydrophobicContact CZ-CB 3.64Å; F277-F460 AromaticContact CZ-CD1 3.48Å; F277-F460 HydrophobicContact CZ-CD1 3.48Å; F277-F460 VanDerWaalsContact CZ-CD1 3.48Å; F277-F460 HydrophobicContact CZ-CD2 4.27Å; F277-F460 HydrophobicContact CZ-CE1 4.18Å; F277-F460 AromaticContact CZ-CG 3.53Å; F277-F460 HydrophobicContact CZ-CG 3.53Å; V281-F460 HydrophobicContact CG2-CD1 4.15Å; L456-F460 WeakPolarHBondContact O-CB 3.47Å; L456-F460 PolarHBondContact O-N 3.3Å; G457-F460 PolarHBondContact O-N 2.78Å; F460-S462 PolarHBondContact O-N 3.07Å; F460-H463 PolarHBondContact O-N 3.46Å; F460-V464 HydrophobicContact CD2-CG2 3.96Å; F460-V464 HydrophobicContact CE1-CG2 4.49Å; F460-V464 HydrophobicContact CE2-CG2 3.69Å; F460-V464 HydrophobicContact CG-CG2 4.48Å; F460-V464 HydrophobicContact CZ-CG2 3.98Å; F460-V464 WeakPolarHBondContact O-CB 3.39Å; F460-V464 VanDerWaalsContact O-CG2 3.3Å; F460-V464 WeakPolarHBondContact O-CG2 3.3Å; F460-V464 PolarHBondContact O-N 3.06Å; F460-L476 HydrophobicContact CE2-CD1 4.32Å; F460-L476 HydrophobicContact CZ-CB 4.05Å; F460-L476 HydrophobicContact CZ-CD1 3.95Å |
| 461 | V | 90.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.9 | -38.4 | -175.7 | 73.2 | 0 | 0 | 0 | 0 | 111.4 | V281 T284 I285 G457 H463 V464 Y465 | V281-V461 HydrophobicContact CB-CB 4.33Å; V281-V461 HydrophobicContact CG1-CB 3.67Å; V281-V461 HydrophobicContact CG1-CG1 4.23Å; V281-V461 HydrophobicContact CG1-CG2 3.6Å; V281-V461 HydrophobicContact CG2-CB 4.15Å; T284-V461 HydrophobicContact CG2-CG1 3.98Å; I285-V461 HydrophobicContact CB-CG1 4.49Å; I285-V461 HydrophobicContact CB-CG2 3.93Å; I285-V461 HydrophobicContact CD1-CG2 4.01Å; I285-V461 HydrophobicContact CG1-CG2 3.99Å; I285-V461 HydrophobicContact CG2-CG2 4.44Å; G457-V461 WeakPolarHBondContact O-CG1 3.43Å; G457-V461 PolarHBondContact O-N 3.22Å; V461-H463 VanDerWaalsContact C-N 3.3Å; V461-H463 PolarHBondContact O-N 3.43Å; V461-V464 PolarHBondContact O-N 3.07Å; V461-Y465 WeakPolarHBondContact O-CA 3.31Å; V461-Y465 WeakPolarHBondContact O-CB 3.49Å; V461-Y465 PolarHBondContact O-N 3.21Å |
| 462 | S | 86.3 | Confident | 90.7 | Very high | 62 Ų | 62 | 50.2 Ų | 50.2 | 43% | 0.434 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 178.2 | -172.2 | 0 | 0 | 0 | 0 | 111.4 | P458 F460 T466 | P458-S462 WeakPolarHBondContact O-CB 3.5Å; P458-S462 PolarHBondContact O-N 3.19Å; F460-S462 PolarHBondContact O-N 3.07Å; S462-T466 WeakPolarHBondContact O-CB 3.44Å; S462-T466 WeakPolarHBondContact O-CG2 3.42Å; S462-T466 PolarHBondContact O-N 3.42Å; S462-T466 PolarHBondContact O-OG1 3.42Å |
| 463 | H | 88.4 | Confident | 90.7 | Very high | 118 Ų | 118 | 49.8 Ų | 49.8 | 55% | 0.546 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -72.7 | -47.5 | 177.2 | -82.1 | -63.1 | 0 | 0 | 0 | 112.9 | V459 F460 V461 T466 L467 | V459-H463 PolarHBondContact O-CD2 3.4Å; V459-H463 PolarHBondContact O-N 3.12Å; F460-H463 PolarHBondContact O-N 3.46Å; V461-H463 VanDerWaalsContact C-N 3.3Å; V461-H463 PolarHBondContact O-N 3.43Å; H463-T466 PolarHBondContact O-OG1 3.21Å; H463-L467 WeakPolarHBondContact O-CB 3.4Å; H463-L467 WeakPolarHBondContact O-CG 3.46Å; H463-L467 PolarHBondContact O-N 3.19Å |
| 464 | V | 91.8 | Very high | 90.7 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 12% | 0.115 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.5 | -42.2 | -177.1 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | F460 V461 L468 G469 A473 L476 | F460-V464 HydrophobicContact CD2-CG2 3.96Å; F460-V464 HydrophobicContact CE1-CG2 4.49Å; F460-V464 HydrophobicContact CE2-CG2 3.69Å; F460-V464 HydrophobicContact CG-CG2 4.48Å; F460-V464 HydrophobicContact CZ-CG2 3.98Å; F460-V464 WeakPolarHBondContact O-CB 3.39Å; F460-V464 VanDerWaalsContact O-CG2 3.3Å; F460-V464 WeakPolarHBondContact O-CG2 3.3Å; F460-V464 PolarHBondContact O-N 3.06Å; V461-V464 PolarHBondContact O-N 3.07Å; V464-L468 HydrophobicContact CG1-CD1 4.36Å; V464-L468 WeakPolarHBondContact O-CA 3.21Å; V464-L468 WeakPolarHBondContact O-CB 2.99Å; V464-L468 PolarHBondContact O-N 2.97Å; V464-G469 PolarHBondContact O-N 3.45Å; V464-A473 HydrophobicContact CG1-CB 3.94Å; V464-L476 HydrophobicContact CG1-CD1 3.96Å; V464-L476 HydrophobicContact CG2-CD1 4.42Å |
| 465 | Y | 89.7 | Confident | 90.9 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 178.9 | 179.1 | -97.1 | 0 | 0 | 0 | 112.1 | I285 L289 D292 W396 V461 L467 G469 P470 | I285-Y465 HydrophobicContact CD1-CD1 3.54Å; I285-Y465 HydrophobicContact CD1-CD2 3.55Å; I285-Y465 HydrophobicContact CD1-CE1 3.99Å; I285-Y465 HydrophobicContact CD1-CE2 3.99Å; I285-Y465 HydrophobicContact CD1-CG 3.29Å; I285-Y465 HydrophobicContact CG1-CD2 3.81Å; I285-Y465 HydrophobicContact CG1-CE2 4.09Å; I285-Y465 HydrophobicContact CG1-CG 4.09Å; L289-Y465 HydrophobicContact CD1-CE2 3.79Å; D292-Y465 WeakPolarHBondContact CB-OH 3.38Å; D292-Y465 WeakPolarHBondContact OD2-CE1 3.25Å; D292-Y465 PolarHBondContact OD2-OH 3.39Å; W396-Y465 HydrophobicContact CH2-CE1 4.37Å; W396-Y465 HydrophobicContact CH2-CE2 4.24Å; W396-Y465 AromaticContact CH2-CZ 3.77Å; W396-Y465 WeakPolarHBondContact CH2-OH 3.44Å; W396-Y465 HydrophobicContact CZ2-CD1 4.4Å; W396-Y465 AromaticContact CZ2-CE1 3.74Å; W396-Y465 HydrophobicContact CZ2-CE1 3.74Å; W396-Y465 HydrophobicContact CZ2-CE2 4.08Å; W396-Y465 AromaticContact CZ2-CZ 3.56Å; W396-Y465 PolarHBondContact NE1-O 3.3Å; V461-Y465 WeakPolarHBondContact O-CA 3.31Å; V461-Y465 WeakPolarHBondContact O-CB 3.49Å; V461-Y465 PolarHBondContact O-N 3.21Å; Y465-L467 PolarHBondContact O-N 2.83Å; Y465-G469 WeakPolarHBondContact O-CA 3.1Å; Y465-G469 PolarHBondContact O-N 2.95Å; Y465-P470 HydrophobicContact CD2-CB 4.34Å; Y465-P470 HydrophobicContact CE2-CB 4.06Å; Y465-P470 HydrophobicContact CE2-CG 4.38Å |
| 466 | T | 86.3 | Confident | 91.1 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 36% | 0.356 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.4 | -38.8 | -178.1 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | W396 S462 H463 | W396-T466 PolarHBondContact NE1-O 3.1Å; S462-T466 WeakPolarHBondContact O-CB 3.44Å; S462-T466 WeakPolarHBondContact O-CG2 3.42Å; S462-T466 PolarHBondContact O-N 3.42Å; S462-T466 PolarHBondContact O-OG1 3.42Å; H463-T466 PolarHBondContact O-OG1 3.21Å |
| 467 | L | 88.1 | Confident | 91.3 | Very high | 121 Ų | 121 | 48.7 Ų | 48.7 | 63% | 0.634 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -87.7 | -44.3 | -175.9 | -64.2 | 175.5 | 0 | 0 | 0 | 113.9 | H463 Y465 | H463-L467 WeakPolarHBondContact O-CB 3.4Å; H463-L467 WeakPolarHBondContact O-CG 3.46Å; H463-L467 PolarHBondContact O-N 3.19Å; Y465-L467 PolarHBondContact O-N 2.83Å |
| 468 | L | 90.4 | Very high | 91.5 | Very high | 84 Ų | 84 | 49.3 Ų | 49.3 | 44% | 0.44 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -109.1 | -13.4 | -170.5 | -55.3 | 178.5 | 0 | 0 | 0 | 113 | V464 W472 | V464-L468 HydrophobicContact CG1-CD1 4.36Å; V464-L468 WeakPolarHBondContact O-CA 3.21Å; V464-L468 WeakPolarHBondContact O-CB 2.99Å; V464-L468 PolarHBondContact O-N 2.97Å; L468-W472 HydrophobicContact CB-CB 3.59Å; L468-W472 HydrophobicContact CB-CG 3.88Å; L468-W472 HydrophobicContact CD1-CB 4.22Å; L468-W472 HydrophobicContact CD1-CG 4.41Å |
| 469 | G | 90.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | 81.2 | 177.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V464 Y465 R471 W472 A473 | V464-G469 PolarHBondContact O-N 3.45Å; Y465-G469 WeakPolarHBondContact O-CA 3.1Å; Y465-G469 PolarHBondContact O-N 2.95Å; G469-R471 VanDerWaalsContact C-N 3.33Å; G469-R471 PolarHBondContact O-N 3.22Å; G469-W472 PolarHBondContact O-N 3.36Å; G469-A473 PolarHBondContact O-N 2.79Å; G469-A473 VanDerWaalsContact O-N 3.13Å |
| 470 | P | 91.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.3 | -29.3 | -171.6 | 22.6 | -30.9 | 0 | 0 | 0 | 113.5 | L289 M293 W396 T400 Y465 A473 F474 | L289-P470 HydrophobicContact CD1-CB 4.07Å; M293-P470 HydrophobicContact CE-CG 3.66Å; W396-P470 VanDerWaalsContact CE3-CD 3.44Å; W396-P470 HydrophobicContact CE3-CG 4.22Å; W396-P470 HydrophobicContact CH2-CG 4.42Å; W396-P470 HydrophobicContact CZ3-CG 4.02Å; T400-P470 HydrophobicContact CG2-CG 3.81Å; Y465-P470 HydrophobicContact CD2-CB 4.34Å; Y465-P470 HydrophobicContact CE2-CB 4.06Å; Y465-P470 HydrophobicContact CE2-CG 4.38Å; P470-A473 PolarHBondContact O-N 3.45Å; P470-F474 HydrophobicContact CB-CD2 4.07Å; P470-F474 HydrophobicContact CB-CE2 3.65Å; P470-F474 HydrophobicContact CB-CZ 4.3Å; P470-F474 WeakPolarHBondContact O-CB 3.39Å; P470-F474 WeakPolarHBondContact O-CD2 3.48Å; P470-F474 WeakPolarHBondContact O-CG 3.39Å; P470-F474 PolarHBondContact O-N 2.95Å |
| 471 | R | 93.5 | Very high | 92.4 | Very high | 93 Ų | 93 | 44.9 Ų | 44.9 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.4 | -53.6 | 175.6 | -81.3 | 178.2 | 165.5 | 168.5 | -13 | 111.9 | P352 T399 T400 G469 S475 | P352-R471 HydrophobicContact CG-CB 4.41Å; P352-R471 HydrophobicContact CG-CG 3.25Å; P352-R471 PolarHBondContact O-NH2 3.44Å; T399-R471 PolarHBondContact O-NH1 3.26Å; T400-R471 HydrophobicContact CG2-CG 3.69Å; G469-R471 VanDerWaalsContact C-N 3.33Å; G469-R471 PolarHBondContact O-N 3.22Å; R471-S475 WeakPolarHBondContact O-CB 3.46Å; R471-S475 PolarHBondContact O-N 3.45Å; R471-S475 PolarHBondContact O-OG 3.44Å |
| 472 | W | 93.5 | Very high | 92.7 | Very high | 158 Ų | 158 | 47.7 Ų | 47.7 | 60% | 0.598 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -70.1 | -41.8 | -179.6 | -78.6 | 103.3 | 0 | 0 | 0 | 111.4 | L468 G469 F474 S475 L476 | L468-W472 HydrophobicContact CB-CB 3.59Å; L468-W472 HydrophobicContact CB-CG 3.88Å; L468-W472 HydrophobicContact CD1-CB 4.22Å; L468-W472 HydrophobicContact CD1-CG 4.41Å; G469-W472 PolarHBondContact O-N 3.36Å; W472-F474 PolarHBondContact O-N 2.66Å; W472-S475 PolarHBondContact O-N 3.19Å; W472-L476 WeakPolarHBondContact O-CB 3.17Å; W472-L476 VanDerWaalsContact O-CG 3.3Å; W472-L476 WeakPolarHBondContact O-CG 3.11Å; W472-L476 PolarHBondContact O-N 3.13Å |
| 473 | A | 92.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.4 | -53.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | V464 G469 P470 I477 | V464-A473 HydrophobicContact CG1-CB 3.94Å; G469-A473 PolarHBondContact O-N 2.79Å; G469-A473 VanDerWaalsContact O-N 3.13Å; P470-A473 PolarHBondContact O-N 3.45Å; A473-I477 WeakPolarHBondContact O-CG1 3.44Å; A473-I477 PolarHBondContact O-N 3.12Å |
| 474 | F | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.4 | -31 | -178.8 | -56.5 | -36 | 0 | 0 | 0 | 112.9 | I285 L289 F347 L350 L351 I403 P470 W472 I477 C478 | I285-F474 HydrophobicContact CG2-CE1 4.17Å; L289-F474 HydrophobicContact CD1-CE2 4.13Å; L289-F474 HydrophobicContact CD1-CZ 4Å; L289-F474 HydrophobicContact CD2-CE2 4.18Å; L289-F474 HydrophobicContact CD2-CZ 3.72Å; L289-F474 HydrophobicContact CG-CZ 4.48Å; F347-F474 HydrophobicContact CD1-CD1 4.21Å; F347-F474 HydrophobicContact CE1-CD1 4.27Å; L350-F474 HydrophobicContact CD2-CD1 4.03Å; L350-F474 HydrophobicContact CD2-CD2 4.14Å; L350-F474 HydrophobicContact CD2-CE1 3.81Å; L350-F474 HydrophobicContact CD2-CE2 3.93Å; L350-F474 HydrophobicContact CD2-CG 4.21Å; L350-F474 HydrophobicContact CD2-CZ 3.78Å; L350-F474 HydrophobicContact CG-CD2 3.9Å; L350-F474 HydrophobicContact CG-CE2 3.76Å; L350-F474 HydrophobicContact CG-CG 4.37Å; L350-F474 HydrophobicContact CG-CZ 4.11Å; L351-F474 HydrophobicContact CD2-CB 3.75Å; L351-F474 HydrophobicContact CG-CB 4.36Å; I403-F474 HydrophobicContact CD1-CE2 3.88Å; P470-F474 HydrophobicContact CB-CD2 4.07Å; P470-F474 HydrophobicContact CB-CE2 3.65Å; P470-F474 HydrophobicContact CB-CZ 4.3Å; P470-F474 WeakPolarHBondContact O-CB 3.39Å; P470-F474 WeakPolarHBondContact O-CD2 3.48Å; P470-F474 WeakPolarHBondContact O-CG 3.39Å; P470-F474 PolarHBondContact O-N 2.95Å; W472-F474 PolarHBondContact O-N 2.66Å; F474-I477 HydrophobicContact CD1-CD1 4.04Å; F474-I477 PolarHBondContact O-N 3.3Å; F474-C478 PolarHBondContact O-N 2.94Å; F474-C478 PolarHBondContact O-SG 2.79Å; F474-C478 VanDerWaalsContact O-SG 3.41Å |
| 475 | S | 95.4 | Very high | 93.9 | Very high | 56 Ų | 56 | 45 Ų | 45 | 39% | 0.392 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.4 | -40.1 | 174.6 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | L351 R471 W472 I477 C478 G479 | L351-S475 WeakPolarHBondContact CD2-OG 3.5Å; R471-S475 WeakPolarHBondContact O-CB 3.46Å; R471-S475 PolarHBondContact O-N 3.45Å; R471-S475 PolarHBondContact O-OG 3.44Å; W472-S475 PolarHBondContact O-N 3.19Å; S475-I477 VanDerWaalsContact C-N 3.33Å; S475-C478 WeakPolarHBondContact O-CB 3.45Å; S475-C478 PolarHBondContact O-N 3.36Å; S475-G479 PolarHBondContact O-N 2.58Å |
| 476 | L | 95.8 | Very high | 94.2 | Very high | 71 Ų | 71 | 49.4 Ų | 49.4 | 37% | 0.372 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 174.7 | -71.5 | 174 | 0 | 0 | 0 | 111.3 | F460 V464 W472 G479 M480 | F460-L476 HydrophobicContact CE2-CD1 4.32Å; F460-L476 HydrophobicContact CZ-CB 4.05Å; F460-L476 HydrophobicContact CZ-CD1 3.95Å; V464-L476 HydrophobicContact CG1-CD1 3.96Å; V464-L476 HydrophobicContact CG2-CD1 4.42Å; W472-L476 WeakPolarHBondContact O-CB 3.17Å; W472-L476 VanDerWaalsContact O-CG 3.3Å; W472-L476 WeakPolarHBondContact O-CG 3.11Å; W472-L476 PolarHBondContact O-N 3.13Å; L476-G479 PolarHBondContact O-N 3.34Å; L476-M480 WeakPolarHBondContact O-CG 3.18Å; L476-M480 PolarHBondContact O-N 3.4Å |
| 477 | I | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 173.7 | -65.4 | 167.9 | 0 | 0 | 0 | 111.2 | I278 V281 F347 A473 F474 S475 G479 M480 V481 | I278-I477 HydrophobicContact CG1-CG2 4.04Å; I278-I477 HydrophobicContact CG2-CG2 4.34Å; V281-I477 HydrophobicContact CB-CD1 4.32Å; V281-I477 HydrophobicContact CG1-CD1 3.35Å; V281-I477 HydrophobicContact CG1-CG1 4.27Å; F347-I477 HydrophobicContact CD1-CB 4.27Å; F347-I477 HydrophobicContact CD1-CD1 4.19Å; F347-I477 HydrophobicContact CD1-CG2 3.76Å; F347-I477 HydrophobicContact CD2-CG2 3.86Å; F347-I477 HydrophobicContact CE1-CB 4.39Å; F347-I477 HydrophobicContact CE1-CD1 3.68Å; F347-I477 HydrophobicContact CE1-CG2 3.75Å; F347-I477 HydrophobicContact CE2-CG2 3.88Å; F347-I477 HydrophobicContact CG-CG2 3.81Å; F347-I477 HydrophobicContact CZ-CD1 4.32Å; F347-I477 HydrophobicContact CZ-CG2 3.82Å; A473-I477 WeakPolarHBondContact O-CG1 3.44Å; A473-I477 PolarHBondContact O-N 3.12Å; F474-I477 HydrophobicContact CD1-CD1 4.04Å; F474-I477 PolarHBondContact O-N 3.3Å; S475-I477 VanDerWaalsContact C-N 3.33Å; I477-G479 VanDerWaalsContact C-N 3.26Å; I477-G479 PolarHBondContact O-N 2.98Å; I477-M480 WeakPolarHBondContact O-CB 3.3Å; I477-M480 PolarHBondContact O-N 3.33Å; I477-M480 VanDerWaalsContact O-N 3.08Å; I477-V481 HydrophobicContact CG2-CG2 4.5Å; I477-V481 WeakPolarHBondContact O-CG2 2.98Å; I477-V481 PolarHBondContact O-N 2.66Å |
| 478 | C | 96.4 | Very high | 95 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 8% | 0.081 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.7 | -43.9 | 173.3 | -75.4 | 0 | 0 | 0 | 0 | 111.3 | F344 F347 F474 S475 M480 V481 V482 | F344-C478 HydrophobicContact CD2-CB 4.32Å; F344-C478 HydrophobicContact CE2-CB 3.94Å; F347-C478 VanDerWaalsContact CB-SG 3.5Å; F474-C478 PolarHBondContact O-N 2.94Å; F474-C478 PolarHBondContact O-SG 2.79Å; F474-C478 VanDerWaalsContact O-SG 3.41Å; S475-C478 WeakPolarHBondContact O-CB 3.45Å; S475-C478 PolarHBondContact O-N 3.36Å; C478-M480 PolarHBondContact O-N 3.07Å; C478-V481 PolarHBondContact O-N 3.49Å; C478-V482 WeakPolarHBondContact O-CG2 3.43Å; C478-V482 PolarHBondContact O-N 2.87Å |
| 479 | G | 96.8 | Very high | 95.2 | Very high | 41 Ų | 41 | 43.5 Ų | 43.5 | 42% | 0.423 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S475 L476 I477 V482 L483 | S475-G479 PolarHBondContact O-N 2.58Å; L476-G479 PolarHBondContact O-N 3.34Å; I477-G479 VanDerWaalsContact C-N 3.26Å; I477-G479 PolarHBondContact O-N 2.98Å; G479-V482 PolarHBondContact O-N 3.44Å; G479-L483 WeakPolarHBondContact O-CB 3.34Å; G479-L483 PolarHBondContact O-N 3.18Å |
| 480 | M | 96.1 | Very high | 95.4 | Very high | 45 Ų | 45 | 47.7 Ų | 47.7 | 22% | 0.222 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 175 | -69.5 | 180 | 67.9 | 0 | 0 | 112.6 | F277 L476 I477 C478 L483 G484 | F277-M480 HydrophobicContact CD1-CE 3.46Å; F277-M480 VanDerWaalsContact CD1-CE 3.46Å; F277-M480 HydrophobicContact CD1-SD 3.89Å; F277-M480 HydrophobicContact CE1-CE 3.69Å; F277-M480 HydrophobicContact CE1-SD 3.62Å; F277-M480 HydrophobicContact CG-CE 4.06Å; F277-M480 HydrophobicContact CZ-CE 4.44Å; F277-M480 HydrophobicContact CZ-SD 4.5Å; L476-M480 WeakPolarHBondContact O-CG 3.18Å; L476-M480 PolarHBondContact O-N 3.4Å; I477-M480 WeakPolarHBondContact O-CB 3.3Å; I477-M480 PolarHBondContact O-N 3.33Å; I477-M480 VanDerWaalsContact O-N 3.08Å; C478-M480 PolarHBondContact O-N 3.07Å; M480-L483 PolarHBondContact O-N 2.55Å; M480-G484 PolarHBondContact O-N 3.38Å |
| 481 | V | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -46 | 175 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | I278 F340 I343 F344 I477 C478 L483 G484 V485 | I278-V481 HydrophobicContact CD1-CG2 3.38Å; I278-V481 HydrophobicContact CG1-CG2 4.44Å; F340-V481 HydrophobicContact CD1-CG1 4.18Å; F340-V481 WeakPolarHBondContact O-CG1 3.34Å; I343-V481 HydrophobicContact CG2-CG2 3.95Å; F344-V481 HydrophobicContact CB-CG1 3.66Å; F344-V481 HydrophobicContact CD2-CB 4.24Å; F344-V481 HydrophobicContact CD2-CG1 4.09Å; F344-V481 HydrophobicContact CG-CG1 4.31Å; I477-V481 HydrophobicContact CG2-CG2 4.5Å; I477-V481 WeakPolarHBondContact O-CG2 2.98Å; I477-V481 PolarHBondContact O-N 2.66Å; C478-V481 PolarHBondContact O-N 3.49Å; V481-L483 VanDerWaalsContact C-N 3.32Å; V481-L483 PolarHBondContact O-N 3.4Å; V481-G484 CarbonylContact O-C 3.54Å; V481-G484 WeakPolarHBondContact O-CA 3.42Å; V481-G484 PolarHBondContact O-N 2.96Å; V481-G484 VanDerWaalsContact O-N 3.1Å; V481-V485 WeakPolarHBondContact O-CG2 3.3Å; V481-V485 PolarHBondContact O-N 3.32Å |
| 482 | V | 97.4 | Very high | 95.5 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 36% | 0.358 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 176.4 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | F344 C478 G479 G484 V485 I486 | F344-V482 HydrophobicContact CD2-CG2 3.91Å; F344-V482 HydrophobicContact CE2-CG2 3.32Å; F344-V482 HydrophobicContact CZ-CG2 3.78Å; C478-V482 WeakPolarHBondContact O-CG2 3.43Å; C478-V482 PolarHBondContact O-N 2.87Å; G479-V482 PolarHBondContact O-N 3.44Å; V482-G484 VanDerWaalsContact C-N 3.3Å; V482-G484 PolarHBondContact O-N 2.91Å; V482-V485 PolarHBondContact O-N 3.36Å; V482-I486 HydrophobicContact CG1-CD1 3.82Å; V482-I486 HydrophobicContact CG1-CG1 4.39Å; V482-I486 WeakPolarHBondContact O-CG1 3.46Å; V482-I486 PolarHBondContact O-N 3.45Å |
| 483 | L | 96.8 | Very high | 95.2 | Very high | 108 Ų | 108 | 46.8 Ų | 46.8 | 57% | 0.565 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59.6 | -42.1 | 174.2 | -178.1 | 64.4 | 0 | 0 | 0 | 111.5 | G479 M480 V481 I486 L487 | G479-L483 WeakPolarHBondContact O-CB 3.34Å; G479-L483 PolarHBondContact O-N 3.18Å; M480-L483 PolarHBondContact O-N 2.55Å; V481-L483 VanDerWaalsContact C-N 3.32Å; V481-L483 PolarHBondContact O-N 3.4Å; L483-I486 PolarHBondContact O-N 2.95Å; L483-L487 WeakPolarHBondContact O-CB 3.35Å; L483-L487 PolarHBondContact O-N 3.12Å |
| 484 | G | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L271 M480 V481 V482 L487 L488 | L271-G484 WeakPolarHBondContact CD2-O 3.15Å; M480-G484 PolarHBondContact O-N 3.38Å; V481-G484 CarbonylContact O-C 3.54Å; V481-G484 WeakPolarHBondContact O-CA 3.42Å; V481-G484 PolarHBondContact O-N 2.96Å; V481-G484 VanDerWaalsContact O-N 3.1Å; V482-G484 VanDerWaalsContact C-N 3.3Å; V482-G484 PolarHBondContact O-N 2.91Å; G484-L487 PolarHBondContact O-N 3.38Å; G484-L488 VanDerWaalsContact O-CB 3.32Å; G484-L488 WeakPolarHBondContact O-CB 3.39Å; G484-L488 PolarHBondContact O-N 3.49Å |
| 485 | V | 97 | Very high | 94.8 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 175.4 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | L337 F340 V481 V482 L487 L488 L489 | L337-V485 HydrophobicContact CD1-CG1 3.9Å; F340-V485 HydrophobicContact CB-CG2 3.74Å; F340-V485 HydrophobicContact CG-CG2 4.38Å; V481-V485 WeakPolarHBondContact O-CG2 3.3Å; V481-V485 PolarHBondContact O-N 3.32Å; V482-V485 PolarHBondContact O-N 3.36Å; V485-L487 VanDerWaalsContact C-N 3.33Å; V485-L487 PolarHBondContact O-N 3.46Å; V485-L488 PolarHBondContact O-N 3.38Å; V485-L489 HydrophobicContact CG1-CD1 3.86Å; V485-L489 HydrophobicContact CG1-CG 4.34Å; V485-L489 WeakPolarHBondContact O-CB 3.24Å; V485-L489 VanDerWaalsContact O-CG 3.3Å; V485-L489 WeakPolarHBondContact O-CG 3.49Å; V485-L489 PolarHBondContact O-N 2.86Å |
| 486 | I | 97 | Very high | 94.4 | Very high | 97 Ų | 97 | 51.7 Ų | 51.7 | 50% | 0.497 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 177 | -68 | 167 | 0 | 0 | 0 | 110.3 | V482 L483 L488 L489 S490 | V482-I486 HydrophobicContact CG1-CD1 3.82Å; V482-I486 HydrophobicContact CG1-CG1 4.39Å; V482-I486 WeakPolarHBondContact O-CG1 3.46Å; V482-I486 PolarHBondContact O-N 3.45Å; L483-I486 PolarHBondContact O-N 2.95Å; I486-L488 PolarHBondContact O-N 3.5Å; I486-L489 PolarHBondContact O-N 2.89Å; I486-S490 VanDerWaalsContact O-CB 3.3Å; I486-S490 WeakPolarHBondContact O-CB 3.41Å; I486-S490 PolarHBondContact O-N 3.13Å; I486-S490 PolarHBondContact O-OG 2.91Å |
| 487 | L | 96.2 | Very high | 93.8 | Very high | 47 Ų | 47 | 48.9 Ų | 48.9 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -45.8 | 177.6 | -169 | 80.3 | 0 | 0 | 0 | 111.1 | T267 V270 L271 L483 G484 V485 S490 S491 | T267-L487 HydrophobicContact CG2-CD2 3.86Å; T267-L487 HydrophobicContact CG2-CG 3.87Å; V270-L487 HydrophobicContact CB-CD2 3.96Å; V270-L487 HydrophobicContact CG1-CD2 3.75Å; L271-L487 HydrophobicContact CD2-CB 4.32Å; L271-L487 HydrophobicContact CD2-CD2 3.96Å; L271-L487 HydrophobicContact CG-CD2 4.08Å; L483-L487 WeakPolarHBondContact O-CB 3.35Å; L483-L487 PolarHBondContact O-N 3.12Å; G484-L487 PolarHBondContact O-N 3.38Å; V485-L487 VanDerWaalsContact C-N 3.33Å; V485-L487 PolarHBondContact O-N 3.46Å; L487-S490 PolarHBondContact O-N 3.33Å; L487-S490 PolarHBondContact O-OG 3.28Å; L487-S491 WeakPolarHBondContact O-CB 3.27Å; L487-S491 PolarHBondContact O-N 3.09Å; L487-S491 PolarHBondContact O-OG 3.14Å |
| 488 | L | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 177.2 | 177.2 | 59.1 | 0 | 0 | 0 | 111.9 | L271 L336 L337 F340 G484 V485 I486 S491 Y492 L495 | L271-L488 HydrophobicContact CD1-CB 4.17Å; L271-L488 HydrophobicContact CD1-CD1 3.96Å; L271-L488 HydrophobicContact CD2-CB 4.26Å; L336-L488 HydrophobicContact CB-CD2 4.49Å; L336-L488 HydrophobicContact CD2-CD1 4Å; L336-L488 HydrophobicContact CD2-CD2 4.31Å; L336-L488 HydrophobicContact CG-CD2 4.04Å; L337-L488 HydrophobicContact CB-CD2 3.8Å; L337-L488 HydrophobicContact CD1-CD2 3.84Å; L337-L488 HydrophobicContact CG-CD2 4.43Å; F340-L488 HydrophobicContact CD2-CD2 4.14Å; G484-L488 VanDerWaalsContact O-CB 3.32Å; G484-L488 WeakPolarHBondContact O-CB 3.39Å; G484-L488 PolarHBondContact O-N 3.49Å; V485-L488 PolarHBondContact O-N 3.38Å; I486-L488 PolarHBondContact O-N 3.5Å; L488-S491 CarbonylContact O-C 3.54Å; L488-S491 PolarHBondContact O-N 3.31Å; L488-Y492 VanDerWaalsContact O-CA 3.31Å; L488-Y492 WeakPolarHBondContact O-CA 3.26Å; L488-Y492 WeakPolarHBondContact O-CB 3.08Å; L488-Y492 PolarHBondContact O-N 3.24Å; L488-L495 HydrophobicContact CD1-CD1 3.45Å; L488-L495 VanDerWaalsContact CD1-CD1 3.45Å |
| 489 | L | 95.4 | Very high | 91.9 | Very high | 92 Ų | 92 | 49.1 Ų | 49.1 | 48% | 0.482 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 178.3 | -70 | 173.9 | 0 | 0 | 0 | 112 | L337 V485 I486 S491 Y492 | L337-L489 HydrophobicContact CD1-CD2 4.24Å; L337-L489 HydrophobicContact CD1-CG 4.36Å; L337-L489 HydrophobicContact CD2-CD2 3.98Å; V485-L489 HydrophobicContact CG1-CD1 3.86Å; V485-L489 HydrophobicContact CG1-CG 4.34Å; V485-L489 WeakPolarHBondContact O-CB 3.24Å; V485-L489 VanDerWaalsContact O-CG 3.3Å; V485-L489 WeakPolarHBondContact O-CG 3.49Å; V485-L489 PolarHBondContact O-N 2.86Å; I486-L489 PolarHBondContact O-N 2.89Å; L489-S491 VanDerWaalsContact C-N 3.26Å; L489-S491 PolarHBondContact O-N 3.23Å; L489-Y492 VanDerWaalsContact O-CB 3.22Å; L489-Y492 WeakPolarHBondContact O-CB 3.07Å; L489-Y492 PolarHBondContact O-N 3.22Å |
| 490 | S | 94.8 | Very high | 91 | Very high | 88 Ų | 88 | 48.7 Ų | 48.7 | 62% | 0.615 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -62.5 | -33.9 | 178.3 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | I486 L487 | I486-S490 VanDerWaalsContact O-CB 3.3Å; I486-S490 WeakPolarHBondContact O-CB 3.41Å; I486-S490 PolarHBondContact O-N 3.13Å; I486-S490 PolarHBondContact O-OG 2.91Å; L487-S490 PolarHBondContact O-N 3.33Å; L487-S490 PolarHBondContact O-OG 3.28Å |
| 491 | S | 93.2 | Very high | 90.1 | Very high | 10 Ų | 10 | 51.4 Ų | 51.4 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 8.7 | 179.9 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | T267 L487 L488 L489 H493 R494 L495 | T267-S491 PolarHBondContact OG1-OG 3.25Å; L487-S491 WeakPolarHBondContact O-CB 3.27Å; L487-S491 PolarHBondContact O-N 3.09Å; L487-S491 PolarHBondContact O-OG 3.14Å; L488-S491 CarbonylContact O-C 3.54Å; L488-S491 PolarHBondContact O-N 3.31Å; L489-S491 VanDerWaalsContact C-N 3.26Å; L489-S491 PolarHBondContact O-N 3.23Å; S491-H493 VanDerWaalsContact C-N 3.28Å; S491-H493 PolarHBondContact O-N 3.28Å; S491-R494 WeakPolarHBondContact O-CA 3.49Å; S491-R494 PolarHBondContact O-N 3.17Å; S491-L495 WeakPolarHBondContact O-CG 3.45Å; S491-L495 PolarHBondContact O-N 2.02Å; S491-L495 VanDerWaalsContact O-N 3.13Å |
| 492 | Y | 92.5 | Very high | 89 | Confident | 59 Ų | 59 | 53.9 Ų | 53.9 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -38.4 | -167.7 | -168.5 | -91.2 | 0 | 0 | 0 | 113.2 | R333 P334 L488 L489 R494 | R333-Y492 HydrophobicContact CB-CD2 4.33Å; R333-Y492 HydrophobicContact CB-CE2 3.57Å; R333-Y492 WeakPolarHBondContact CD-O 3.33Å; R333-Y492 HydrophobicContact CG-CE2 4.44Å; R333-Y492 PolarHBondContact NH1-O 3.21Å; P334-Y492 WeakPolarHBondContact CG-OH 3.36Å; L488-Y492 VanDerWaalsContact O-CA 3.31Å; L488-Y492 WeakPolarHBondContact O-CA 3.26Å; L488-Y492 WeakPolarHBondContact O-CB 3.08Å; L488-Y492 PolarHBondContact O-N 3.24Å; L489-Y492 VanDerWaalsContact O-CB 3.22Å; L489-Y492 WeakPolarHBondContact O-CB 3.07Å; L489-Y492 PolarHBondContact O-N 3.22Å; Y492-R494 VanDerWaalsContact C-N 3.3Å; Y492-R494 PolarHBondContact O-N 3.03Å |
| 493 | H | 88.7 | Confident | 87.8 | Confident | 164 Ų | 164 | 54.3 Ų | 54.3 | 76% | 0.759 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -21.6 | 177.2 | -71.7 | -74.9 | 0 | 0 | 0 | 113.7 | S491 | S491-H493 VanDerWaalsContact C-N 3.28Å; S491-H493 PolarHBondContact O-N 3.28Å |
| 494 | R | 89 | Confident | 86.3 | Confident | 126 Ų | 126 | 55.6 Ų | 55.6 | 48% | 0.475 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -23.4 | 179.7 | -63.1 | -171 | 179.2 | -146.9 | 3 | 113.1 | A264 S491 Y492 I496 | A264-R494 HydrophobicContact CB-CB 4.38Å; S491-R494 WeakPolarHBondContact O-CA 3.49Å; S491-R494 PolarHBondContact O-N 3.17Å; Y492-R494 VanDerWaalsContact C-N 3.3Å; Y492-R494 PolarHBondContact O-N 3.03Å; R494-I496 PolarHBondContact O-N 3.35Å |
| 495 | L | 88.4 | Confident | 84.8 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | trans | -79.9 | 50 | -179.5 | -66.4 | 168.6 | 0 | 0 | 0 | 112.1 | A264 T267 S268 R333 L429 I433 L488 S491 | A264-L495 HydrophobicContact CB-CD2 4.16Å; T267-L495 HydrophobicContact CG2-CD1 4.39Å; T267-L495 HydrophobicContact CG2-CD2 4.39Å; S268-L495 WeakPolarHBondContact OG-CD2 3.06Å; R333-L495 VanDerWaalsContact CD-O 3.23Å; R333-L495 WeakPolarHBondContact CD-O 3.41Å; R333-L495 HydrophobicContact CG-CB 4.4Å; R333-L495 WeakPolarHBondContact CG-O 3.2Å; L429-L495 WeakPolarHBondContact CD1-O 3.35Å; L429-L495 HydrophobicContact CD2-CB 4.2Å; L429-L495 HydrophobicContact CD2-CD1 4.42Å; L429-L495 HydrophobicContact CD2-CD2 4.27Å; I433-L495 HydrophobicContact CD1-CD2 3.63Å; L488-L495 HydrophobicContact CD1-CD1 3.45Å; L488-L495 VanDerWaalsContact CD1-CD1 3.45Å; S491-L495 WeakPolarHBondContact O-CG 3.45Å; S491-L495 PolarHBondContact O-N 2.02Å; S491-L495 VanDerWaalsContact O-N 3.13Å | ||
| 496 | I | 86.9 | Confident | 82.9 | Confident | 31 Ų | 31 | 63.5 Ų | 63.5 | 16% | 0.159 | 33% | 0.329 | C | S | . | . | trans | -106.5 | 157.1 | 178.5 | 53.7 | 173.7 | 0 | 0 | 0 | 110.7 | R494 R501 | R494-I496 PolarHBondContact O-N 3.35Å; I496-R501 HydrophobicContact CD1-CB 3.68Å; I496-R501 HydrophobicContact CD1-CG 4.06Å; I496-R501 HydrophobicContact CG1-CB 4.05Å | ||
| 497 | A | 83.1 | Confident | 80.9 | Confident | 13 Ų | 13 | 66.7 Ų | 66.7 | 11% | 0.107 | 34% | 0.341 | C | S | . | . | trans | -61.8 | 149.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L157 K432 S499 V500 R501 | L157-A497 HydrophobicContact CD1-CB 3.9Å; K432-A497 HydrophobicContact CB-CB 4.08Å; A497-S499 VanDerWaalsContact C-N 3.32Å; A497-S499 PolarHBondContact O-N 3.46Å; A497-V500 HydrophobicContact CB-CB 4.48Å; A497-V500 HydrophobicContact CB-CG2 4.13Å; A497-V500 PolarHBondContact O-N 3.17Å; A497-V500 VanDerWaalsContact O-N 3.14Å; A497-R501 PolarHBondContact O-N 2.98Å | ||
| 498 | Y | 80.3 | Confident | 80.1 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 6% | 0.063 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -54 | -45.7 | -179.6 | -178.1 | -85.3 | 0 | 0 | 0 | 112.6 | E258 K432 G435 P436 R501 H502 | E258-Y498 WeakPolarHBondContact CB-OH 3.43Å; E258-Y498 PolarHBondContact OE2-OH 3.48Å; K432-Y498 PolarHBondContact O-N 2.8Å; G435-Y498 VanDerWaalsContact CA-CB 3.5Å; P436-Y498 HydrophobicContact CG-CE1 4.46Å; Y498-R501 PolarHBondContact O-N 3.28Å; Y498-H502 AromaticContact CD2-CE1 3.96Å; Y498-H502 AromaticContact CE1-ND1 3.86Å; Y498-H502 AromaticContact CE2-CE1 3.6Å; Y498-H502 AromaticContact CZ-CE1 3.7Å; Y498-H502 AromaticContact CZ-ND1 3.85Å; Y498-H502 PolarHBondContact O-N 2.94Å; Y498-H502 PolarHBondContact O-ND1 2.86Å |
| 499 | S | 72.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 176.1 | 45.5 | 0 | 0 | 0 | 0 | 113.9 | E234 A497 H502 G503 R504 | E234-S499 VanDerWaalsContact OE2-CB 3.25Å; E234-S499 WeakPolarHBondContact OE2-CB 3.38Å; A497-S499 VanDerWaalsContact C-N 3.32Å; A497-S499 PolarHBondContact O-N 3.46Å; S499-H502 PolarHBondContact O-N 3.05Å; S499-G503 PolarHBondContact O-N 3.21Å; S499-R504 PolarHBondContact O-N 3.03Å |
| 500 | V | 78 | Confident | 78.5 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 19% | 0.194 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.8 | -40.7 | -178.4 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | A497 H502 G503 E507 | A497-V500 HydrophobicContact CB-CB 4.48Å; A497-V500 HydrophobicContact CB-CG2 4.13Å; A497-V500 PolarHBondContact O-N 3.17Å; A497-V500 VanDerWaalsContact O-N 3.14Å; V500-H502 PolarHBondContact O-N 3.37Å; V500-G503 PolarHBondContact O-N 3.44Å; V500-G503 VanDerWaalsContact O-N 3.13Å; V500-E507 HydrophobicContact CG1-CB 4.21Å; V500-E507 HydrophobicContact CG2-CB 4.42Å |
| 501 | R | 76.8 | Confident | 77.5 | Confident | 103 Ų | 103 | 69 Ų | 69 | 39% | 0.389 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.3 | -35.9 | 177.8 | -172.2 | 178.3 | -176.9 | -145.1 | 2.9 | 113 | T259 D261 I496 A497 Y498 | T259-R501 PolarHBondContact O-NH1 3.18Å; D261-R501 IonicContact OD2-NH2 3.91Å; I496-R501 HydrophobicContact CD1-CB 3.68Å; I496-R501 HydrophobicContact CD1-CG 4.06Å; I496-R501 HydrophobicContact CG1-CB 4.05Å; A497-R501 PolarHBondContact O-N 2.98Å; Y498-R501 PolarHBondContact O-N 3.28Å |
| 502 | H | 73.8 | Confident | 76.5 | Confident | 52 Ų | 52 | 72.7 Ų | 72.7 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 15.9 | -178.6 | -57.9 | 95.3 | 0 | 0 | 0 | 112.5 | E258 Y498 S499 V500 R504 | E258-H502 VanDerWaalsContact CD-CG 3.47Å; E258-H502 VanDerWaalsContact CG-CD2 3.5Å; E258-H502 WeakPolarHBondContact CG-CD2 3.43Å; E258-H502 IonicContact OE1-CD2 3.5Å; E258-H502 PolarHBondContact OE1-CD2 2.84Å; E258-H502 IonicContact OE1-CG 2.74Å; E258-H502 IonicContact OE1-NE2 3.81Å; E258-H502 IonicContact OE2-CD2 3.84Å; E258-H502 PolarHBondContact OE2-CD2 3.34Å; E258-H502 IonicContact OE2-CE1 2.99Å; E258-H502 IonicContact OE2-CG 2.65Å; E258-H502 IonicContact OE2-ND1 3.11Å; E258-H502 IonicContact OE2-NE2 3.89Å; Y498-H502 AromaticContact CD2-CE1 3.96Å; Y498-H502 AromaticContact CE1-ND1 3.86Å; Y498-H502 AromaticContact CE2-CE1 3.6Å; Y498-H502 AromaticContact CZ-CE1 3.7Å; Y498-H502 AromaticContact CZ-ND1 3.85Å; Y498-H502 PolarHBondContact O-N 2.94Å; Y498-H502 PolarHBondContact O-ND1 2.86Å; S499-H502 PolarHBondContact O-N 3.05Å; V500-H502 PolarHBondContact O-N 3.37Å; H502-R504 HydrophobicContact CB-CG 4.49Å; H502-R504 PolarHBondContact O-N 2.95Å |
| 503 | G | 70.6 | Confident | 75.5 | Confident | 68 Ų | 68 | 73.6 Ų | 73.6 | 70% | 0.701 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 15.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S499 V500 | S499-G503 PolarHBondContact O-N 3.21Å; V500-G503 PolarHBondContact O-N 3.44Å; V500-G503 VanDerWaalsContact O-N 3.13Å |
| 504 | R | 66.1 | Low | 74.5 | Confident | 134 Ų | 134 | 67.1 Ų | 67.1 | 51% | 0.506 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -79.2 | -23.7 | -178.8 | -57.6 | -174.5 | -163.1 | -165.8 | 0.8 | 112.6 | E258 S499 H502 | E258-R504 IonicContact OE1-NH2 3.77Å; E258-R504 IonicContact OE2-CZ 3.29Å; E258-R504 IonicContact OE2-NH2 3.31Å; E258-R504 PolarHBondContact OE2-NH2 2.98Å; S499-R504 PolarHBondContact O-N 3.03Å; H502-R504 HydrophobicContact CB-CG 4.49Å; H502-R504 PolarHBondContact O-N 2.95Å |
| 505 | I | 65.1 | Low | 73.4 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -141.4 | 139.1 | -179.6 | -59.5 | -179.9 | 0 | 0 | 0 | 108.9 | ||
| 506 | V | 57.1 | Low | 72.1 | Confident | 141 Ų | 141 | 67.8 Ų | 67.8 | 86% | 0.855 | 36% | 0.357 | S | S | * | . | trans | -87.7 | 130.4 | 169.5 | -176 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 507 | E | 55.1 | Low | 70.8 | Confident | 163 Ų | 163 | 71.1 Ų | 71.1 | 76% | 0.762 | 38% | 0.375 | S | S | * | . | trans | -65.2 | 0 | -173.2 | -156.6 | 177.5 | 179.5 | 0 | 0 | 114.3 | R333 V500 | R333-E507 IonicContact CZ-OE1 3.45Å; R333-E507 IonicContact CZ-OE2 3.9Å; R333-E507 IonicContact NE-OE1 3.47Å; R333-E507 IonicContact NH2-OE1 3.4Å; R333-E507 PolarHBondContact NH2-OE1 3.39Å; R333-E507 IonicContact NH2-OE2 3.78Å; R333-E507 PolarHBondContact NH2-OE2 3.27Å; V500-E507 HydrophobicContact CG1-CB 4.21Å; V500-E507 HydrophobicContact CG2-CB 4.42Å |
Retrieved 507 of 507 residues in 1145.4 ms
(Link to these results)