| 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 | 53.8 | Low | 70.5 | Confident | 211 Ų | 211 | 90.4 Ų | 90.4 | 100% | 1.039 | 52% | 0.521 | S | S | * | . | 0 | -44.9 | 0 | -87.9 | 177 | 174.1 | 0 | 0 | 113.1 | E3 A4 N5 | M1-E3 PolarHBondContact O-N 3.12Å; M1-A4 PolarHBondContact O-N 3.47Å; M1-N5 PolarHBondContact O-N 3.16Å | |||
| 2 | A | 60 | Low | 72 | Confident | 76 Ų | 76 | 89.3 Ų | 89.3 | 63% | 0.628 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.4 | -41 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A4 N5 T6 | A2-A4 PolarHBondContact O-N 2.74Å; A2-N5 PolarHBondContact O-N 3.32Å; A2-T6 PolarHBondContact O-N 2.88Å; A2-T6 VanDerWaalsContact O-N 3.15Å; A2-T6 PolarHBondContact O-OG1 3.49Å |
| 3 | E | 58.8 | Low | 73.3 | Confident | 170 Ų | 170 | 91.4 Ų | 91.4 | 79% | 0.794 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.9 | -39.3 | 178 | -72.1 | -180 | 156.9 | 0 | 0 | 112.9 | M1 N5 T6 C7 | M1-E3 PolarHBondContact O-N 3.12Å; E3-N5 PolarHBondContact O-N 2.93Å; E3-T6 PolarHBondContact O-N 3.44Å; E3-C7 VanDerWaalsContact O-CB 3.3Å; E3-C7 WeakPolarHBondContact O-CB 3.26Å; E3-C7 PolarHBondContact O-N 3.29Å |
| 4 | A | 62.5 | Low | 74.3 | Confident | 55 Ų | 55 | 86.2 Ų | 86.2 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65 | -38.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1 A2 C7 N8 | M1-A4 PolarHBondContact O-N 3.47Å; A2-A4 PolarHBondContact O-N 2.74Å; A4-C7 WeakPolarHBondContact O-CB 3.4Å; A4-C7 PolarHBondContact O-N 3.35Å; A4-N8 PolarHBondContact O-N 2.97Å; A4-N8 PolarHBondContact O-ND2 3.36Å |
| 5 | N | 68.6 | Low | 75.3 | Confident | 114 Ų | 114 | 85.3 Ų | 85.3 | 61% | 0.61 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.7 | -40.1 | 175.5 | -71 | -10.9 | 0 | 0 | 0 | 111.8 | M1 A2 E3 N8 S9 | M1-N5 PolarHBondContact O-N 3.16Å; A2-N5 PolarHBondContact O-N 3.32Å; E3-N5 PolarHBondContact O-N 2.93Å; N5-N8 PolarHBondContact O-N 3.32Å; N5-S9 PolarHBondContact O-N 2.81Å |
| 6 | T | 69.4 | Low | 76.4 | Confident | 92 Ų | 92 | 85.9 Ų | 85.9 | 56% | 0.564 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.6 | -44 | 177.3 | -51.1 | 0 | 0 | 0 | 0 | 110.8 | A2 E3 S9 F10 | A2-T6 PolarHBondContact O-N 2.88Å; A2-T6 VanDerWaalsContact O-N 3.15Å; A2-T6 PolarHBondContact O-OG1 3.49Å; E3-T6 PolarHBondContact O-N 3.44Å; T6-S9 PolarHBondContact O-N 2.91Å; T6-S9 PolarHBondContact O-OG 2.84Å; T6-F10 PolarHBondContact O-N 2.7Å |
| 7 | C | 71.4 | Confident | 77.3 | Confident | 46 Ų | 46 | 82.4 Ų | 82.4 | 31% | 0.311 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -56.2 | -51.3 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 112.4 | E3 A4 S9 F10 V11 Y98 | E3-C7 VanDerWaalsContact O-CB 3.3Å; E3-C7 WeakPolarHBondContact O-CB 3.26Å; E3-C7 PolarHBondContact O-N 3.29Å; A4-C7 WeakPolarHBondContact O-CB 3.4Å; A4-C7 PolarHBondContact O-N 3.35Å; C7-S9 VanDerWaalsContact C-N 3.31Å; C7-S9 PolarHBondContact O-N 2.78Å; C7-F10 PolarHBondContact O-N 2.87Å; C7-V11 WeakPolarHBondContact O-CG2 3.28Å; C7-V11 PolarHBondContact O-N 2.87Å; C7-Y98 PolarHBondContact SG-OH 3.19Å |
| 8 | N | 79.9 | Confident | 78.1 | Confident | 104 Ų | 104 | 79.7 Ų | 79.7 | 56% | 0.556 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62 | -37.9 | 177.1 | -75.4 | -40 | 0 | 0 | 0 | 112.6 | A4 N5 F10 V11 T12 | A4-N8 PolarHBondContact O-N 2.97Å; A4-N8 PolarHBondContact O-ND2 3.36Å; N5-N8 PolarHBondContact O-N 3.32Å; N8-F10 VanDerWaalsContact C-N 3.33Å; N8-F10 PolarHBondContact O-N 3.37Å; N8-V11 PolarHBondContact O-N 2.94Å; N8-T12 WeakPolarHBondContact O-CG2 3.41Å; N8-T12 PolarHBondContact O-N 2.88Å; N8-T12 VanDerWaalsContact O-N 3.11Å; N8-T12 PolarHBondContact O-OG1 3.41Å |
| 9 | S | 83.6 | Confident | 78.9 | Confident | 49 Ų | 49 | 82.5 Ų | 82.5 | 34% | 0.343 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.9 | -34 | 176.9 | 82.6 | 0 | 0 | 0 | 0 | 112.9 | N5 T6 C7 T12 K13 | N5-S9 PolarHBondContact O-N 2.81Å; T6-S9 PolarHBondContact O-N 2.91Å; T6-S9 PolarHBondContact O-OG 2.84Å; C7-S9 VanDerWaalsContact C-N 3.31Å; C7-S9 PolarHBondContact O-N 2.78Å; S9-T12 WeakPolarHBondContact CA-OG1 3.26Å; S9-T12 PolarHBondContact O-OG1 3.31Å; S9-K13 WeakPolarHBondContact O-CB 3.15Å; S9-K13 VanDerWaalsContact O-CG 3.27Å; S9-K13 WeakPolarHBondContact O-CG 3.36Å; S9-K13 PolarHBondContact O-N 2.9Å |
| 10 | F | 83.3 | Confident | 79.6 | Confident | 22 Ų | 22 | 84.8 Ų | 84.8 | 10% | 0.096 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.6 | -49.8 | 175.4 | 168.7 | -90.8 | 0 | 0 | 0 | 110.6 | T6 C7 N8 T12 K13 W14 L92 L93 S96 Y98 | T6-F10 PolarHBondContact O-N 2.7Å; C7-F10 PolarHBondContact O-N 2.87Å; N8-F10 VanDerWaalsContact C-N 3.33Å; N8-F10 PolarHBondContact O-N 3.37Å; F10-T12 VanDerWaalsContact C-N 3.31Å; F10-T12 PolarHBondContact O-N 3.44Å; F10-K13 PolarHBondContact O-N 3.3Å; F10-W14 HydrophobicContact CE1-CB 4.24Å; F10-W14 HydrophobicContact CE1-CG 4.38Å; F10-W14 HydrophobicContact CE2-CE3 4.45Å; F10-W14 HydrophobicContact CZ-CB 4.3Å; F10-W14 HydrophobicContact CZ-CD2 4.23Å; F10-W14 HydrophobicContact CZ-CE3 4.05Å; F10-W14 HydrophobicContact CZ-CG 4.34Å; F10-W14 WeakPolarHBondContact O-CB 3.23Å; F10-W14 PolarHBondContact O-N 3.48Å; F10-L92 HydrophobicContact CD2-CB 4.46Å; F10-L92 HydrophobicContact CE2-CB 4Å; F10-L92 VanDerWaalsContact CE2-O 3.31Å; F10-L92 WeakPolarHBondContact CE2-O 3.27Å; F10-L93 HydrophobicContact CZ-CD2 3.99Å; F10-S96 WeakPolarHBondContact CE2-OG 3.03Å; F10-Y98 AromaticContact CD1-CD2 3.24Å; F10-Y98 HydrophobicContact CD1-CD2 3.24Å; F10-Y98 AromaticContact CD1-CE2 3.38Å; F10-Y98 HydrophobicContact CD1-CE2 3.38Å; F10-Y98 HydrophobicContact CD1-CG 4.11Å; F10-Y98 HydrophobicContact CE1-CD1 4.47Å; F10-Y98 AromaticContact CE1-CD2 3.21Å; F10-Y98 HydrophobicContact CE1-CD2 3.21Å; F10-Y98 AromaticContact CE1-CE2 3.78Å; F10-Y98 HydrophobicContact CE1-CE2 3.78Å; F10-Y98 AromaticContact CE1-CG 3.61Å; F10-Y98 HydrophobicContact CE1-CG 3.61Å; F10-Y98 AromaticContact CG-CD2 4Å; F10-Y98 HydrophobicContact CG-CD2 4Å; F10-Y98 HydrophobicContact CG-CE2 4.18Å; F10-Y98 AromaticContact CZ-CD2 3.93Å; F10-Y98 HydrophobicContact CZ-CD2 3.93Å; F10-Y98 HydrophobicContact CZ-CG 4.21Å |
| 11 | V | 84.3 | Confident | 80.3 | Confident | 55 Ų | 55 | 80.7 Ų | 80.7 | 33% | 0.333 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | -177.2 | 175 | 0 | 0 | 0 | 0 | 111 | C7 N8 W14 E15 | C7-V11 WeakPolarHBondContact O-CG2 3.28Å; C7-V11 PolarHBondContact O-N 2.87Å; N8-V11 PolarHBondContact O-N 2.94Å; V11-W14 PolarHBondContact O-N 3.21Å; V11-E15 HydrophobicContact CG1-CG 4.39Å; V11-E15 WeakPolarHBondContact O-CB 3.34Å; V11-E15 VanDerWaalsContact O-CG 3.24Å; V11-E15 WeakPolarHBondContact O-CG 3.36Å; V11-E15 PolarHBondContact O-N 3.43Å |
| 12 | T | 88 | Confident | 82.1 | Confident | 77 Ų | 77 | 77.5 Ų | 77.5 | 47% | 0.472 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.7 | -50.5 | 177.1 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | N8 S9 F10 W14 E15 D16 | N8-T12 WeakPolarHBondContact O-CG2 3.41Å; N8-T12 PolarHBondContact O-N 2.88Å; N8-T12 VanDerWaalsContact O-N 3.11Å; N8-T12 PolarHBondContact O-OG1 3.41Å; S9-T12 WeakPolarHBondContact CA-OG1 3.26Å; S9-T12 PolarHBondContact O-OG1 3.31Å; F10-T12 VanDerWaalsContact C-N 3.31Å; F10-T12 PolarHBondContact O-N 3.44Å; T12-W14 VanDerWaalsContact C-N 3.31Å; T12-W14 PolarHBondContact O-N 3.23Å; T12-E15 PolarHBondContact O-N 3.4Å; T12-D16 VanDerWaalsContact O-CG 3.27Å; T12-D16 PolarHBondContact O-N 2.91Å |
| 13 | K | 88.8 | Confident | 83.8 | Confident | 117 Ų | 117 | 76.3 Ų | 76.3 | 51% | 0.509 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.8 | -40.4 | 176 | -71.4 | 176.6 | -179.3 | -178.1 | 0 | 112.7 | S9 F10 D16 L17 L92 | S9-K13 WeakPolarHBondContact O-CB 3.15Å; S9-K13 VanDerWaalsContact O-CG 3.27Å; S9-K13 WeakPolarHBondContact O-CG 3.36Å; S9-K13 PolarHBondContact O-N 2.9Å; F10-K13 PolarHBondContact O-N 3.3Å; K13-D16 PolarHBondContact O-N 3.32Å; K13-L17 WeakPolarHBondContact O-CG 3.37Å; K13-L17 PolarHBondContact O-N 3.46Å; K13-L92 HydrophobicContact CB-CD1 3.92Å |
| 14 | W | 88.3 | Confident | 85.5 | Confident | 19 Ų | 19 | 68.3 Ų | 68.3 | 7% | 0.072 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 177.7 | 179.1 | -104.5 | 0 | 0 | 0 | 112.1 | F10 V11 T12 R18 M89 L93 T107 M108 | F10-W14 HydrophobicContact CE1-CB 4.24Å; F10-W14 HydrophobicContact CE1-CG 4.38Å; F10-W14 HydrophobicContact CE2-CE3 4.45Å; F10-W14 HydrophobicContact CZ-CB 4.3Å; F10-W14 HydrophobicContact CZ-CD2 4.23Å; F10-W14 HydrophobicContact CZ-CE3 4.05Å; F10-W14 HydrophobicContact CZ-CG 4.34Å; F10-W14 WeakPolarHBondContact O-CB 3.23Å; F10-W14 PolarHBondContact O-N 3.48Å; V11-W14 PolarHBondContact O-N 3.21Å; T12-W14 VanDerWaalsContact C-N 3.31Å; T12-W14 PolarHBondContact O-N 3.23Å; W14-R18 VanDerWaalsContact CD1-NE 3.34Å; W14-R18 VanDerWaalsContact CD1-NH2 3.35Å; W14-R18 PolarHBondContact O-N 3.48Å; W14-M89 HydrophobicContact CD2-CG 4.47Å; W14-M89 HydrophobicContact CE3-CG 3.67Å; W14-M89 HydrophobicContact CH2-CG 3.26Å; W14-M89 HydrophobicContact CH2-SD 3.59Å; W14-M89 VanDerWaalsContact CH2-SD 3.59Å; W14-M89 HydrophobicContact CZ2-CG 4.18Å; W14-M89 HydrophobicContact CZ2-SD 4.06Å; W14-M89 HydrophobicContact CZ3-CB 4.16Å; W14-M89 HydrophobicContact CZ3-CG 2.98Å; W14-M89 WeakPolarHBondContact CZ3-O 3.47Å; W14-M89 HydrophobicContact CZ3-SD 3.95Å; W14-L93 HydrophobicContact CE3-CD2 4.19Å; W14-L93 HydrophobicContact CE3-CG 4.25Å; W14-L93 HydrophobicContact CH2-CD1 3.42Å; W14-L93 VanDerWaalsContact CH2-CD1 3.42Å; W14-L93 HydrophobicContact CH2-CD2 3.71Å; W14-L93 HydrophobicContact CH2-CG 3.5Å; W14-L93 HydrophobicContact CZ2-CD1 4.37Å; W14-L93 HydrophobicContact CZ2-CD2 4.28Å; W14-L93 HydrophobicContact CZ2-CG 4.5Å; W14-L93 HydrophobicContact CZ3-CD1 3.79Å; W14-L93 HydrophobicContact CZ3-CD2 3.63Å; W14-L93 HydrophobicContact CZ3-CG 3.33Å; W14-T107 HydrophobicContact CZ2-CG2 4.48Å; W14-M108 HydrophobicContact CH2-CE 4.03Å; W14-M108 HydrophobicContact CZ3-CE 4.32Å |
| 15 | E | 89.5 | Confident | 87 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 175.4 | -72.8 | -69.6 | 166.6 | 0 | 0 | 111.7 | V11 T12 R18 K19 | V11-E15 HydrophobicContact CG1-CG 4.39Å; V11-E15 WeakPolarHBondContact O-CB 3.34Å; V11-E15 VanDerWaalsContact O-CG 3.24Å; V11-E15 WeakPolarHBondContact O-CG 3.36Å; V11-E15 PolarHBondContact O-N 3.43Å; T12-E15 PolarHBondContact O-N 3.4Å; E15-R18 VanDerWaalsContact CD-CZ 3.49Å; E15-R18 PolarHBondContact O-N 3.4Å; E15-R18 IonicContact OE1-CZ 3.99Å; E15-R18 IonicContact OE1-NH1 3.51Å; E15-R18 IonicContact OE1-NH2 3.74Å; E15-R18 PolarHBondContact OE1-NH2 3.43Å; E15-R18 IonicContact OE2-CZ 2.68Å; E15-R18 IonicContact OE2-NH1 3.35Å; E15-R18 PolarHBondContact OE2-NH1 2.78Å; E15-R18 IonicContact OE2-NH2 2.81Å; E15-R18 PolarHBondContact OE2-NH2 2.93Å; E15-K19 WeakPolarHBondContact O-CG 3.44Å; E15-K19 PolarHBondContact O-N 3.36Å |
| 16 | D | 92.4 | Very high | 88.2 | Confident | 96 Ų | 96 | 65 Ų | 65 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | -179.2 | -69.4 | -21.4 | 0 | 0 | 0 | 111.9 | T12 K13 R18 K19 R20 | T12-D16 VanDerWaalsContact O-CG 3.27Å; T12-D16 PolarHBondContact O-N 2.91Å; K13-D16 PolarHBondContact O-N 3.32Å; D16-R18 VanDerWaalsContact C-N 3.34Å; D16-R18 PolarHBondContact O-N 3.45Å; D16-K19 PolarHBondContact O-N 2.88Å; D16-R20 WeakPolarHBondContact O-CB 3.42Å; D16-R20 PolarHBondContact O-N 3.49Å |
| 17 | L | 92.1 | Very high | 89.5 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -40 | 173.6 | -73.5 | 172.4 | 0 | 0 | 0 | 111.9 | K13 R20 A21 V85 R88 M89 L92 | K13-L17 WeakPolarHBondContact O-CG 3.37Å; K13-L17 PolarHBondContact O-N 3.46Å; L17-R20 PolarHBondContact O-N 2.67Å; L17-A21 WeakPolarHBondContact O-CB 3.23Å; L17-A21 PolarHBondContact O-N 3.44Å; L17-V85 HydrophobicContact CB-CG1 4.39Å; L17-V85 HydrophobicContact CD2-CG1 4.17Å; L17-V85 WeakPolarHBondContact O-CG1 3.45Å; L17-R88 HydrophobicContact CD1-CB 4.13Å; L17-R88 HydrophobicContact CD2-CB 4.24Å; L17-M89 HydrophobicContact CB-CE 4.14Å; L17-M89 HydrophobicContact CD1-CB 4.29Å; L17-L92 HydrophobicContact CD1-CD1 3.36Å; L17-L92 HydrophobicContact CD1-CG 4.35Å |
| 18 | R | 90.8 | Very high | 90.6 | Very high | 34 Ų | 34 | 61.9 Ų | 61.9 | 13% | 0.128 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 175.7 | -83.9 | -166.1 | -71.5 | 114 | -22.3 | 112.9 | W14 E15 D16 R20 A21 R22 M89 | W14-R18 VanDerWaalsContact CD1-NE 3.34Å; W14-R18 VanDerWaalsContact CD1-NH2 3.35Å; W14-R18 PolarHBondContact O-N 3.48Å; E15-R18 VanDerWaalsContact CD-CZ 3.49Å; E15-R18 PolarHBondContact O-N 3.4Å; E15-R18 IonicContact OE1-CZ 3.99Å; E15-R18 IonicContact OE1-NH1 3.51Å; E15-R18 IonicContact OE1-NH2 3.74Å; E15-R18 PolarHBondContact OE1-NH2 3.43Å; E15-R18 IonicContact OE2-CZ 2.68Å; E15-R18 IonicContact OE2-NH1 3.35Å; E15-R18 PolarHBondContact OE2-NH1 2.78Å; E15-R18 IonicContact OE2-NH2 2.81Å; E15-R18 PolarHBondContact OE2-NH2 2.93Å; D16-R18 VanDerWaalsContact C-N 3.34Å; D16-R18 PolarHBondContact O-N 3.45Å; R18-R20 VanDerWaalsContact C-N 3.31Å; R18-A21 PolarHBondContact O-N 3.35Å; R18-R22 WeakPolarHBondContact O-CG 3.16Å; R18-R22 PolarHBondContact O-N 3.31Å; R18-M89 HydrophobicContact CB-CE 4.34Å; R18-M89 HydrophobicContact CG-CE 3.56Å; R18-M89 HydrophobicContact CG-SD 4.06Å |
| 19 | K | 93.4 | Very high | 91.2 | Very high | 132 Ų | 132 | 60.2 Ų | 60.2 | 57% | 0.574 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 174 | -72.8 | 171.6 | -173.4 | 169.3 | 0 | 110.6 | E15 D16 R22 S23 | E15-K19 WeakPolarHBondContact O-CG 3.44Å; E15-K19 PolarHBondContact O-N 3.36Å; D16-K19 PolarHBondContact O-N 2.88Å; K19-R22 PolarHBondContact O-N 3.19Å; K19-S23 PolarHBondContact O-N 3.47Å |
| 20 | R | 93.2 | Very high | 91.8 | Very high | 128 Ų | 128 | 62.2 Ų | 62.2 | 48% | 0.483 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 176.7 | -171.6 | 64.7 | -178.7 | 178.7 | 4.9 | 112 | D16 L17 R18 S23 L24 V85 | D16-R20 WeakPolarHBondContact O-CB 3.42Å; D16-R20 PolarHBondContact O-N 3.49Å; L17-R20 PolarHBondContact O-N 2.67Å; R18-R20 VanDerWaalsContact C-N 3.31Å; R20-S23 WeakPolarHBondContact O-CB 3.3Å; R20-S23 PolarHBondContact O-N 2.82Å; R20-L24 HydrophobicContact CG-CD1 4.27Å; R20-L24 WeakPolarHBondContact O-CG 3.45Å; R20-L24 PolarHBondContact O-N 2.9Å; R20-V85 HydrophobicContact CG-CG2 3.98Å |
| 21 | A | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.5 | -51.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | L17 R18 S23 L24 E25 L82 V85 M89 | L17-A21 WeakPolarHBondContact O-CB 3.23Å; L17-A21 PolarHBondContact O-N 3.44Å; R18-A21 PolarHBondContact O-N 3.35Å; A21-S23 VanDerWaalsContact C-N 3.3Å; A21-S23 PolarHBondContact O-N 2.84Å; A21-L24 PolarHBondContact O-N 2.91Å; A21-L24 VanDerWaalsContact O-N 3.11Å; A21-E25 VanDerWaalsContact O-CG 3.23Å; A21-E25 WeakPolarHBondContact O-CG 3.25Å; A21-E25 PolarHBondContact O-N 2.98Å; A21-L82 HydrophobicContact CB-CD1 4.05Å; A21-V85 HydrophobicContact CB-CG1 3.87Å; A21-M89 HydrophobicContact CB-CE 4.18Å |
| 22 | R | 92.7 | Very high | 92.7 | Very high | 143 Ų | 143 | 61.2 Ų | 61.2 | 54% | 0.54 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.2 | -37.3 | 178.5 | -70.4 | 177.6 | -170.9 | -173.4 | 2.9 | 113.5 | R18 K19 T26 | R18-R22 WeakPolarHBondContact O-CG 3.16Å; R18-R22 PolarHBondContact O-N 3.31Å; K19-R22 PolarHBondContact O-N 3.19Å; R22-T26 PolarHBondContact O-N 3.38Å; R22-T26 PolarHBondContact O-OG1 2.83Å |
| 23 | S | 95.1 | Very high | 92.9 | Very high | 52 Ų | 52 | 62.3 Ų | 62.3 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63 | -48.5 | 174.4 | -172.6 | 0 | 0 | 0 | 0 | 110.8 | K19 R20 A21 T26 D27 | K19-S23 PolarHBondContact O-N 3.47Å; R20-S23 WeakPolarHBondContact O-CB 3.3Å; R20-S23 PolarHBondContact O-N 2.82Å; A21-S23 VanDerWaalsContact C-N 3.3Å; A21-S23 PolarHBondContact O-N 2.84Å; S23-T26 WeakPolarHBondContact O-CB 3.47Å; S23-T26 PolarHBondContact O-N 2.91Å; S23-D27 VanDerWaalsContact O-CG 3.29Å; S23-D27 PolarHBondContact O-N 2.94Å |
| 24 | L | 94.5 | Very high | 93 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 178 | -70.9 | 170.4 | 0 | 0 | 0 | 112 | R20 A21 T26 D27 V28 L78 Q81 L82 V85 | R20-L24 HydrophobicContact CG-CD1 4.27Å; R20-L24 WeakPolarHBondContact O-CG 3.45Å; R20-L24 PolarHBondContact O-N 2.9Å; A21-L24 PolarHBondContact O-N 2.91Å; A21-L24 VanDerWaalsContact O-N 3.11Å; L24-T26 VanDerWaalsContact C-N 3.29Å; L24-T26 PolarHBondContact O-N 3.14Å; L24-D27 PolarHBondContact O-N 2.85Å; L24-V28 VanDerWaalsContact O-CG2 3.27Å; L24-V28 WeakPolarHBondContact O-CG2 3.48Å; L24-V28 PolarHBondContact O-N 3.24Å; L24-L78 HydrophobicContact CD2-CD2 3.82Å; L24-Q81 HydrophobicContact CD1-CB 4.03Å; L24-Q81 HydrophobicContact CD2-CB 4.25Å; L24-L82 HydrophobicContact CB-CB 4.41Å; L24-L82 HydrophobicContact CB-CD1 4.19Å; L24-L82 HydrophobicContact CD1-CB 4.42Å; L24-V85 HydrophobicContact CD1-CG2 3.93Å |
| 25 | E | 94.1 | Very high | 93.2 | Very high | 17 Ų | 17 | 58 Ų | 58 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.7 | -43 | 174.4 | -69.8 | 166.6 | -176 | 0 | 0 | 111.1 | A21 V28 D29 L82 H111 I114 Y118 | A21-E25 VanDerWaalsContact O-CG 3.23Å; A21-E25 WeakPolarHBondContact O-CG 3.25Å; A21-E25 PolarHBondContact O-N 2.98Å; E25-V28 PolarHBondContact O-N 3.49Å; E25-D29 PolarHBondContact O-N 2.73Å; E25-L82 HydrophobicContact CG-CD1 4.06Å; E25-L82 HydrophobicContact CG-CD2 3.96Å; E25-H111 IonicContact OE1-CE1 2.7Å; E25-H111 PolarHBondContact OE1-CE1 2.96Å; E25-H111 IonicContact OE1-ND1 2.73Å; E25-H111 PolarHBondContact OE1-ND1 3.31Å; E25-I114 HydrophobicContact CG-CG2 4.22Å; E25-Y118 HydrophobicContact CB-CE2 4.02Å; E25-Y118 HydrophobicContact CG-CE2 4.04Å; E25-Y118 PolarHBondContact O-OH 2.84Å |
| 26 | T | 94.8 | Very high | 93.2 | Very high | 84 Ų | 84 | 57 Ų | 57 | 52% | 0.515 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 177.1 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | R22 S23 L24 V28 D29 V30 | R22-T26 PolarHBondContact O-N 3.38Å; R22-T26 PolarHBondContact O-OG1 2.83Å; S23-T26 WeakPolarHBondContact O-CB 3.47Å; S23-T26 PolarHBondContact O-N 2.91Å; L24-T26 VanDerWaalsContact C-N 3.29Å; L24-T26 PolarHBondContact O-N 3.14Å; T26-V28 VanDerWaalsContact C-N 3.34Å; T26-V28 PolarHBondContact O-N 2.95Å; T26-D29 PolarHBondContact O-N 3.01Å; T26-V30 WeakPolarHBondContact O-CG2 3.41Å; T26-V30 PolarHBondContact O-N 3.26Å; T26-V30 VanDerWaalsContact O-N 3.08Å |
| 27 | D | 95.1 | Very high | 93.1 | Very high | 72 Ų | 72 | 60 Ų | 60 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 177.7 | -66.8 | -28.3 | 0 | 0 | 0 | 111.7 | S23 L24 K31 L78 | S23-D27 VanDerWaalsContact O-CG 3.29Å; S23-D27 PolarHBondContact O-N 2.94Å; L24-D27 PolarHBondContact O-N 2.85Å; D27-K31 WeakPolarHBondContact O-CG 3.38Å; D27-K31 PolarHBondContact O-N 3.38Å; D27-K31 VanDerWaalsContact O-N 3.13Å; D27-L78 HydrophobicContact CB-CD1 3.93Å; D27-L78 HydrophobicContact CB-CD2 4.26Å |
| 28 | V | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 174.5 | 170 | 0 | 0 | 0 | 0 | 110.6 | L24 E25 T26 V30 K31 L32 L78 L79 Y118 | L24-V28 VanDerWaalsContact O-CG2 3.27Å; L24-V28 WeakPolarHBondContact O-CG2 3.48Å; L24-V28 PolarHBondContact O-N 3.24Å; E25-V28 PolarHBondContact O-N 3.49Å; T26-V28 VanDerWaalsContact C-N 3.34Å; T26-V28 PolarHBondContact O-N 2.95Å; V28-V30 PolarHBondContact O-N 3.04Å; V28-K31 PolarHBondContact O-N 2.93Å; V28-L32 HydrophobicContact CG1-CD1 3.68Å; V28-L32 HydrophobicContact CG1-CG 4.19Å; V28-L32 WeakPolarHBondContact O-CB 3.2Å; V28-L32 WeakPolarHBondContact O-CG 3.49Å; V28-L32 PolarHBondContact O-N 3.17Å; V28-L78 HydrophobicContact CG2-CB 3.57Å; V28-L78 HydrophobicContact CG2-CD1 4.02Å; V28-L78 HydrophobicContact CG2-CG 4.44Å; V28-L79 HydrophobicContact CG1-CD2 4.25Å; V28-L79 HydrophobicContact CG2-CD2 4.35Å; V28-Y118 HydrophobicContact CG1-CD1 3.74Å; V28-Y118 HydrophobicContact CG1-CD2 4.22Å; V28-Y118 HydrophobicContact CG1-CE1 4.17Å; V28-Y118 HydrophobicContact CG1-CG 3.78Å |
| 29 | D | 94.1 | Very high | 92.6 | Very high | 69 Ų | 69 | 58.4 Ų | 58.4 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 179.2 | -170.9 | 35.6 | 0 | 0 | 0 | 111.7 | E25 T26 K31 L32 L33 Y118 | E25-D29 PolarHBondContact O-N 2.73Å; T26-D29 PolarHBondContact O-N 3.01Å; D29-K31 VanDerWaalsContact C-N 3.32Å; D29-K31 PolarHBondContact O-N 3.01Å; D29-L32 PolarHBondContact O-N 3.46Å; D29-L33 WeakPolarHBondContact O-CB 3.34Å; D29-L33 VanDerWaalsContact O-CG 3.28Å; D29-L33 WeakPolarHBondContact O-CG 3.4Å; D29-L33 PolarHBondContact O-N 3.35Å; D29-Y118 HydrophobicContact CB-CE1 4.48Å |
| 30 | V | 95.1 | Very high | 92.1 | Very high | 90 Ų | 90 | 55.2 Ų | 55.2 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | T26 V28 S34 | T26-V30 WeakPolarHBondContact O-CG2 3.41Å; T26-V30 PolarHBondContact O-N 3.26Å; T26-V30 VanDerWaalsContact O-N 3.08Å; V28-V30 PolarHBondContact O-N 3.04Å; V30-S34 PolarHBondContact O-N 3Å; V30-S34 VanDerWaalsContact O-N 3.11Å |
| 31 | K | 93.3 | Very high | 91.5 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73.7 | -35 | 177.8 | -70.9 | -169.8 | -169.8 | -88.9 | 0 | 112.7 | D27 V28 D29 L33 S34 L35 D74 I75 L78 | D27-K31 WeakPolarHBondContact O-CG 3.38Å; D27-K31 PolarHBondContact O-N 3.38Å; D27-K31 VanDerWaalsContact O-N 3.13Å; V28-K31 PolarHBondContact O-N 2.93Å; D29-K31 VanDerWaalsContact C-N 3.32Å; D29-K31 PolarHBondContact O-N 3.01Å; K31-L33 VanDerWaalsContact C-N 3.34Å; K31-S34 PolarHBondContact O-N 3.36Å; K31-S34 PolarHBondContact O-OG 2.94Å; K31-L35 WeakPolarHBondContact O-CB 3.31Å; K31-L35 PolarHBondContact O-N 3.42Å; K31-D74 HydrophobicContact CD-CB 3.93Å; K31-D74 IonicContact NZ-OD2 3.04Å; K31-D74 PolarHBondContact NZ-OD2 3Å; K31-I75 HydrophobicContact CB-CD1 4.03Å; K31-I75 HydrophobicContact CB-CG1 3.59Å; K31-I75 HydrophobicContact CD-CG1 4.2Å; K31-L78 HydrophobicContact CD-CD1 3.61Å; K31-L78 HydrophobicContact CG-CD1 4.4Å |
| 32 | L | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 173.4 | -81.6 | 173.2 | 0 | 0 | 0 | 111.4 | V28 D29 L35 N36 I75 Y118 F122 | V28-L32 HydrophobicContact CG1-CD1 3.68Å; V28-L32 HydrophobicContact CG1-CG 4.19Å; V28-L32 WeakPolarHBondContact O-CB 3.2Å; V28-L32 WeakPolarHBondContact O-CG 3.49Å; V28-L32 PolarHBondContact O-N 3.17Å; D29-L32 PolarHBondContact O-N 3.46Å; L32-L35 HydrophobicContact CD2-CD2 4.26Å; L32-L35 WeakPolarHBondContact O-CB 3.39Å; L32-L35 PolarHBondContact O-N 3.02Å; L32-N36 WeakPolarHBondContact O-CB 3.34Å; L32-N36 VanDerWaalsContact O-CG 3.3Å; L32-N36 PolarHBondContact O-N 3.37Å; L32-N36 PolarHBondContact O-ND2 3.49Å; L32-I75 HydrophobicContact CD2-CD1 4.19Å; L32-I75 HydrophobicContact CD2-CG2 4.49Å; L32-I75 HydrophobicContact CG-CD1 4.5Å; L32-Y118 HydrophobicContact CD1-CD1 3.64Å; L32-Y118 HydrophobicContact CD1-CE1 4.32Å; L32-Y118 HydrophobicContact CD1-CG 4.5Å; L32-F122 HydrophobicContact CD2-CB 3.97Å; L32-F122 HydrophobicContact CD2-CD2 4.08Å |
| 33 | L | 92.7 | Very high | 89.8 | Confident | 101 Ų | 101 | 47.8 Ų | 47.8 | 53% | 0.529 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 173.2 | -71.2 | 172.2 | 0 | 0 | 0 | 111.9 | D29 K31 N36 K37 | D29-L33 WeakPolarHBondContact O-CB 3.34Å; D29-L33 VanDerWaalsContact O-CG 3.28Å; D29-L33 WeakPolarHBondContact O-CG 3.4Å; D29-L33 PolarHBondContact O-N 3.35Å; K31-L33 VanDerWaalsContact C-N 3.34Å; L33-N36 PolarHBondContact O-N 2.99Å; L33-K37 VanDerWaalsContact O-CB 3.32Å; L33-K37 WeakPolarHBondContact O-CB 3.35Å; L33-K37 PolarHBondContact O-N 3.42Å |
| 34 | S | 91.8 | Very high | 88.1 | Confident | 45 Ų | 45 | 47.3 Ų | 47.3 | 32% | 0.315 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.1 | -37.1 | 176.2 | 75 | 0 | 0 | 0 | 0 | 112.2 | V30 K31 K37 L38 | V30-S34 PolarHBondContact O-N 3Å; V30-S34 VanDerWaalsContact O-N 3.11Å; K31-S34 PolarHBondContact O-N 3.36Å; K31-S34 PolarHBondContact O-OG 2.94Å; S34-K37 PolarHBondContact O-N 3.42Å; S34-L38 PolarHBondContact O-N 2.84Å |
| 35 | L | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.3 | -49.8 | 172.3 | -172 | 70.7 | 0 | 0 | 0 | 111.3 | K31 L32 K37 L38 G39 F68 L71 I75 F122 A125 I129 | K31-L35 WeakPolarHBondContact O-CB 3.31Å; K31-L35 PolarHBondContact O-N 3.42Å; L32-L35 HydrophobicContact CD2-CD2 4.26Å; L32-L35 WeakPolarHBondContact O-CB 3.39Å; L32-L35 PolarHBondContact O-N 3.02Å; L35-K37 VanDerWaalsContact C-N 3.29Å; L35-K37 PolarHBondContact O-N 2.83Å; L35-L38 WeakPolarHBondContact O-CB 3.28Å; L35-L38 PolarHBondContact O-N 2.84Å; L35-L38 VanDerWaalsContact O-N 3.12Å; L35-G39 PolarHBondContact O-N 2.78Å; L35-F68 HydrophobicContact CD1-CD2 3.48Å; L35-F68 VanDerWaalsContact CD1-CD2 3.48Å; L35-F68 HydrophobicContact CD1-CE2 3.82Å; L35-L71 HydrophobicContact CD1-CB 4.16Å; L35-L71 HydrophobicContact CD1-CD1 4.5Å; L35-I75 HydrophobicContact CB-CD1 4.13Å; L35-I75 HydrophobicContact CD2-CD1 3.82Å; L35-I75 HydrophobicContact CG-CD1 4.43Å; L35-F122 HydrophobicContact CD2-CD2 3.9Å; L35-F122 HydrophobicContact CD2-CE2 4.01Å; L35-A125 HydrophobicContact CD2-CB 3.81Å; L35-A125 HydrophobicContact CG-CB 4.45Å; L35-I129 HydrophobicContact CD1-CD1 3.65Å; L35-I129 HydrophobicContact CD2-CD1 4.44Å; L35-I129 HydrophobicContact CG-CD1 3.58Å; L35-I129 VanDerWaalsContact O-CD1 3.25Å; L35-I129 WeakPolarHBondContact O-CD1 3.4Å |
| 36 | N | 91.2 | Very high | 84.1 | Confident | 50 Ų | 50 | 58 Ų | 58 | 27% | 0.267 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.9 | -36.8 | 176.8 | -76.3 | -34.5 | 0 | 0 | 0 | 111.7 | L32 L33 G39 A40 E121 A125 | L32-N36 WeakPolarHBondContact O-CB 3.34Å; L32-N36 VanDerWaalsContact O-CG 3.3Å; L32-N36 PolarHBondContact O-N 3.37Å; L32-N36 PolarHBondContact O-ND2 3.49Å; L33-N36 PolarHBondContact O-N 2.99Å; N36-G39 PolarHBondContact O-N 3.43Å; N36-A40 WeakPolarHBondContact O-CB 3.46Å; N36-A40 PolarHBondContact O-N 3.02Å; N36-E121 PolarHBondContact ND2-OE1 3.29Å; N36-A125 WeakPolarHBondContact OD1-CB 3.22Å |
| 37 | K | 89.9 | Confident | 81.9 | Confident | 161 Ų | 161 | 57.7 Ų | 57.7 | 70% | 0.7 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.6 | -39.4 | 174 | -173.8 | 179 | -179.7 | -177.9 | 0 | 111.9 | L33 S34 L35 A40 S41 | L33-K37 VanDerWaalsContact O-CB 3.32Å; L33-K37 WeakPolarHBondContact O-CB 3.35Å; L33-K37 PolarHBondContact O-N 3.42Å; S34-K37 PolarHBondContact O-N 3.42Å; L35-K37 VanDerWaalsContact C-N 3.29Å; L35-K37 PolarHBondContact O-N 2.83Å; K37-A40 PolarHBondContact O-N 2.68Å; K37-S41 WeakPolarHBondContact O-CB 3.44Å; K37-S41 PolarHBondContact O-N 3.27Å |
| 38 | L | 86.3 | Confident | 79.3 | Confident | 22 Ų | 22 | 59 Ų | 59 | 12% | 0.115 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 172.8 | -178.7 | 65.1 | 0 | 0 | 0 | 110.3 | S34 L35 A40 S41 L42 F68 | S34-L38 PolarHBondContact O-N 2.84Å; L35-L38 WeakPolarHBondContact O-CB 3.28Å; L35-L38 PolarHBondContact O-N 2.84Å; L35-L38 VanDerWaalsContact O-N 3.12Å; L38-A40 PolarHBondContact O-N 3.25Å; L38-S41 PolarHBondContact O-N 2.91Å; L38-S41 VanDerWaalsContact O-N 3.13Å; L38-S41 PolarHBondContact O-OG 2.8Å; L38-L42 HydrophobicContact CD1-CD1 3.98Å; L38-L42 HydrophobicContact CG-CD1 4.32Å; L38-L42 VanDerWaalsContact O-CD1 3.28Å; L38-L42 WeakPolarHBondContact O-CD1 3.29Å; L38-L42 PolarHBondContact O-N 3.32Å; L38-F68 HydrophobicContact CD2-CB 3.67Å |
| 39 | G | 85.7 | Confident | 76.6 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 3% | 0.031 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59 | -43.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L35 N36 S41 L42 G43 L132 | L35-G39 PolarHBondContact O-N 2.78Å; N36-G39 PolarHBondContact O-N 3.43Å; G39-S41 VanDerWaalsContact C-N 3.31Å; G39-S41 PolarHBondContact O-N 3.13Å; G39-L42 PolarHBondContact O-N 3.41Å; G39-G43 PolarHBondContact O-N 2.7Å; G39-L132 VanDerWaalsContact O-CD1 3.27Å; G39-L132 WeakPolarHBondContact O-CD1 3.32Å |
| 40 | A | 82.9 | Confident | 74.2 | Confident | 66 Ų | 66 | 67.7 Ų | 67.7 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.4 | -35.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N36 K37 L38 G43 G44 | N36-A40 WeakPolarHBondContact O-CB 3.46Å; N36-A40 PolarHBondContact O-N 3.02Å; K37-A40 PolarHBondContact O-N 2.68Å; L38-A40 PolarHBondContact O-N 3.25Å; A40-G43 PolarHBondContact O-N 3.48Å; A40-G44 VanDerWaalsContact O-CA 3.31Å; A40-G44 WeakPolarHBondContact O-CA 3.35Å; A40-G44 PolarHBondContact O-N 2.96Å |
| 41 | S | 80.6 | Confident | 71.4 | Confident | 56 Ų | 56 | 71.9 Ų | 71.9 | 39% | 0.392 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 175.6 | 74.8 | 0 | 0 | 0 | 0 | 111.9 | K37 L38 G39 V45 | K37-S41 WeakPolarHBondContact O-CB 3.44Å; K37-S41 PolarHBondContact O-N 3.27Å; L38-S41 PolarHBondContact O-N 2.91Å; L38-S41 VanDerWaalsContact O-N 3.13Å; L38-S41 PolarHBondContact O-OG 2.8Å; G39-S41 VanDerWaalsContact C-N 3.31Å; G39-S41 PolarHBondContact O-N 3.13Å; S41-V45 VanDerWaalsContact O-CG2 3.27Å; S41-V45 WeakPolarHBondContact O-CG2 3.11Å |
| 42 | L | 78.8 | Confident | 69 | Low | 17 Ų | 17 | 76.6 Ų | 76.6 | 9% | 0.089 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -67.2 | -40.6 | 175.4 | -92.3 | 65.6 | 0 | 0 | 0 | 112 | L38 G39 L132 L133 | L38-L42 HydrophobicContact CD1-CD1 3.98Å; L38-L42 HydrophobicContact CG-CD1 4.32Å; L38-L42 VanDerWaalsContact O-CD1 3.28Å; L38-L42 WeakPolarHBondContact O-CD1 3.29Å; L38-L42 PolarHBondContact O-N 3.32Å; G39-L42 PolarHBondContact O-N 3.41Å; L42-L132 HydrophobicContact CB-CB 4.16Å; L42-L132 HydrophobicContact CB-CD1 4.3Å; L42-L132 HydrophobicContact CD2-CB 4.22Å; L42-L133 HydrophobicContact CD2-CD2 3.6Å; L42-L133 HydrophobicContact CD2-CG 3.68Å |
| 43 | G | 70.9 | Confident | 66.6 | Low | 41 Ų | 41 | 86.1 Ų | 86.1 | 42% | 0.423 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -78.2 | -33.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G39 A40 | G39-G43 PolarHBondContact O-N 2.7Å; A40-G43 PolarHBondContact O-N 3.48Å |
| 44 | G | 59.9 | Low | 64.3 | Low | 43 Ų | 43 | 84.2 Ų | 84.2 | 44% | 0.443 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -77.3 | -22.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115 | A40 R46 G47 | A40-G44 VanDerWaalsContact O-CA 3.31Å; A40-G44 WeakPolarHBondContact O-CA 3.35Å; A40-G44 PolarHBondContact O-N 2.96Å; G44-R46 PolarHBondContact O-N 2.84Å; G44-G47 PolarHBondContact O-N 3.45Å; G44-G47 VanDerWaalsContact O-N 3.12Å |
| 45 | V | 53.9 | Low | 62.3 | Low | 80 Ų | 80 | 89.3 Ų | 89.3 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -17.4 | 179.1 | 166.6 | 0 | 0 | 0 | 0 | 113.2 | S41 F56 | S41-V45 VanDerWaalsContact O-CG2 3.27Å; S41-V45 WeakPolarHBondContact O-CG2 3.11Å; V45-F56 HydrophobicContact CG2-CE2 4.25Å |
| 46 | R | 50.6 | Low | 60.5 | Low | 162 Ų | 162 | 92 Ų | 92 | 61% | 0.611 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -16.9 | 178 | -72.9 | -179.9 | 160.6 | -112.3 | -5.4 | 116 | G44 S48 M139 | G44-R46 PolarHBondContact O-N 2.84Å; R46-S48 PolarHBondContact O-N 3.42Å; R46-M139 VanDerWaalsContact CZ-CE 3.46Å; R46-M139 VanDerWaalsContact NH2-CE 3.26Å |
| 47 | G | 48.7 | Very low | 58.9 | Low | 78 Ų | 78 | 90.5 Ų | 90.5 | 80% | 0.804 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -26.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G44 | G44-G47 PolarHBondContact O-N 3.45Å; G44-G47 VanDerWaalsContact O-N 3.12Å |
| 48 | S | 40 | Very low | 57.7 | Low | 99 Ų | 99 | 86.8 Ų | 86.8 | 69% | 0.692 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -119.9 | 127.1 | 177.3 | -155 | 0 | 0 | 0 | 0 | 108.9 | R46 | R46-S48 PolarHBondContact O-N 3.42Š|
| 49 | A | 39.2 | Very low | 57.1 | Low | 71 Ų | 71 | 92.1 Ų | 92.1 | 59% | 0.587 | 54% | 0.54 | S | S | * | . | trans | 78.8 | 85.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | H51 | A49-H51 PolarHBondContact O-N 2.97Š| ||
| 50 | L | 42.3 | Very low | 56.7 | Low | 180 Ų | 180 | 95.6 Ų | 95.6 | 94% | 0.942 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.8 | 18.7 | 152.3 | -104.4 | 155.6 | 0 | 0 | 0 | 115.7 | ||
| 51 | H | 37.9 | Very low | 56.5 | Low | 179 Ų | 179 | 92.6 Ų | 92.6 | 83% | 0.829 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155.6 | 27.1 | -171.3 | -121.1 | -52.1 | 0 | 0 | 0 | 117.8 | A49 | A49-H51 PolarHBondContact O-N 2.97Š|
| 52 | Q | 41.1 | Very low | 56.5 | Low | 154 Ų | 154 | 92.4 Ų | 92.4 | 72% | 0.72 | 53% | 0.532 | S | S | * | . | trans | -119.9 | 95.8 | 165.5 | -139.2 | 165 | -7.1 | 0 | 0 | 111.9 | S54 | Q52-S54 WeakPolarHBondContact CB-OG 3.48Å; Q52-S54 VanDerWaalsContact CG-OG 3.3Å; Q52-S54 WeakPolarHBondContact CG-OG 3.38Å; Q52-S54 PolarHBondContact O-N 3.37Å | ||
| 53 | E | 42.2 | Very low | 56.8 | Low | 200 Ų | 200 | 96.7 Ų | 96.7 | 94% | 0.935 | 56% | 0.555 | S | S | * | * | trans | -59.5 | 28.8 | 155.2 | -67.4 | -177.4 | 139.2 | 0 | 0 | 112.2 | N55 | E53-N55 PolarHBondContact O-N 2.97Š| ||
| 54 | S | 45.8 | Very low | 57.5 | Low | 62 Ų | 62 | 95.5 Ų | 95.5 | 43% | 0.434 | 54% | 0.54 | S | S | . | . | trans | -74.5 | 85.3 | 171.6 | 47.3 | 0 | 0 | 0 | 0 | 107.4 | Q52 F56 | Q52-S54 WeakPolarHBondContact CB-OG 3.48Å; Q52-S54 VanDerWaalsContact CG-OG 3.3Å; Q52-S54 WeakPolarHBondContact CG-OG 3.38Å; Q52-S54 PolarHBondContact O-N 3.37Å; S54-F56 PolarHBondContact O-N 3.43Å | ||
| 55 | N | 49.2 | Very low | 58.9 | Low | 151 Ų | 151 | 97.4 Ų | 97.4 | 81% | 0.807 | 53% | 0.534 | S | S | * | . | 20.1 | 61.4 | 128.7 | -157.7 | 58.4 | 0 | 0 | 0 | 113.5 | E53 G57 | E53-N55 PolarHBondContact O-N 2.97Å; N55-G57 PolarHBondContact O-N 3.37Å | |||
| 56 | F | 53.3 | Low | 60.5 | Low | 58 Ų | 58 | 98.2 Ų | 98.2 | 25% | 0.254 | 54% | 0.535 | S | S | . | . | trans | -73.7 | 80.1 | 168.7 | -160.8 | -91.2 | 0 | 0 | 0 | 103.5 | V45 S54 N60 V61 E136 | V45-F56 HydrophobicContact CG2-CE2 4.25Å; S54-F56 PolarHBondContact O-N 3.43Å; F56-N60 HydrophobicContact CD1-CB 4.05Å; F56-N60 HydrophobicContact CD2-CB 4.42Å; F56-N60 HydrophobicContact CE1-CB 3.74Å; F56-N60 HydrophobicContact CE2-CB 4.15Å; F56-N60 HydrophobicContact CG-CB 4.38Å; F56-N60 HydrophobicContact CZ-CB 3.8Å; F56-V61 HydrophobicContact CD1-CG2 3.72Å; F56-V61 HydrophobicContact CE1-CG2 3.75Å; F56-E136 HydrophobicContact CD1-CG 4.19Å; F56-E136 HydrophobicContact CE1-CG 4.29Å | ||
| 57 | G | 57.7 | Low | 62.4 | Low | 17 Ų | 17 | 93.1 Ų | 93.1 | 18% | 0.175 | 52% | 0.522 | C | S | . | . | trans | -59.7 | 153.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | N55 D59 N60 V61 | N55-G57 PolarHBondContact O-N 3.37Å; G57-D59 PolarHBondContact O-N 3.41Å; G57-N60 PolarHBondContact O-N 3.49Å; G57-V61 PolarHBondContact O-N 3.39Å | ||
| 58 | L | 65.7 | Low | 64.5 | Low | 84 Ų | 84 | 89.8 Ų | 89.8 | 44% | 0.44 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -45.7 | -29.8 | 169.1 | -76.7 | 158.3 | 0 | 0 | 0 | 111.9 | V61 S62 A140 | L58-V61 PolarHBondContact O-N 2.88Å; L58-S62 VanDerWaalsContact O-CB 3.28Å; L58-S62 WeakPolarHBondContact O-CB 3.24Å; L58-S62 PolarHBondContact O-N 3Å; L58-S62 PolarHBondContact O-OG 3.33Å; L58-A140 HydrophobicContact CD2-CB 3.7Å; L58-A140 HydrophobicContact CG-CB 4.12Å |
| 59 | D | 73.7 | Confident | 67 | Low | 133 Ų | 133 | 89.7 Ų | 89.7 | 71% | 0.711 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.2 | -43.3 | 175.1 | -58.8 | -23.4 | 0 | 0 | 0 | 113.4 | G57 S62 L63 | G57-D59 PolarHBondContact O-N 3.41Å; D59-S62 PolarHBondContact O-N 2.86Å; D59-L63 WeakPolarHBondContact O-CB 3.31Å; D59-L63 PolarHBondContact O-N 2.99Å |
| 60 | N | 76.8 | Confident | 69.5 | Low | 77 Ų | 77 | 88.9 Ų | 88.9 | 41% | 0.412 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.4 | -42.2 | 177.9 | -80.9 | -6.4 | 0 | 0 | 0 | 111 | F56 G57 S62 L63 S64 | F56-N60 HydrophobicContact CD1-CB 4.05Å; F56-N60 HydrophobicContact CD2-CB 4.42Å; F56-N60 HydrophobicContact CE1-CB 3.74Å; F56-N60 HydrophobicContact CE2-CB 4.15Å; F56-N60 HydrophobicContact CG-CB 4.38Å; F56-N60 HydrophobicContact CZ-CB 3.8Å; G57-N60 PolarHBondContact O-N 3.49Å; N60-S62 VanDerWaalsContact C-N 3.29Å; N60-S62 PolarHBondContact O-N 3.39Å; N60-L63 PolarHBondContact O-N 2.88Å; N60-S64 WeakPolarHBondContact O-CB 3.42Å; N60-S64 PolarHBondContact O-N 3.47Å; N60-S64 PolarHBondContact O-OG 2.82Å; N60-S64 VanDerWaalsContact O-OG 3.14Å |
| 61 | V | 79 | Confident | 72 | Confident | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.012 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 175.3 | -172.3 | 0 | 0 | 0 | 0 | 110.5 | F56 G57 L58 S64 R65 L133 E136 L137 | F56-V61 HydrophobicContact CD1-CG2 3.72Å; F56-V61 HydrophobicContact CE1-CG2 3.75Å; G57-V61 PolarHBondContact O-N 3.39Å; L58-V61 PolarHBondContact O-N 2.88Å; V61-S64 PolarHBondContact O-N 2.93Å; V61-R65 WeakPolarHBondContact O-CB 3.27Å; V61-R65 PolarHBondContact O-N 3.34Å; V61-L133 HydrophobicContact CG1-CD2 4.1Å; V61-E136 HydrophobicContact CG1-CB 4.36Å; V61-E136 HydrophobicContact CG1-CG 4.24Å; V61-E136 HydrophobicContact CG2-CB 4.45Å; V61-E136 HydrophobicContact CG2-CG 3.49Å; V61-E136 VanDerWaalsContact CG2-CG 3.49Å; V61-L137 HydrophobicContact CG1-CD2 3.7Å; V61-L137 HydrophobicContact CG1-CG 3.85Å |
| 62 | S | 80.8 | Confident | 74.6 | Confident | 53 Ų | 53 | 74.1 Ų | 74.1 | 37% | 0.371 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | L58 D59 N60 R65 N66 | L58-S62 VanDerWaalsContact O-CB 3.28Å; L58-S62 WeakPolarHBondContact O-CB 3.24Å; L58-S62 PolarHBondContact O-N 3Å; L58-S62 PolarHBondContact O-OG 3.33Å; D59-S62 PolarHBondContact O-N 2.86Å; N60-S62 VanDerWaalsContact C-N 3.29Å; N60-S62 PolarHBondContact O-N 3.39Å; S62-R65 PolarHBondContact O-N 2.91Å; S62-N66 PolarHBondContact O-N 3.41Å; S62-N66 PolarHBondContact O-ND2 3.35Å |
| 63 | L | 84.5 | Confident | 77.2 | Confident | 107 Ų | 107 | 71.7 Ų | 71.7 | 56% | 0.56 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.8 | -42.7 | 174.1 | -177.7 | 64.3 | 0 | 0 | 0 | 111.5 | D59 N60 R65 N66 T67 | D59-L63 WeakPolarHBondContact O-CB 3.31Å; D59-L63 PolarHBondContact O-N 2.99Å; N60-L63 PolarHBondContact O-N 2.88Å; L63-R65 VanDerWaalsContact C-N 3.33Å; L63-R65 PolarHBondContact O-N 3.42Å; L63-N66 PolarHBondContact O-N 3.06Å; L63-T67 HydrophobicContact CD1-CG2 4.44Å; L63-T67 WeakPolarHBondContact O-CB 3.46Å; L63-T67 WeakPolarHBondContact O-CG2 3.31Å; L63-T67 PolarHBondContact O-N 2.82Å; L63-T67 PolarHBondContact O-OG1 3.12Å |
| 64 | S | 86 | Confident | 79.7 | Confident | 16 Ų | 16 | 65.5 Ų | 65.5 | 11% | 0.112 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 174.7 | -69 | 0 | 0 | 0 | 0 | 112.1 | N60 V61 T67 F68 | N60-S64 WeakPolarHBondContact O-CB 3.42Å; N60-S64 PolarHBondContact O-N 3.47Å; N60-S64 PolarHBondContact O-OG 2.82Å; N60-S64 VanDerWaalsContact O-OG 3.14Å; V61-S64 PolarHBondContact O-N 2.93Å; S64-T67 VanDerWaalsContact CA-OG1 3.31Å; S64-T67 WeakPolarHBondContact CA-OG1 3.37Å; S64-T67 PolarHBondContact O-OG1 2.94Å; S64-F68 WeakPolarHBondContact O-CB 3.35Å; S64-F68 PolarHBondContact O-N 3.43Å |
| 65 | R | 87.9 | Confident | 82 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 31% | 0.313 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.9 | -48.6 | 172.3 | 170.1 | 169.1 | -101.1 | 143.8 | 0.8 | 111.7 | V61 S62 L63 T67 F68 E69 L133 | V61-R65 WeakPolarHBondContact O-CB 3.27Å; V61-R65 PolarHBondContact O-N 3.34Å; S62-R65 PolarHBondContact O-N 2.91Å; L63-R65 VanDerWaalsContact C-N 3.33Å; L63-R65 PolarHBondContact O-N 3.42Å; R65-T67 VanDerWaalsContact C-N 3.31Å; R65-T67 PolarHBondContact O-N 3.26Å; R65-F68 WeakPolarHBondContact O-CB 3.28Å; R65-F68 PolarHBondContact O-N 3.01Å; R65-E69 WeakPolarHBondContact CD-OE1 3.37Å; R65-E69 HydrophobicContact CG-CG 4.33Å; R65-E69 VanDerWaalsContact CG-OE1 3.25Å; R65-E69 WeakPolarHBondContact CG-OE1 3.47Å; R65-E69 IonicContact NE-OE1 3.67Å; R65-E69 WeakPolarHBondContact O-CG 3.45Å; R65-E69 PolarHBondContact O-N 3.36Å; R65-L133 HydrophobicContact CB-CD1 4.3Å; R65-L133 HydrophobicContact CB-CD2 4.16Å |
| 66 | N | 88.9 | Confident | 84.2 | Confident | 96 Ų | 96 | 59.3 Ų | 59.3 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | -179.9 | -67.8 | -21.9 | 0 | 0 | 0 | 111.9 | S62 L63 E69 A70 | S62-N66 PolarHBondContact O-N 3.41Å; S62-N66 PolarHBondContact O-ND2 3.35Å; L63-N66 PolarHBondContact O-N 3.06Å; N66-E69 PolarHBondContact O-N 3.48Å; N66-A70 WeakPolarHBondContact O-CB 3.43Å; N66-A70 PolarHBondContact O-N 3Å |
| 67 | T | 89.9 | Confident | 86.2 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 34% | 0.344 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.8 | -38.4 | 176 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | L63 S64 R65 L71 | L63-T67 HydrophobicContact CD1-CG2 4.44Å; L63-T67 WeakPolarHBondContact O-CB 3.46Å; L63-T67 WeakPolarHBondContact O-CG2 3.31Å; L63-T67 PolarHBondContact O-N 2.82Å; L63-T67 PolarHBondContact O-OG1 3.12Å; S64-T67 VanDerWaalsContact CA-OG1 3.31Å; S64-T67 WeakPolarHBondContact CA-OG1 3.37Å; S64-T67 PolarHBondContact O-OG1 2.94Å; R65-T67 VanDerWaalsContact C-N 3.31Å; R65-T67 PolarHBondContact O-N 3.26Å; T67-L71 WeakPolarHBondContact O-CB 3.25Å; T67-L71 VanDerWaalsContact O-CG 3.28Å; T67-L71 WeakPolarHBondContact O-CG 3.33Å; T67-L71 PolarHBondContact O-N 2.97Å |
| 68 | F | 91.8 | Very high | 88 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 172.1 | 170.6 | -110.8 | 0 | 0 | 0 | 112.3 | L35 L38 S64 R65 L71 S72 Q126 I129 L133 | L35-F68 HydrophobicContact CD1-CD2 3.48Å; L35-F68 VanDerWaalsContact CD1-CD2 3.48Å; L35-F68 HydrophobicContact CD1-CE2 3.82Å; L38-F68 HydrophobicContact CD2-CB 3.67Å; S64-F68 WeakPolarHBondContact O-CB 3.35Å; S64-F68 PolarHBondContact O-N 3.43Å; R65-F68 WeakPolarHBondContact O-CB 3.28Å; R65-F68 PolarHBondContact O-N 3.01Å; F68-L71 PolarHBondContact O-N 2.91Å; F68-S72 VanDerWaalsContact O-CB 3.25Å; F68-S72 WeakPolarHBondContact O-CB 3.32Å; F68-S72 PolarHBondContact O-N 3.48Å; F68-S72 PolarHBondContact O-OG 3.33Å; F68-Q126 HydrophobicContact CE1-CG 4.49Å; F68-Q126 HydrophobicContact CE2-CG 4.22Å; F68-Q126 HydrophobicContact CZ-CB 4.27Å; F68-Q126 HydrophobicContact CZ-CG 3.56Å; F68-I129 HydrophobicContact CB-CG2 4.34Å; F68-I129 HydrophobicContact CD1-CG2 4.3Å; F68-I129 HydrophobicContact CD2-CB 3.89Å; F68-I129 HydrophobicContact CD2-CD1 3.77Å; F68-I129 HydrophobicContact CD2-CG1 4.43Å; F68-I129 HydrophobicContact CD2-CG2 3.36Å; F68-I129 HydrophobicContact CE1-CG2 4.43Å; F68-I129 HydrophobicContact CE2-CB 3.57Å; F68-I129 HydrophobicContact CE2-CD1 3.75Å; F68-I129 HydrophobicContact CE2-CG1 4.26Å; F68-I129 HydrophobicContact CE2-CG2 3.55Å; F68-I129 HydrophobicContact CG-CG2 3.75Å; F68-I129 HydrophobicContact CZ-CB 4.1Å; F68-I129 HydrophobicContact CZ-CG2 4.06Å; F68-L133 HydrophobicContact CB-CD1 4.4Å; F68-L133 HydrophobicContact CD1-CD1 3.87Å; F68-L133 HydrophobicContact CE1-CD1 4.39Å; F68-L133 HydrophobicContact CG-CD1 4.23Å |
| 69 | E | 92.4 | Very high | 89.4 | Confident | 97 Ų | 97 | 57 Ų | 57 | 45% | 0.453 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 179.1 | -73.8 | 175.6 | -169.2 | 0 | 0 | 111.2 | R65 N66 S72 V73 | R65-E69 WeakPolarHBondContact CD-OE1 3.37Å; R65-E69 HydrophobicContact CG-CG 4.33Å; R65-E69 VanDerWaalsContact CG-OE1 3.25Å; R65-E69 WeakPolarHBondContact CG-OE1 3.47Å; R65-E69 IonicContact NE-OE1 3.67Å; R65-E69 WeakPolarHBondContact O-CG 3.45Å; R65-E69 PolarHBondContact O-N 3.36Å; N66-E69 PolarHBondContact O-N 3.48Å; E69-S72 PolarHBondContact O-N 2.75Å; E69-V73 WeakPolarHBondContact O-CG2 3.42Å; E69-V73 PolarHBondContact O-N 3.48Å |
| 70 | A | 93.4 | Very high | 90.5 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | N66 S72 V73 D74 | N66-A70 WeakPolarHBondContact O-CB 3.43Å; N66-A70 PolarHBondContact O-N 3Å; A70-S72 VanDerWaalsContact C-N 3.3Å; A70-S72 PolarHBondContact O-N 3.48Å; A70-V73 PolarHBondContact O-N 2.83Å; A70-D74 WeakPolarHBondContact O-CB 3.19Å; A70-D74 PolarHBondContact O-N 3.12Å |
| 71 | L | 93.2 | Very high | 91.3 | Very high | 35 Ų | 35 | 54.3 Ų | 54.3 | 18% | 0.183 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.1 | -37 | 176 | -74.4 | 173.5 | 0 | 0 | 0 | 112.1 | L35 T67 F68 D74 I75 | L35-L71 HydrophobicContact CD1-CB 4.16Å; L35-L71 HydrophobicContact CD1-CD1 4.5Å; T67-L71 WeakPolarHBondContact O-CB 3.25Å; T67-L71 VanDerWaalsContact O-CG 3.28Å; T67-L71 WeakPolarHBondContact O-CG 3.33Å; T67-L71 PolarHBondContact O-N 2.97Å; F68-L71 PolarHBondContact O-N 2.91Å; L71-D74 PolarHBondContact O-N 3.43Å; L71-I75 WeakPolarHBondContact O-CB 3.44Å; L71-I75 WeakPolarHBondContact O-CD1 3.48Å; L71-I75 WeakPolarHBondContact O-CG1 3.41Å; L71-I75 PolarHBondContact O-N 2.86Å |
| 72 | S | 93.8 | Very high | 92 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 10% | 0.098 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 178.7 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | F68 E69 A70 I75 Q76 | F68-S72 VanDerWaalsContact O-CB 3.25Å; F68-S72 WeakPolarHBondContact O-CB 3.32Å; F68-S72 PolarHBondContact O-N 3.48Å; F68-S72 PolarHBondContact O-OG 3.33Å; E69-S72 PolarHBondContact O-N 2.75Å; A70-S72 VanDerWaalsContact C-N 3.3Å; A70-S72 PolarHBondContact O-N 3.48Å; S72-I75 PolarHBondContact O-N 2.8Å; S72-Q76 WeakPolarHBondContact O-CB 3.35Å; S72-Q76 PolarHBondContact O-N 2.91Å |
| 73 | V | 95 | Very high | 92.7 | Very high | 103 Ų | 103 | 54 Ų | 54 | 62% | 0.624 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.4 | -43.4 | 175.2 | 172 | 0 | 0 | 0 | 0 | 110.8 | E69 A70 Q76 N77 | E69-V73 WeakPolarHBondContact O-CG2 3.42Å; E69-V73 PolarHBondContact O-N 3.48Å; A70-V73 PolarHBondContact O-N 2.83Å; V73-Q76 PolarHBondContact O-N 3.36Å; V73-N77 WeakPolarHBondContact O-CB 3.49Å; V73-N77 PolarHBondContact O-N 3.33Å |
| 74 | D | 94.9 | Very high | 93.2 | Very high | 70 Ų | 70 | 51.8 Ų | 51.8 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 177.4 | -88.1 | 7.4 | 0 | 0 | 0 | 112.6 | K31 A70 L71 Q76 N77 L78 | K31-D74 HydrophobicContact CD-CB 3.93Å; K31-D74 IonicContact NZ-OD2 3.04Å; K31-D74 PolarHBondContact NZ-OD2 3Å; A70-D74 WeakPolarHBondContact O-CB 3.19Å; A70-D74 PolarHBondContact O-N 3.12Å; L71-D74 PolarHBondContact O-N 3.43Å; D74-Q76 VanDerWaalsContact C-N 3.35Å; D74-N77 PolarHBondContact O-N 2.9Å; D74-L78 WeakPolarHBondContact O-CG 3.24Å; D74-L78 PolarHBondContact O-N 3.29Å |
| 75 | I | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 178.4 | -68.4 | 162.2 | 0 | 0 | 0 | 110 | K31 L32 L35 L71 S72 N77 L78 L79 F122 | K31-I75 HydrophobicContact CB-CD1 4.03Å; K31-I75 HydrophobicContact CB-CG1 3.59Å; K31-I75 HydrophobicContact CD-CG1 4.2Å; L32-I75 HydrophobicContact CD2-CD1 4.19Å; L32-I75 HydrophobicContact CD2-CG2 4.49Å; L32-I75 HydrophobicContact CG-CD1 4.5Å; L35-I75 HydrophobicContact CB-CD1 4.13Å; L35-I75 HydrophobicContact CD2-CD1 3.82Å; L35-I75 HydrophobicContact CG-CD1 4.43Å; L71-I75 WeakPolarHBondContact O-CB 3.44Å; L71-I75 WeakPolarHBondContact O-CD1 3.48Å; L71-I75 WeakPolarHBondContact O-CG1 3.41Å; L71-I75 PolarHBondContact O-N 2.86Å; S72-I75 PolarHBondContact O-N 2.8Å; I75-N77 VanDerWaalsContact C-N 3.33Å; I75-N77 PolarHBondContact O-N 2.98Å; I75-L78 PolarHBondContact O-N 3.12Å; I75-L79 HydrophobicContact CG2-CD1 4.02Å; I75-L79 HydrophobicContact CG2-CG 4.26Å; I75-L79 WeakPolarHBondContact O-CG 3.44Å; I75-L79 PolarHBondContact O-N 3.37Å; I75-F122 HydrophobicContact CB-CD2 4.08Å; I75-F122 HydrophobicContact CB-CE2 3.9Å; I75-F122 HydrophobicContact CB-CZ 4.42Å; I75-F122 HydrophobicContact CD1-CD2 4.07Å; I75-F122 HydrophobicContact CD1-CE2 4.03Å; I75-F122 HydrophobicContact CG2-CB 4.37Å; I75-F122 HydrophobicContact CG2-CD1 4.4Å; I75-F122 HydrophobicContact CG2-CD2 3.5Å; I75-F122 HydrophobicContact CG2-CE2 3.82Å; I75-F122 HydrophobicContact CG2-CG 3.83Å; I75-F122 HydrophobicContact CG2-CZ 4.38Å |
| 76 | Q | 94.9 | Very high | 93.9 | Very high | 82 Ų | 82 | 48 Ų | 48 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 176.9 | -171.5 | 60.5 | 49.4 | 0 | 0 | 111.4 | S72 V73 D74 L78 L79 D80 | S72-Q76 WeakPolarHBondContact O-CB 3.35Å; S72-Q76 PolarHBondContact O-N 2.91Å; V73-Q76 PolarHBondContact O-N 3.36Å; D74-Q76 VanDerWaalsContact C-N 3.35Å; Q76-L78 VanDerWaalsContact C-N 3.34Å; Q76-L78 PolarHBondContact O-N 2.88Å; Q76-L79 PolarHBondContact O-N 3.46Å; Q76-D80 PolarHBondContact NE2-OD1 2.88Å; Q76-D80 PolarHBondContact O-N 2.81Å |
| 77 | N | 96.1 | Very high | 94.1 | Very high | 87 Ų | 87 | 48.6 Ų | 48.6 | 47% | 0.465 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 176.2 | -176.5 | 8.8 | 0 | 0 | 0 | 112.3 | V73 D74 I75 D80 Q81 | V73-N77 WeakPolarHBondContact O-CB 3.49Å; V73-N77 PolarHBondContact O-N 3.33Å; D74-N77 PolarHBondContact O-N 2.9Å; I75-N77 VanDerWaalsContact C-N 3.33Å; I75-N77 PolarHBondContact O-N 2.98Å; N77-D80 PolarHBondContact O-N 2.88Å; N77-Q81 WeakPolarHBondContact O-CB 3.31Å; N77-Q81 WeakPolarHBondContact O-CG 3.38Å; N77-Q81 PolarHBondContact O-N 3.19Å; N77-Q81 PolarHBondContact O-NE2 3.11Å; N77-Q81 PolarHBondContact OD1-NE2 2.87Å |
| 78 | L | 94.6 | Very high | 94.2 | Very high | 19 Ų | 19 | 52.4 Ų | 52.4 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 174.4 | -72.3 | 177 | 0 | 0 | 0 | 112.4 | L24 D27 V28 K31 D74 I75 Q76 Q81 L82 | L24-L78 HydrophobicContact CD2-CD2 3.82Å; D27-L78 HydrophobicContact CB-CD1 3.93Å; D27-L78 HydrophobicContact CB-CD2 4.26Å; V28-L78 HydrophobicContact CG2-CB 3.57Å; V28-L78 HydrophobicContact CG2-CD1 4.02Å; V28-L78 HydrophobicContact CG2-CG 4.44Å; K31-L78 HydrophobicContact CD-CD1 3.61Å; K31-L78 HydrophobicContact CG-CD1 4.4Å; D74-L78 WeakPolarHBondContact O-CG 3.24Å; D74-L78 PolarHBondContact O-N 3.29Å; I75-L78 PolarHBondContact O-N 3.12Å; Q76-L78 VanDerWaalsContact C-N 3.34Å; Q76-L78 PolarHBondContact O-N 2.88Å; L78-Q81 PolarHBondContact O-N 3.23Å; L78-L82 WeakPolarHBondContact O-CB 3.27Å; L78-L82 PolarHBondContact O-N 3.39Å |
| 79 | L | 95.5 | Very high | 94 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.2 | -40 | 175.9 | -70.8 | 175.2 | 0 | 0 | 0 | 111.6 | V28 I75 Q76 L82 T83 L115 F122 | V28-L79 HydrophobicContact CG1-CD2 4.25Å; V28-L79 HydrophobicContact CG2-CD2 4.35Å; I75-L79 HydrophobicContact CG2-CD1 4.02Å; I75-L79 HydrophobicContact CG2-CG 4.26Å; I75-L79 WeakPolarHBondContact O-CG 3.44Å; I75-L79 PolarHBondContact O-N 3.37Å; Q76-L79 PolarHBondContact O-N 3.46Å; L79-L82 PolarHBondContact O-N 2.97Å; L79-T83 WeakPolarHBondContact O-CB 3.25Å; L79-T83 PolarHBondContact O-N 3.37Å; L79-T83 PolarHBondContact O-OG1 2.92Å; L79-L115 HydrophobicContact CD2-CD1 4.05Å; L79-F122 HydrophobicContact CD1-CB 4.31Å; L79-F122 HydrophobicContact CD1-CD1 4.09Å; L79-F122 HydrophobicContact CD1-CG 4.34Å |
| 80 | D | 95.9 | Very high | 93.8 | Very high | 88 Ų | 88 | 51.3 Ų | 51.3 | 47% | 0.471 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 175.8 | -66.1 | -15.6 | 0 | 0 | 0 | 110.8 | Q76 N77 T83 N84 | Q76-D80 PolarHBondContact NE2-OD1 2.88Å; Q76-D80 PolarHBondContact O-N 2.81Å; N77-D80 PolarHBondContact O-N 2.88Å; D80-T83 WeakPolarHBondContact O-CB 3.31Å; D80-T83 PolarHBondContact O-N 3.2Å; D80-N84 PolarHBondContact O-N 3.42Å |
| 81 | Q | 95 | Very high | 93.6 | Very high | 67 Ų | 67 | 53.4 Ų | 53.4 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 173.2 | -75.5 | 177.6 | 64.5 | 0 | 0 | 112.3 | L24 N77 L78 T83 N84 V85 | L24-Q81 HydrophobicContact CD1-CB 4.03Å; L24-Q81 HydrophobicContact CD2-CB 4.25Å; N77-Q81 WeakPolarHBondContact O-CB 3.31Å; N77-Q81 WeakPolarHBondContact O-CG 3.38Å; N77-Q81 PolarHBondContact O-N 3.19Å; N77-Q81 PolarHBondContact O-NE2 3.11Å; N77-Q81 PolarHBondContact OD1-NE2 2.87Å; L78-Q81 PolarHBondContact O-N 3.23Å; Q81-T83 VanDerWaalsContact C-N 3.34Å; Q81-N84 PolarHBondContact O-N 2.8Å; Q81-V85 WeakPolarHBondContact O-CG2 3.32Å; Q81-V85 PolarHBondContact O-N 3.31Å |
| 82 | L | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 177.7 | -178.4 | 59.4 | 0 | 0 | 0 | 111 | A21 L24 E25 L78 L79 V85 N86 L115 Y118 | A21-L82 HydrophobicContact CB-CD1 4.05Å; L24-L82 HydrophobicContact CB-CB 4.41Å; L24-L82 HydrophobicContact CB-CD1 4.19Å; L24-L82 HydrophobicContact CD1-CB 4.42Å; E25-L82 HydrophobicContact CG-CD1 4.06Å; E25-L82 HydrophobicContact CG-CD2 3.96Å; L78-L82 WeakPolarHBondContact O-CB 3.27Å; L78-L82 PolarHBondContact O-N 3.39Å; L79-L82 PolarHBondContact O-N 2.97Å; L82-V85 PolarHBondContact O-N 3.45Å; L82-N86 WeakPolarHBondContact O-CB 3.24Å; L82-N86 PolarHBondContact O-N 3.24Å; L82-L115 HydrophobicContact CB-CD1 4.27Å; L82-L115 HydrophobicContact CD2-CD1 3.81Å; L82-L115 HydrophobicContact CG-CD1 3.99Å; L82-Y118 HydrophobicContact CD2-CD2 4.39Å |
| 83 | T | 94.9 | Very high | 92.9 | Very high | 47 Ų | 47 | 53.7 Ų | 53.7 | 29% | 0.288 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 173 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | L79 D80 Q81 V85 N86 E87 L115 | L79-T83 WeakPolarHBondContact O-CB 3.25Å; L79-T83 PolarHBondContact O-N 3.37Å; L79-T83 PolarHBondContact O-OG1 2.92Å; D80-T83 WeakPolarHBondContact O-CB 3.31Å; D80-T83 PolarHBondContact O-N 3.2Å; Q81-T83 VanDerWaalsContact C-N 3.34Å; T83-V85 VanDerWaalsContact C-N 3.33Å; T83-V85 PolarHBondContact O-N 3.33Å; T83-N86 PolarHBondContact O-N 3.13Å; T83-N86 VanDerWaalsContact O-N 3.15Å; T83-E87 WeakPolarHBondContact O-CG 3.49Å; T83-E87 PolarHBondContact O-N 3.41Å; T83-L115 HydrophobicContact CG2-CD2 4.39Å; T83-L115 WeakPolarHBondContact OG1-CD2 3.31Å |
| 84 | N | 95.5 | Very high | 92.3 | Very high | 62 Ų | 62 | 56.7 Ų | 56.7 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 178.3 | -169.9 | -107 | 0 | 0 | 0 | 113.2 | D80 Q81 E87 R88 | D80-N84 PolarHBondContact O-N 3.42Å; Q81-N84 PolarHBondContact O-N 2.8Å; N84-E87 PolarHBondContact O-N 3.5Å; N84-R88 WeakPolarHBondContact O-CG 3.44Å; N84-R88 PolarHBondContact O-N 2.96Å; N84-R88 PolarHBondContact OD1-NE 2.85Å; N84-R88 PolarHBondContact OD1-NH2 3.31Å |
| 85 | V | 94.2 | Very high | 91.5 | Very high | 11 Ų | 11 | 59.2 Ų | 59.2 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 175 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | L17 R20 A21 L24 Q81 L82 T83 R88 M89 | L17-V85 HydrophobicContact CB-CG1 4.39Å; L17-V85 HydrophobicContact CD2-CG1 4.17Å; L17-V85 WeakPolarHBondContact O-CG1 3.45Å; R20-V85 HydrophobicContact CG-CG2 3.98Å; A21-V85 HydrophobicContact CB-CG1 3.87Å; L24-V85 HydrophobicContact CD1-CG2 3.93Å; Q81-V85 WeakPolarHBondContact O-CG2 3.32Å; Q81-V85 PolarHBondContact O-N 3.31Å; L82-V85 PolarHBondContact O-N 3.45Å; T83-V85 VanDerWaalsContact C-N 3.33Å; T83-V85 PolarHBondContact O-N 3.33Å; V85-R88 PolarHBondContact O-N 3.31Å; V85-M89 VanDerWaalsContact O-CB 3.24Å; V85-M89 WeakPolarHBondContact O-CB 3.36Å; V85-M89 PolarHBondContact O-N 3.23Å |
| 86 | N | 93.5 | Very high | 90.5 | Very high | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 176.8 | -77.4 | -12.8 | 0 | 0 | 0 | 112.2 | L82 T83 M89 E90 H111 | L82-N86 WeakPolarHBondContact O-CB 3.24Å; L82-N86 PolarHBondContact O-N 3.24Å; T83-N86 PolarHBondContact O-N 3.13Å; T83-N86 VanDerWaalsContact O-N 3.15Å; N86-M89 WeakPolarHBondContact O-CB 3.35Å; N86-M89 PolarHBondContact O-N 3.47Å; N86-E90 PolarHBondContact O-N 3.08Å; N86-H111 PolarHBondContact ND2-O 3.37Å |
| 87 | E | 93.2 | Very high | 89.5 | Confident | 108 Ų | 108 | 62.6 Ų | 62.6 | 51% | 0.505 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 175 | -73.5 | 174.6 | 166.4 | 0 | 0 | 112 | T83 N84 M89 E90 E91 | T83-E87 WeakPolarHBondContact O-CG 3.49Å; T83-E87 PolarHBondContact O-N 3.41Å; N84-E87 PolarHBondContact O-N 3.5Å; E87-M89 VanDerWaalsContact C-N 3.25Å; E87-M89 PolarHBondContact O-N 2.88Å; E87-E90 WeakPolarHBondContact O-CB 3.33Å; E87-E90 PolarHBondContact O-N 2.98Å; E87-E90 VanDerWaalsContact O-N 3.16Å; E87-E91 WeakPolarHBondContact O-CB 3.46Å; E87-E91 PolarHBondContact O-N 2.94Å |
| 88 | R | 91.3 | Very high | 88.3 | Confident | 135 Ų | 135 | 61.9 Ų | 61.9 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.7 | -37.8 | 174.8 | -72 | 175.9 | -172 | -173.1 | 5.6 | 111.7 | L17 N84 V85 L92 | L17-R88 HydrophobicContact CD1-CB 4.13Å; L17-R88 HydrophobicContact CD2-CB 4.24Å; N84-R88 WeakPolarHBondContact O-CG 3.44Å; N84-R88 PolarHBondContact O-N 2.96Å; N84-R88 PolarHBondContact OD1-NE 2.85Å; N84-R88 PolarHBondContact OD1-NH2 3.31Å; V85-R88 PolarHBondContact O-N 3.31Å; R88-L92 WeakPolarHBondContact O-CG 3.35Å; R88-L92 PolarHBondContact O-N 3.41Å |
| 89 | M | 88.3 | Confident | 87 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 176.3 | -172 | -171.7 | -58.9 | 0 | 0 | 109.8 | W14 L17 R18 A21 V85 N86 E87 L92 L93 M108 | W14-M89 HydrophobicContact CD2-CG 4.47Å; W14-M89 HydrophobicContact CE3-CG 3.67Å; W14-M89 HydrophobicContact CH2-CG 3.26Å; W14-M89 HydrophobicContact CH2-SD 3.59Å; W14-M89 VanDerWaalsContact CH2-SD 3.59Å; W14-M89 HydrophobicContact CZ2-CG 4.18Å; W14-M89 HydrophobicContact CZ2-SD 4.06Å; W14-M89 HydrophobicContact CZ3-CB 4.16Å; W14-M89 HydrophobicContact CZ3-CG 2.98Å; W14-M89 WeakPolarHBondContact CZ3-O 3.47Å; W14-M89 HydrophobicContact CZ3-SD 3.95Å; L17-M89 HydrophobicContact CB-CE 4.14Å; L17-M89 HydrophobicContact CD1-CB 4.29Å; R18-M89 HydrophobicContact CB-CE 4.34Å; R18-M89 HydrophobicContact CG-CE 3.56Å; R18-M89 HydrophobicContact CG-SD 4.06Å; A21-M89 HydrophobicContact CB-CE 4.18Å; V85-M89 VanDerWaalsContact O-CB 3.24Å; V85-M89 WeakPolarHBondContact O-CB 3.36Å; V85-M89 PolarHBondContact O-N 3.23Å; N86-M89 WeakPolarHBondContact O-CB 3.35Å; N86-M89 PolarHBondContact O-N 3.47Å; E87-M89 VanDerWaalsContact C-N 3.25Å; E87-M89 PolarHBondContact O-N 2.88Å; M89-L92 PolarHBondContact O-N 2.99Å; M89-L93 PolarHBondContact O-N 3.46Å; M89-M108 HydrophobicContact CB-CE 3.6Å; M89-M108 HydrophobicContact CG-CE 3.32Å; M89-M108 HydrophobicContact SD-CE 3.72Å |
| 90 | E | 89 | Confident | 85.7 | Confident | 81 Ų | 81 | 74.4 Ų | 74.4 | 38% | 0.379 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 175.2 | 175.4 | 173 | -165.8 | 0 | 0 | 112.5 | N86 E87 L92 L93 R94 M108 R112 | N86-E90 PolarHBondContact O-N 3.08Å; E87-E90 WeakPolarHBondContact O-CB 3.33Å; E87-E90 PolarHBondContact O-N 2.98Å; E87-E90 VanDerWaalsContact O-N 3.16Å; E90-L92 VanDerWaalsContact C-N 3.35Å; E90-L92 PolarHBondContact O-N 3.45Å; E90-L93 PolarHBondContact O-N 2.88Å; E90-L93 VanDerWaalsContact O-N 3.12Å; E90-R94 PolarHBondContact O-N 3.11Å; E90-M108 HydrophobicContact CB-CE 3.98Å; E90-M108 HydrophobicContact CB-SD 4.22Å; E90-R112 IonicContact OE1-CZ 3.97Å; E90-R112 IonicContact OE1-NH2 2.59Å; E90-R112 PolarHBondContact OE1-NH2 3.3Å; E90-R112 IonicContact OE2-CZ 3.96Å; E90-R112 IonicContact OE2-NE 3.15Å; E90-R112 IonicContact OE2-NH2 3.67Å; E90-R112 PolarHBondContact OE2-NH2 3Å |
| 91 | E | 88.5 | Confident | 84.8 | Confident | 99 Ų | 99 | 73.4 Ų | 73.4 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 177.1 | -177.1 | 170.6 | -142.6 | 0 | 0 | 111.3 | E87 L93 R94 D95 | E87-E91 WeakPolarHBondContact O-CB 3.46Å; E87-E91 PolarHBondContact O-N 2.94Å; E91-L93 VanDerWaalsContact C-N 3.3Å; E91-L93 PolarHBondContact O-N 3.23Å; E91-R94 PolarHBondContact O-N 2.98Å; E91-R94 IonicContact OE1-NH2 2.74Å; E91-D95 PolarHBondContact O-N 3.34Å; E91-D95 VanDerWaalsContact O-N 3.16Å |
| 92 | L | 85.4 | Confident | 84.2 | Confident | 42 Ų | 42 | 75.3 Ų | 75.3 | 22% | 0.22 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 174.1 | -75.4 | -177.5 | 0 | 0 | 0 | 112.1 | F10 K13 L17 R88 M89 E90 S96 | F10-L92 HydrophobicContact CD2-CB 4.46Å; F10-L92 HydrophobicContact CE2-CB 4Å; F10-L92 VanDerWaalsContact CE2-O 3.31Å; F10-L92 WeakPolarHBondContact CE2-O 3.27Å; K13-L92 HydrophobicContact CB-CD1 3.92Å; L17-L92 HydrophobicContact CD1-CD1 3.36Å; L17-L92 HydrophobicContact CD1-CG 4.35Å; R88-L92 WeakPolarHBondContact O-CG 3.35Å; R88-L92 PolarHBondContact O-N 3.41Å; M89-L92 PolarHBondContact O-N 2.99Å; E90-L92 VanDerWaalsContact C-N 3.35Å; E90-L92 PolarHBondContact O-N 3.45Å; L92-S96 VanDerWaalsContact O-CB 3.27Å; L92-S96 WeakPolarHBondContact O-CB 3.41Å; L92-S96 PolarHBondContact O-N 3.12Å; L92-S96 PolarHBondContact O-OG 2.79Å |
| 93 | L | 85.8 | Confident | 83.7 | Confident | 13 Ų | 13 | 78.1 Ų | 78.1 | 7% | 0.068 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64 | -47.9 | 176.4 | -77.7 | 178.6 | 0 | 0 | 0 | 111.7 | F10 W14 M89 E90 E91 D95 S96 A99 M108 | F10-L93 HydrophobicContact CZ-CD2 3.99Å; W14-L93 HydrophobicContact CE3-CD2 4.19Å; W14-L93 HydrophobicContact CE3-CG 4.25Å; W14-L93 HydrophobicContact CH2-CD1 3.42Å; W14-L93 VanDerWaalsContact CH2-CD1 3.42Å; W14-L93 HydrophobicContact CH2-CD2 3.71Å; W14-L93 HydrophobicContact CH2-CG 3.5Å; W14-L93 HydrophobicContact CZ2-CD1 4.37Å; W14-L93 HydrophobicContact CZ2-CD2 4.28Å; W14-L93 HydrophobicContact CZ2-CG 4.5Å; W14-L93 HydrophobicContact CZ3-CD1 3.79Å; W14-L93 HydrophobicContact CZ3-CD2 3.63Å; W14-L93 HydrophobicContact CZ3-CG 3.33Å; M89-L93 PolarHBondContact O-N 3.46Å; E90-L93 PolarHBondContact O-N 2.88Å; E90-L93 VanDerWaalsContact O-N 3.12Å; E91-L93 VanDerWaalsContact C-N 3.3Å; E91-L93 PolarHBondContact O-N 3.23Å; L93-D95 PolarHBondContact O-N 2.87Å; L93-S96 PolarHBondContact O-N 3.25Å; L93-S96 PolarHBondContact O-OG 2.86Å; L93-A99 WeakPolarHBondContact O-CB 3.36Å; L93-M108 HydrophobicContact CD1-CB 3.74Å; L93-M108 HydrophobicContact CD1-CE 3.97Å; L93-M108 HydrophobicContact CD1-CG 4.19Å |
| 94 | R | 83.4 | Confident | 83.1 | Confident | 166 Ų | 166 | 76.4 Ų | 76.4 | 63% | 0.626 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -56.1 | -40.4 | -176.5 | -172.8 | 179.2 | 68.1 | -155.4 | -2.2 | 112.2 | E90 E91 S96 | E90-R94 PolarHBondContact O-N 3.11Å; E91-R94 PolarHBondContact O-N 2.98Å; E91-R94 IonicContact OE1-NH2 2.74Å; R94-S96 VanDerWaalsContact C-N 3.29Å; R94-S96 PolarHBondContact O-N 3.44Å |
| 95 | D | 77.5 | Confident | 82.5 | Confident | 123 Ų | 123 | 76.8 Ų | 76.8 | 66% | 0.658 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -6.4 | -177.2 | -64.5 | -8.9 | 0 | 0 | 0 | 113.2 | E91 L93 | E91-D95 PolarHBondContact O-N 3.34Å; E91-D95 VanDerWaalsContact O-N 3.16Å; L93-D95 PolarHBondContact O-N 2.87Å |
| 96 | S | 73.2 | Confident | 82.2 | Confident | 20 Ų | 20 | 82.4 Ų | 82.4 | 14% | 0.14 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -105.8 | 152.6 | -173.4 | 77.7 | 0 | 0 | 0 | 0 | 113.6 | F10 L92 L93 R94 Y98 A99 | F10-S96 WeakPolarHBondContact CE2-OG 3.03Å; L92-S96 VanDerWaalsContact O-CB 3.27Å; L92-S96 WeakPolarHBondContact O-CB 3.41Å; L92-S96 PolarHBondContact O-N 3.12Å; L92-S96 PolarHBondContact O-OG 2.79Å; L93-S96 PolarHBondContact O-N 3.25Å; L93-S96 PolarHBondContact O-OG 2.86Å; R94-S96 VanDerWaalsContact C-N 3.29Å; R94-S96 PolarHBondContact O-N 3.44Å; S96-Y98 PolarHBondContact O-N 2.89Å; S96-Y98 VanDerWaalsContact O-N 3.12Å; S96-Y98 WeakPolarHBondContact OG-CB 3.49Å; S96-Y98 PolarHBondContact OG-N 3.44Å; S96-A99 WeakPolarHBondContact O-CB 3.39Å; S96-A99 PolarHBondContact O-N 3.4Å; S96-A99 VanDerWaalsContact O-N 3.07Å |
| 97 | V | 74.4 | Confident | 82.1 | Confident | 133 Ų | 133 | 84.1 Ų | 84.1 | 81% | 0.806 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -60.4 | -21.1 | 169.3 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | A99 R100 | V97-A99 PolarHBondContact O-N 2.97Å; V97-R100 PolarHBondContact O-N 2.82Å |
| 98 | Y | 70.5 | Confident | 81.8 | Confident | 73 Ų | 73 | 79.3 Ų | 79.3 | 29% | 0.286 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -71.9 | -9.2 | 176.1 | -62.8 | -80.7 | 0 | 0 | 0 | 114.3 | C7 F10 S96 R100 N101 S104 | C7-Y98 PolarHBondContact SG-OH 3.19Å; F10-Y98 AromaticContact CD1-CD2 3.24Å; F10-Y98 HydrophobicContact CD1-CD2 3.24Å; F10-Y98 AromaticContact CD1-CE2 3.38Å; F10-Y98 HydrophobicContact CD1-CE2 3.38Å; F10-Y98 HydrophobicContact CD1-CG 4.11Å; F10-Y98 HydrophobicContact CE1-CD1 4.47Å; F10-Y98 AromaticContact CE1-CD2 3.21Å; F10-Y98 HydrophobicContact CE1-CD2 3.21Å; F10-Y98 AromaticContact CE1-CE2 3.78Å; F10-Y98 HydrophobicContact CE1-CE2 3.78Å; F10-Y98 AromaticContact CE1-CG 3.61Å; F10-Y98 HydrophobicContact CE1-CG 3.61Å; F10-Y98 AromaticContact CG-CD2 4Å; F10-Y98 HydrophobicContact CG-CD2 4Å; F10-Y98 HydrophobicContact CG-CE2 4.18Å; F10-Y98 AromaticContact CZ-CD2 3.93Å; F10-Y98 HydrophobicContact CZ-CD2 3.93Å; F10-Y98 HydrophobicContact CZ-CG 4.21Å; S96-Y98 PolarHBondContact O-N 2.89Å; S96-Y98 VanDerWaalsContact O-N 3.12Å; S96-Y98 WeakPolarHBondContact OG-CB 3.49Å; S96-Y98 PolarHBondContact OG-N 3.44Å; Y98-R100 PolarHBondContact O-N 3.25Å; Y98-R100 VanDerWaalsContact O-N 3.11Å; Y98-N101 WeakPolarHBondContact O-CB 3.48Å; Y98-N101 PolarHBondContact O-N 2.95Å; Y98-S104 PolarHBondContact O-OG 3.39Å |
| 99 | A | 67.1 | Low | 81.9 | Confident | 55 Ų | 55 | 76.8 Ų | 76.8 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -52.4 | -31.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L93 S96 V97 N101 | L93-A99 WeakPolarHBondContact O-CB 3.36Å; S96-A99 WeakPolarHBondContact O-CB 3.39Å; S96-A99 PolarHBondContact O-N 3.4Å; S96-A99 VanDerWaalsContact O-N 3.07Å; V97-A99 PolarHBondContact O-N 2.97Å; A99-N101 VanDerWaalsContact C-N 3.33Å |
| 100 | R | 68.6 | Low | 82.1 | Confident | 231 Ų | 231 | 83.4 Ų | 83.4 | 87% | 0.872 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -83.6 | -8.3 | -178.6 | -141.1 | -177.2 | -60.4 | -138.7 | 1.2 | 113.5 | V97 Y98 P102 | V97-R100 PolarHBondContact O-N 2.82Å; Y98-R100 PolarHBondContact O-N 3.25Å; Y98-R100 VanDerWaalsContact O-N 3.11Å; R100-P102 WeakPolarHBondContact O-CD 3.5Å |
| 101 | N | 77.8 | Confident | 82.2 | Confident | 67 Ų | 67 | 79.7 Ų | 79.7 | 36% | 0.358 | 41% | 0.406 | S | S | . | . | trans | -79 | 120.4 | 178.7 | -174.2 | -24.6 | 0 | 0 | 0 | 109.1 | Y98 A99 A103 S104 S105 | Y98-N101 WeakPolarHBondContact O-CB 3.48Å; Y98-N101 PolarHBondContact O-N 2.95Å; A99-N101 VanDerWaalsContact C-N 3.33Å; N101-A103 PolarHBondContact O-N 3.11Å; N101-A103 WeakPolarHBondContact OD1-CB 3.43Å; N101-A103 PolarHBondContact OD1-N 3.3Å; N101-S104 PolarHBondContact O-N 3.38Å; N101-S104 PolarHBondContact O-OG 3.22Å; N101-S105 PolarHBondContact O-N 3.29Å | ||
| 102 | P | 82.6 | Confident | 82.4 | Confident | 107 Ų | 107 | 79.1 Ų | 79.1 | 70% | 0.695 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.2 | -28.7 | -179.4 | 24.5 | -34 | 0 | 0 | 0 | 112.7 | R100 H106 | R100-P102 WeakPolarHBondContact O-CD 3.5Å; P102-H106 VanDerWaalsContact O-CB 3.32Å; P102-H106 WeakPolarHBondContact O-CB 3.36Å; P102-H106 PolarHBondContact O-N 3.27Å |
| 103 | A | 83.5 | Confident | 82.9 | Confident | 58 Ų | 58 | 81.3 Ų | 81.3 | 48% | 0.479 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70 | -39 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | N101 T107 | N101-A103 PolarHBondContact O-N 3.11Å; N101-A103 WeakPolarHBondContact OD1-CB 3.43Å; N101-A103 PolarHBondContact OD1-N 3.3Å; A103-T107 WeakPolarHBondContact O-CB 3.48Å; A103-T107 PolarHBondContact O-N 2.74Å; A103-T107 PolarHBondContact O-OG1 3.37Å |
| 104 | S | 81.5 | Confident | 83.3 | Confident | 12 Ų | 12 | 82 Ų | 82 | 8% | 0.084 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -71.2 | -41.8 | 177.6 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | Y98 N101 T107 M108 | Y98-S104 PolarHBondContact O-OG 3.39Å; N101-S104 PolarHBondContact O-N 3.38Å; N101-S104 PolarHBondContact O-OG 3.22Å; S104-T107 PolarHBondContact O-N 3.46Å; S104-M108 PolarHBondContact O-N 2.84Å |
| 105 | S | 84.2 | Confident | 83.8 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 49% | 0.49 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 174.1 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | N101 T107 M108 Q109 | N101-S105 PolarHBondContact O-N 3.29Å; S105-T107 PolarHBondContact O-N 2.8Å; S105-M108 PolarHBondContact O-N 3.42Å; S105-Q109 WeakPolarHBondContact O-CB 3.38Å; S105-Q109 PolarHBondContact O-N 3.01Å |
| 106 | H | 87.6 | Confident | 84.6 | Confident | 129 Ų | 129 | 75.7 Ų | 75.7 | 60% | 0.597 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.8 | -41.7 | 175.4 | 177.9 | -90.2 | 0 | 0 | 0 | 112.6 | P102 M108 Q109 R110 | P102-H106 VanDerWaalsContact O-CB 3.32Å; P102-H106 WeakPolarHBondContact O-CB 3.36Å; P102-H106 PolarHBondContact O-N 3.27Å; H106-M108 PolarHBondContact O-N 3Å; H106-Q109 PolarHBondContact O-N 3.34Å; H106-R110 PolarHBondContact O-N 3.05Å |
| 107 | T | 89.7 | Confident | 85.6 | Confident | 44 Ų | 44 | 79.8 Ų | 79.8 | 27% | 0.27 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 177.9 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | W14 A103 S104 S105 R110 H111 | W14-T107 HydrophobicContact CZ2-CG2 4.48Å; A103-T107 WeakPolarHBondContact O-CB 3.48Å; A103-T107 PolarHBondContact O-N 2.74Å; A103-T107 PolarHBondContact O-OG1 3.37Å; S104-T107 PolarHBondContact O-N 3.46Å; S105-T107 PolarHBondContact O-N 2.8Å; T107-R110 PolarHBondContact O-N 3.49Å; T107-H111 PolarHBondContact O-CD2 2.82Å; T107-H111 VanDerWaalsContact O-CD2 3.26Å; T107-H111 PolarHBondContact O-N 3.15Å; T107-H111 VanDerWaalsContact O-N 3.14Å |
| 108 | M | 88.9 | Confident | 86.6 | Confident | 7 Ų | 7 | 75.4 Ų | 75.4 | 3% | 0.034 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 174.5 | 175.2 | 54.4 | 63.1 | 0 | 0 | 111.6 | W14 M89 E90 L93 S104 S105 H106 R110 H111 R112 | W14-M108 HydrophobicContact CH2-CE 4.03Å; W14-M108 HydrophobicContact CZ3-CE 4.32Å; M89-M108 HydrophobicContact CB-CE 3.6Å; M89-M108 HydrophobicContact CG-CE 3.32Å; M89-M108 HydrophobicContact SD-CE 3.72Å; E90-M108 HydrophobicContact CB-CE 3.98Å; E90-M108 HydrophobicContact CB-SD 4.22Å; L93-M108 HydrophobicContact CD1-CB 3.74Å; L93-M108 HydrophobicContact CD1-CE 3.97Å; L93-M108 HydrophobicContact CD1-CG 4.19Å; S104-M108 PolarHBondContact O-N 2.84Å; S105-M108 PolarHBondContact O-N 3.42Å; H106-M108 PolarHBondContact O-N 3Å; M108-R110 VanDerWaalsContact C-N 3.28Å; M108-R110 PolarHBondContact O-N 2.88Å; M108-H111 PolarHBondContact O-N 2.91Å; M108-H111 VanDerWaalsContact O-N 3.16Å; M108-R112 PolarHBondContact O-N 2.82Å; M108-R112 VanDerWaalsContact O-N 3.1Å |
| 109 | Q | 91.4 | Very high | 87.7 | Confident | 83 Ų | 83 | 73.4 Ų | 73.4 | 39% | 0.388 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.7 | -44.4 | 177.2 | -178.5 | 58.6 | 27.7 | 0 | 0 | 111.3 | S105 H106 H111 R112 E113 | S105-Q109 WeakPolarHBondContact O-CB 3.38Å; S105-Q109 PolarHBondContact O-N 3.01Å; H106-Q109 PolarHBondContact O-N 3.34Å; Q109-H111 PolarHBondContact O-N 3.45Å; Q109-R112 WeakPolarHBondContact O-CB 3.44Å; Q109-R112 PolarHBondContact O-N 2.84Å; Q109-E113 WeakPolarHBondContact CG-OE1 3.3Å; Q109-E113 PolarHBondContact NE2-OE1 2.81Å; Q109-E113 WeakPolarHBondContact O-CG 3.33Å; Q109-E113 PolarHBondContact O-N 3Å |
| 110 | R | 93 | Very high | 89 | Confident | 138 Ų | 138 | 76.4 Ų | 76.4 | 52% | 0.521 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 176.2 | -173.3 | 175.6 | -175.3 | -92.4 | -1 | 112.9 | H106 T107 M108 R112 E113 I114 | H106-R110 PolarHBondContact O-N 3.05Å; T107-R110 PolarHBondContact O-N 3.49Å; M108-R110 VanDerWaalsContact C-N 3.28Å; M108-R110 PolarHBondContact O-N 2.88Å; R110-R112 VanDerWaalsContact C-N 3.28Å; R110-R112 PolarHBondContact O-N 3.06Å; R110-E113 PolarHBondContact O-N 2.94Å; R110-I114 HydrophobicContact CG-CD1 3.83Å; R110-I114 HydrophobicContact CG-CG1 4.44Å; R110-I114 WeakPolarHBondContact O-CB 3.4Å; R110-I114 VanDerWaalsContact O-CG1 3.26Å; R110-I114 WeakPolarHBondContact O-CG1 3.4Å; R110-I114 PolarHBondContact O-N 3.4Å |
| 111 | H | 92.4 | Very high | 90.2 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.019 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.3 | -33.7 | 177 | -79.3 | -64.6 | 0 | 0 | 0 | 112.5 | E25 N86 T107 M108 Q109 L115 | E25-H111 IonicContact OE1-CE1 2.7Å; E25-H111 PolarHBondContact OE1-CE1 2.96Å; E25-H111 IonicContact OE1-ND1 2.73Å; E25-H111 PolarHBondContact OE1-ND1 3.31Å; N86-H111 PolarHBondContact ND2-O 3.37Å; T107-H111 PolarHBondContact O-CD2 2.82Å; T107-H111 VanDerWaalsContact O-CD2 3.26Å; T107-H111 PolarHBondContact O-N 3.15Å; T107-H111 VanDerWaalsContact O-N 3.14Å; M108-H111 PolarHBondContact O-N 2.91Å; M108-H111 VanDerWaalsContact O-N 3.16Å; Q109-H111 PolarHBondContact O-N 3.45Å; H111-L115 WeakPolarHBondContact O-CB 3.21Å; H111-L115 PolarHBondContact O-N 3.28Å; H111-L115 VanDerWaalsContact O-N 3.08Å |
| 112 | R | 92.5 | Very high | 91 | Very high | 86 Ų | 86 | 65 Ų | 65 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.6 | -44.7 | 174 | -70.1 | -177 | 178.3 | 148.1 | -6.8 | 112.6 | E90 M108 Q109 R110 L115 Q116 | E90-R112 IonicContact OE1-CZ 3.97Å; E90-R112 IonicContact OE1-NH2 2.59Å; E90-R112 PolarHBondContact OE1-NH2 3.3Å; E90-R112 IonicContact OE2-CZ 3.96Å; E90-R112 IonicContact OE2-NE 3.15Å; E90-R112 IonicContact OE2-NH2 3.67Å; E90-R112 PolarHBondContact OE2-NH2 3Å; M108-R112 PolarHBondContact O-N 2.82Å; M108-R112 VanDerWaalsContact O-N 3.1Å; Q109-R112 WeakPolarHBondContact O-CB 3.44Å; Q109-R112 PolarHBondContact O-N 2.84Å; R110-R112 VanDerWaalsContact C-N 3.28Å; R110-R112 PolarHBondContact O-N 3.06Å; R112-L115 PolarHBondContact O-N 2.93Å; R112-Q116 WeakPolarHBondContact O-CG 3.43Å; R112-Q116 PolarHBondContact O-N 3.48Å |
| 113 | E | 95.4 | Very high | 91.6 | Very high | 89 Ų | 89 | 67.6 Ų | 67.6 | 42% | 0.416 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 177.6 | -72.4 | 167.8 | -173.3 | 0 | 0 | 110.5 | Q109 R110 L115 Q116 D117 | Q109-E113 WeakPolarHBondContact CG-OE1 3.3Å; Q109-E113 PolarHBondContact NE2-OE1 2.81Å; Q109-E113 WeakPolarHBondContact O-CG 3.33Å; Q109-E113 PolarHBondContact O-N 3Å; R110-E113 PolarHBondContact O-N 2.94Å; E113-L115 PolarHBondContact O-N 3.05Å; E113-Q116 WeakPolarHBondContact O-CB 3.39Å; E113-Q116 PolarHBondContact O-N 3.29Å; E113-Q116 VanDerWaalsContact O-N 3.12Å; E113-D117 PolarHBondContact O-N 3.45Å |
| 114 | I | 94 | Very high | 92 | Very high | 27 Ų | 27 | 72.1 Ų | 72.1 | 14% | 0.138 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 177.2 | -69.8 | 169 | 0 | 0 | 0 | 111.7 | E25 R110 Q116 D117 Y118 | E25-I114 HydrophobicContact CG-CG2 4.22Å; R110-I114 HydrophobicContact CG-CD1 3.83Å; R110-I114 HydrophobicContact CG-CG1 4.44Å; R110-I114 WeakPolarHBondContact O-CB 3.4Å; R110-I114 VanDerWaalsContact O-CG1 3.26Å; R110-I114 WeakPolarHBondContact O-CG1 3.4Å; R110-I114 PolarHBondContact O-N 3.4Å; I114-Q116 VanDerWaalsContact C-N 3.32Å; I114-Q116 PolarHBondContact O-N 3.02Å; I114-D117 PolarHBondContact O-N 2.97Å; I114-Y118 HydrophobicContact CG2-CD2 3.61Å; I114-Y118 HydrophobicContact CG2-CE2 3.21Å; I114-Y118 VanDerWaalsContact O-CD2 3.22Å; I114-Y118 WeakPolarHBondContact O-CD2 3.34Å; I114-Y118 PolarHBondContact O-N 3.42Å |
| 115 | L | 93 | Very high | 92.4 | Very high | 23 Ų | 23 | 71.6 Ų | 71.6 | 12% | 0.12 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 176.9 | 175.7 | 65.1 | 0 | 0 | 0 | 112 | L79 L82 T83 H111 R112 E113 S119 | L79-L115 HydrophobicContact CD2-CD1 4.05Å; L82-L115 HydrophobicContact CB-CD1 4.27Å; L82-L115 HydrophobicContact CD2-CD1 3.81Å; L82-L115 HydrophobicContact CG-CD1 3.99Å; T83-L115 HydrophobicContact CG2-CD2 4.39Å; T83-L115 WeakPolarHBondContact OG1-CD2 3.31Å; H111-L115 WeakPolarHBondContact O-CB 3.21Å; H111-L115 PolarHBondContact O-N 3.28Å; H111-L115 VanDerWaalsContact O-N 3.08Å; R112-L115 PolarHBondContact O-N 2.93Å; E113-L115 PolarHBondContact O-N 3.05Å; L115-S119 WeakPolarHBondContact O-CB 3.39Å; L115-S119 PolarHBondContact O-N 3.36Å; L115-S119 PolarHBondContact O-OG 2.97Å |
| 116 | Q | 94.6 | Very high | 92.8 | Very high | 134 Ų | 134 | 71.6 Ų | 71.6 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.2 | -43.3 | 175.6 | -74.9 | -179.3 | -6.4 | 0 | 0 | 111.4 | R112 E113 I114 S119 H120 | R112-Q116 WeakPolarHBondContact O-CG 3.43Å; R112-Q116 PolarHBondContact O-N 3.48Å; E113-Q116 WeakPolarHBondContact O-CB 3.39Å; E113-Q116 PolarHBondContact O-N 3.29Å; E113-Q116 VanDerWaalsContact O-N 3.12Å; I114-Q116 VanDerWaalsContact C-N 3.32Å; I114-Q116 PolarHBondContact O-N 3.02Å; Q116-S119 PolarHBondContact O-N 2.99Å; Q116-H120 WeakPolarHBondContact O-CB 3.47Å; Q116-H120 PolarHBondContact O-N 2.91Å |
| 117 | D | 96 | Very high | 92.9 | Very high | 106 Ų | 106 | 67.2 Ų | 67.2 | 57% | 0.567 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.1 | -48.4 | 177 | -71.4 | -20.8 | 0 | 0 | 0 | 110.9 | E113 I114 S119 H120 E121 | E113-D117 PolarHBondContact O-N 3.45Å; I114-D117 PolarHBondContact O-N 2.97Å; D117-S119 VanDerWaalsContact C-N 3.35Å; D117-S119 PolarHBondContact O-N 3.42Å; D117-H120 PolarHBondContact O-N 2.74Å; D117-E121 WeakPolarHBondContact O-CB 3.4Å; D117-E121 PolarHBondContact O-N 3.31Å |
| 118 | Y | 94.5 | Very high | 93 | Very high | 40 Ų | 40 | 69.3 Ų | 69.3 | 16% | 0.157 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -41 | 175.8 | -72.8 | -50 | 0 | 0 | 0 | 112.7 | E25 V28 D29 L32 L82 I114 H120 E121 F122 | E25-Y118 HydrophobicContact CB-CE2 4.02Å; E25-Y118 HydrophobicContact CG-CE2 4.04Å; E25-Y118 PolarHBondContact O-OH 2.84Å; V28-Y118 HydrophobicContact CG1-CD1 3.74Å; V28-Y118 HydrophobicContact CG1-CD2 4.22Å; V28-Y118 HydrophobicContact CG1-CE1 4.17Å; V28-Y118 HydrophobicContact CG1-CG 3.78Å; D29-Y118 HydrophobicContact CB-CE1 4.48Å; L32-Y118 HydrophobicContact CD1-CD1 3.64Å; L32-Y118 HydrophobicContact CD1-CE1 4.32Å; L32-Y118 HydrophobicContact CD1-CG 4.5Å; L82-Y118 HydrophobicContact CD2-CD2 4.39Å; I114-Y118 HydrophobicContact CG2-CD2 3.61Å; I114-Y118 HydrophobicContact CG2-CE2 3.21Å; I114-Y118 VanDerWaalsContact O-CD2 3.22Å; I114-Y118 WeakPolarHBondContact O-CD2 3.34Å; I114-Y118 PolarHBondContact O-N 3.42Å; Y118-H120 VanDerWaalsContact C-N 3.3Å; Y118-H120 PolarHBondContact O-N 3.25Å; Y118-E121 PolarHBondContact O-N 2.99Å; Y118-F122 WeakPolarHBondContact O-CB 3.28Å; Y118-F122 PolarHBondContact O-N 2.9Å |
| 119 | S | 94.1 | Very high | 93 | Very high | 31 Ų | 31 | 69 Ų | 69 | 22% | 0.217 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.3 | -33.4 | 177.5 | -60 | 0 | 0 | 0 | 0 | 112.4 | L115 Q116 D117 R123 | L115-S119 WeakPolarHBondContact O-CB 3.39Å; L115-S119 PolarHBondContact O-N 3.36Å; L115-S119 PolarHBondContact O-OG 2.97Å; Q116-S119 PolarHBondContact O-N 2.99Å; D117-S119 VanDerWaalsContact C-N 3.35Å; D117-S119 PolarHBondContact O-N 3.42Å; S119-R123 PolarHBondContact O-N 3.33Å; S119-R123 PolarHBondContact O-NE 3.16Å; S119-R123 VanDerWaalsContact O-NE 3.11Å |
| 120 | H | 94.6 | Very high | 92.9 | Very high | 119 Ų | 119 | 68 Ų | 68 | 55% | 0.551 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -74.9 | -44.9 | 175.9 | -178.4 | -99 | 0 | 0 | 0 | 111.2 | Q116 D117 Y118 R123 R124 | Q116-H120 WeakPolarHBondContact O-CB 3.47Å; Q116-H120 PolarHBondContact O-N 2.91Å; D117-H120 PolarHBondContact O-N 2.74Å; Y118-H120 VanDerWaalsContact C-N 3.3Å; Y118-H120 PolarHBondContact O-N 3.25Å; H120-R123 PolarHBondContact O-N 3.06Å; H120-R124 WeakPolarHBondContact O-CB 3.47Å; H120-R124 PolarHBondContact O-N 2.91Å |
| 121 | E | 93.9 | Very high | 92.6 | Very high | 50 Ų | 50 | 65.9 Ų | 65.9 | 23% | 0.234 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 175.9 | -173.8 | 178.3 | -177.5 | 0 | 0 | 111.5 | N36 D117 Y118 R123 R124 A125 | N36-E121 PolarHBondContact ND2-OE1 3.29Å; D117-E121 WeakPolarHBondContact O-CB 3.4Å; D117-E121 PolarHBondContact O-N 3.31Å; Y118-E121 PolarHBondContact O-N 2.99Å; E121-R123 PolarHBondContact O-N 3.42Å; E121-R124 WeakPolarHBondContact O-CB 3.37Å; E121-R124 PolarHBondContact O-N 3.47Å; E121-A125 WeakPolarHBondContact O-CB 3.39Å; E121-A125 PolarHBondContact O-N 2.96Å |
| 122 | F | 93.9 | Very high | 92.3 | Very high | 7 Ų | 7 | 67.2 Ų | 67.2 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.7 | -50.2 | 176.6 | 176.1 | -121.5 | 0 | 0 | 0 | 111.5 | L32 L35 I75 L79 Y118 R124 A125 Q126 | L32-F122 HydrophobicContact CD2-CB 3.97Å; L32-F122 HydrophobicContact CD2-CD2 4.08Å; L35-F122 HydrophobicContact CD2-CD2 3.9Å; L35-F122 HydrophobicContact CD2-CE2 4.01Å; I75-F122 HydrophobicContact CB-CD2 4.08Å; I75-F122 HydrophobicContact CB-CE2 3.9Å; I75-F122 HydrophobicContact CB-CZ 4.42Å; I75-F122 HydrophobicContact CD1-CD2 4.07Å; I75-F122 HydrophobicContact CD1-CE2 4.03Å; I75-F122 HydrophobicContact CG2-CB 4.37Å; I75-F122 HydrophobicContact CG2-CD1 4.4Å; I75-F122 HydrophobicContact CG2-CD2 3.5Å; I75-F122 HydrophobicContact CG2-CE2 3.82Å; I75-F122 HydrophobicContact CG2-CG 3.83Å; I75-F122 HydrophobicContact CG2-CZ 4.38Å; L79-F122 HydrophobicContact CD1-CB 4.31Å; L79-F122 HydrophobicContact CD1-CD1 4.09Å; L79-F122 HydrophobicContact CD1-CG 4.34Å; Y118-F122 WeakPolarHBondContact O-CB 3.28Å; Y118-F122 PolarHBondContact O-N 2.9Å; F122-R124 VanDerWaalsContact C-N 3.32Å; F122-R124 PolarHBondContact O-N 3.13Å; F122-A125 PolarHBondContact O-N 3.42Å; F122-Q126 VanDerWaalsContact O-CB 3.24Å; F122-Q126 WeakPolarHBondContact O-CB 3.32Å; F122-Q126 PolarHBondContact O-N 3.24Å |
| 123 | R | 93.8 | Very high | 91.9 | Very high | 162 Ų | 162 | 63.1 Ų | 63.1 | 61% | 0.611 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.5 | -40.7 | 176.8 | -82.3 | -178 | -74.8 | -161.6 | -1.2 | 112.6 | S119 H120 E121 Q126 G127 | S119-R123 PolarHBondContact O-N 3.33Å; S119-R123 PolarHBondContact O-NE 3.16Å; S119-R123 VanDerWaalsContact O-NE 3.11Å; H120-R123 PolarHBondContact O-N 3.06Å; E121-R123 PolarHBondContact O-N 3.42Å; R123-Q126 PolarHBondContact O-N 2.81Å; R123-G127 PolarHBondContact O-N 3.2Å |
| 124 | R | 92.6 | Very high | 91.4 | Very high | 153 Ų | 153 | 64.3 Ų | 64.3 | 58% | 0.577 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.1 | -46.8 | 176.3 | -172.8 | -174.5 | 70.6 | -169.6 | -1.7 | 111.3 | H120 E121 F122 G127 N128 | H120-R124 WeakPolarHBondContact O-CB 3.47Å; H120-R124 PolarHBondContact O-N 2.91Å; E121-R124 WeakPolarHBondContact O-CB 3.37Å; E121-R124 PolarHBondContact O-N 3.47Å; F122-R124 VanDerWaalsContact C-N 3.32Å; F122-R124 PolarHBondContact O-N 3.13Å; R124-G127 PolarHBondContact O-N 3.43Å; R124-N128 WeakPolarHBondContact O-CB 3.23Å; R124-N128 PolarHBondContact O-N 3.12Å |
| 125 | A | 90.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 69.9 Ų | 69.9 | 2% | 0.017 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | L35 N36 E121 F122 N128 I129 | L35-A125 HydrophobicContact CD2-CB 3.81Å; L35-A125 HydrophobicContact CG-CB 4.45Å; N36-A125 WeakPolarHBondContact OD1-CB 3.22Å; E121-A125 WeakPolarHBondContact O-CB 3.39Å; E121-A125 PolarHBondContact O-N 2.96Å; F122-A125 PolarHBondContact O-N 3.42Å; A125-N128 PolarHBondContact O-N 3.44Å; A125-I129 VanDerWaalsContact O-CG1 3.31Å; A125-I129 WeakPolarHBondContact O-CG1 3.24Å; A125-I129 PolarHBondContact O-N 2.97Å |
| 126 | Q | 92.3 | Very high | 90.2 | Very high | 70 Ų | 70 | 70.5 Ų | 70.5 | 33% | 0.327 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 176.4 | -166.2 | -171.7 | 2.1 | 0 | 0 | 111.5 | F68 F122 R123 I129 N130 | F68-Q126 HydrophobicContact CE1-CG 4.49Å; F68-Q126 HydrophobicContact CE2-CG 4.22Å; F68-Q126 HydrophobicContact CZ-CB 4.27Å; F68-Q126 HydrophobicContact CZ-CG 3.56Å; F122-Q126 VanDerWaalsContact O-CB 3.24Å; F122-Q126 WeakPolarHBondContact O-CB 3.32Å; F122-Q126 PolarHBondContact O-N 3.24Å; R123-Q126 PolarHBondContact O-N 2.81Å; Q126-I129 PolarHBondContact O-N 3.44Å; Q126-N130 WeakPolarHBondContact O-CB 3.42Å; Q126-N130 PolarHBondContact O-N 3.44Å; Q126-N130 PolarHBondContact O-ND2 3.29Å |
| 127 | G | 90.3 | Very high | 89.5 | Confident | 37 Ų | 37 | 66.4 Ų | 66.4 | 38% | 0.381 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R123 R124 I129 N130 V131 | R123-G127 PolarHBondContact O-N 3.2Å; R124-G127 PolarHBondContact O-N 3.43Å; G127-I129 PolarHBondContact O-N 2.88Å; G127-N130 PolarHBondContact O-N 2.94Å; G127-V131 WeakPolarHBondContact O-CG2 3.45Å; G127-V131 PolarHBondContact O-N 2.86Å |
| 128 | N | 90.4 | Very high | 88.6 | Confident | 87 Ų | 87 | 66.8 Ų | 66.8 | 47% | 0.465 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 177.9 | -176.4 | 49.7 | 0 | 0 | 0 | 112.2 | R124 A125 V131 L132 | R124-N128 WeakPolarHBondContact O-CB 3.23Å; R124-N128 PolarHBondContact O-N 3.12Å; A125-N128 PolarHBondContact O-N 3.44Å; N128-V131 PolarHBondContact O-N 3.36Å; N128-L132 VanDerWaalsContact O-CG 3.31Å; N128-L132 WeakPolarHBondContact O-CG 3.36Å; N128-L132 PolarHBondContact O-N 3.08Å |
| 129 | I | 88.7 | Confident | 87.6 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.7 | -36.8 | 179.9 | -65.9 | 166 | 0 | 0 | 0 | 111.4 | L35 F68 A125 Q126 G127 L132 L133 | L35-I129 HydrophobicContact CD1-CD1 3.65Å; L35-I129 HydrophobicContact CD2-CD1 4.44Å; L35-I129 HydrophobicContact CG-CD1 3.58Å; L35-I129 VanDerWaalsContact O-CD1 3.25Å; L35-I129 WeakPolarHBondContact O-CD1 3.4Å; F68-I129 HydrophobicContact CB-CG2 4.34Å; F68-I129 HydrophobicContact CD1-CG2 4.3Å; F68-I129 HydrophobicContact CD2-CB 3.89Å; F68-I129 HydrophobicContact CD2-CD1 3.77Å; F68-I129 HydrophobicContact CD2-CG1 4.43Å; F68-I129 HydrophobicContact CD2-CG2 3.36Å; F68-I129 HydrophobicContact CE1-CG2 4.43Å; F68-I129 HydrophobicContact CE2-CB 3.57Å; F68-I129 HydrophobicContact CE2-CD1 3.75Å; F68-I129 HydrophobicContact CE2-CG1 4.26Å; F68-I129 HydrophobicContact CE2-CG2 3.55Å; F68-I129 HydrophobicContact CG-CG2 3.75Å; F68-I129 HydrophobicContact CZ-CB 4.1Å; F68-I129 HydrophobicContact CZ-CG2 4.06Å; A125-I129 VanDerWaalsContact O-CG1 3.31Å; A125-I129 WeakPolarHBondContact O-CG1 3.24Å; A125-I129 PolarHBondContact O-N 2.97Å; Q126-I129 PolarHBondContact O-N 3.44Å; G127-I129 PolarHBondContact O-N 2.88Å; I129-L132 PolarHBondContact O-N 3.38Å; I129-L133 HydrophobicContact CG2-CD1 3.83Å; I129-L133 HydrophobicContact CG2-CG 4.12Å; I129-L133 WeakPolarHBondContact O-CB 3.5Å; I129-L133 WeakPolarHBondContact O-CG 3.35Å; I129-L133 PolarHBondContact O-N 2.68Å |
| 130 | N | 89.3 | Confident | 86.4 | Confident | 62 Ų | 62 | 65.9 Ų | 65.9 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 174.1 | -85.1 | -65.9 | 0 | 0 | 0 | 111.8 | Q126 G127 L132 L133 E134 | Q126-N130 WeakPolarHBondContact O-CB 3.42Å; Q126-N130 PolarHBondContact O-N 3.44Å; Q126-N130 PolarHBondContact O-ND2 3.29Å; G127-N130 PolarHBondContact O-N 2.94Å; N130-L132 VanDerWaalsContact C-N 3.3Å; N130-L132 PolarHBondContact O-N 3.35Å; N130-L133 PolarHBondContact O-N 2.85Å; N130-E134 VanDerWaalsContact O-CB 3.31Å; N130-E134 WeakPolarHBondContact O-CB 3.27Å; N130-E134 PolarHBondContact O-N 3.27Å |
| 131 | V | 87.7 | Confident | 85.1 | Confident | 93 Ų | 93 | 64 Ų | 64 | 56% | 0.564 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.4 | -41 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | G127 N128 R135 | G127-V131 WeakPolarHBondContact O-CG2 3.45Å; G127-V131 PolarHBondContact O-N 2.86Å; N128-V131 PolarHBondContact O-N 3.36Å; V131-R135 VanDerWaalsContact O-CB 3.24Å; V131-R135 WeakPolarHBondContact O-CB 3.41Å; V131-R135 PolarHBondContact O-N 3.35Å |
| 132 | L | 85.8 | Confident | 83.7 | Confident | 33 Ų | 33 | 64.1 Ų | 64.1 | 17% | 0.173 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.9 | -43.9 | 176.7 | -70.1 | 171.2 | 0 | 0 | 0 | 112.4 | G39 L42 N128 I129 N130 R135 E136 | G39-L132 VanDerWaalsContact O-CD1 3.27Å; G39-L132 WeakPolarHBondContact O-CD1 3.32Å; L42-L132 HydrophobicContact CB-CB 4.16Å; L42-L132 HydrophobicContact CB-CD1 4.3Å; L42-L132 HydrophobicContact CD2-CB 4.22Å; N128-L132 VanDerWaalsContact O-CG 3.31Å; N128-L132 WeakPolarHBondContact O-CG 3.36Å; N128-L132 PolarHBondContact O-N 3.08Å; I129-L132 PolarHBondContact O-N 3.38Å; N130-L132 VanDerWaalsContact C-N 3.3Å; N130-L132 PolarHBondContact O-N 3.35Å; L132-R135 PolarHBondContact O-N 3.16Å; L132-E136 WeakPolarHBondContact O-CB 3.45Å; L132-E136 PolarHBondContact O-N 3.23Å |
| 133 | L | 85.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 176.6 | -81.7 | 170.6 | 0 | 0 | 0 | 111.3 | L42 V61 R65 F68 I129 N130 E136 L137 | L42-L133 HydrophobicContact CD2-CD2 3.6Å; L42-L133 HydrophobicContact CD2-CG 3.68Å; V61-L133 HydrophobicContact CG1-CD2 4.1Å; R65-L133 HydrophobicContact CB-CD1 4.3Å; R65-L133 HydrophobicContact CB-CD2 4.16Å; F68-L133 HydrophobicContact CB-CD1 4.4Å; F68-L133 HydrophobicContact CD1-CD1 3.87Å; F68-L133 HydrophobicContact CE1-CD1 4.39Å; F68-L133 HydrophobicContact CG-CD1 4.23Å; I129-L133 HydrophobicContact CG2-CD1 3.83Å; I129-L133 HydrophobicContact CG2-CG 4.12Å; I129-L133 WeakPolarHBondContact O-CB 3.5Å; I129-L133 WeakPolarHBondContact O-CG 3.35Å; I129-L133 PolarHBondContact O-N 2.68Å; N130-L133 PolarHBondContact O-N 2.85Å; L133-E136 PolarHBondContact O-N 3.16Å; L133-L137 WeakPolarHBondContact O-CB 3.4Å; L133-L137 WeakPolarHBondContact O-CD1 3.31Å; L133-L137 WeakPolarHBondContact O-CG 3.34Å; L133-L137 PolarHBondContact O-N 3.38Å |
| 134 | E | 84.5 | Confident | 80.5 | Confident | 113 Ų | 113 | 62.7 Ų | 62.7 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 178.1 | -175.2 | 175.8 | -175.8 | 0 | 0 | 111.1 | N130 E136 L137 L138 | N130-E134 VanDerWaalsContact O-CB 3.31Å; N130-E134 WeakPolarHBondContact O-CB 3.27Å; N130-E134 PolarHBondContact O-N 3.27Å; E134-E136 VanDerWaalsContact C-N 3.32Å; E134-E136 PolarHBondContact O-N 2.84Å; E134-L137 PolarHBondContact O-N 2.81Å; E134-L138 HydrophobicContact CG-CD1 4.27Å; E134-L138 VanDerWaalsContact O-CG 3.31Å; E134-L138 WeakPolarHBondContact O-CG 3.45Å; E134-L138 PolarHBondContact O-N 3.12Å |
| 135 | R | 82.2 | Confident | 78.6 | Confident | 145 Ų | 145 | 56.5 Ų | 56.5 | 55% | 0.547 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.7 | -47.2 | 173.4 | 178 | -179.3 | 168.5 | 156.3 | 0 | 111.4 | V131 L132 L138 M139 | V131-R135 VanDerWaalsContact O-CB 3.24Å; V131-R135 WeakPolarHBondContact O-CB 3.41Å; V131-R135 PolarHBondContact O-N 3.35Å; L132-R135 PolarHBondContact O-N 3.16Å; R135-L138 PolarHBondContact O-N 3.06Å; R135-M139 HydrophobicContact CG-SD 4.08Å; R135-M139 WeakPolarHBondContact O-CB 3.48Å; R135-M139 VanDerWaalsContact O-CG 3.24Å; R135-M139 WeakPolarHBondContact O-CG 3.39Å; R135-M139 PolarHBondContact O-N 3.48Å |
| 136 | E | 80 | Confident | 76.8 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.9 | -37.3 | -178.8 | -166.3 | 61.1 | -153.8 | 0 | 0 | 111.8 | F56 V61 L132 L133 E134 M139 A140 | F56-E136 HydrophobicContact CD1-CG 4.19Å; F56-E136 HydrophobicContact CE1-CG 4.29Å; V61-E136 HydrophobicContact CG1-CB 4.36Å; V61-E136 HydrophobicContact CG1-CG 4.24Å; V61-E136 HydrophobicContact CG2-CB 4.45Å; V61-E136 HydrophobicContact CG2-CG 3.49Å; V61-E136 VanDerWaalsContact CG2-CG 3.49Å; L132-E136 WeakPolarHBondContact O-CB 3.45Å; L132-E136 PolarHBondContact O-N 3.23Å; L133-E136 PolarHBondContact O-N 3.16Å; E134-E136 VanDerWaalsContact C-N 3.32Å; E134-E136 PolarHBondContact O-N 2.84Å; E136-M139 PolarHBondContact O-N 3.43Å; E136-A140 VanDerWaalsContact O-CB 3.23Å; E136-A140 WeakPolarHBondContact O-CB 3.42Å; E136-A140 PolarHBondContact O-N 3.41Å |
| 137 | L | 78.9 | Confident | 74.7 | Confident | 48 Ų | 48 | 63.2 Ų | 63.2 | 25% | 0.251 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 175.2 | -71.7 | 161.2 | 0 | 0 | 0 | 112.5 | V61 L133 E134 M139 A140 S141 | V61-L137 HydrophobicContact CG1-CD2 3.7Å; V61-L137 HydrophobicContact CG1-CG 3.85Å; L133-L137 WeakPolarHBondContact O-CB 3.4Å; L133-L137 WeakPolarHBondContact O-CD1 3.31Å; L133-L137 WeakPolarHBondContact O-CG 3.34Å; L133-L137 PolarHBondContact O-N 3.38Å; E134-L137 PolarHBondContact O-N 2.81Å; L137-M139 VanDerWaalsContact C-N 3.31Å; L137-M139 PolarHBondContact O-N 3.36Å; L137-A140 PolarHBondContact O-N 2.59Å; L137-S141 VanDerWaalsContact O-CB 3.23Å; L137-S141 WeakPolarHBondContact O-CB 3.35Å; L137-S141 PolarHBondContact O-N 3.27Å |
| 138 | L | 78.2 | Confident | 72.6 | Confident | 114 Ų | 114 | 69.2 Ų | 69.2 | 60% | 0.597 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.5 | -41.1 | 176 | -69.8 | 173.2 | 0 | 0 | 0 | 110.9 | E134 R135 S141 S142 | E134-L138 HydrophobicContact CG-CD1 4.27Å; E134-L138 VanDerWaalsContact O-CG 3.31Å; E134-L138 WeakPolarHBondContact O-CG 3.45Å; E134-L138 PolarHBondContact O-N 3.12Å; R135-L138 PolarHBondContact O-N 3.06Å; L138-S141 PolarHBondContact O-N 2.93Å; L138-S142 PolarHBondContact O-N 3.49Å; L138-S142 PolarHBondContact O-OG 3.36Å |
| 139 | M | 71.8 | Confident | 70.5 | Confident | 43 Ų | 43 | 70.8 Ų | 70.8 | 21% | 0.212 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.8 | -40.1 | 177.7 | -69.6 | -174.4 | 67.9 | 0 | 0 | 112.9 | R46 R135 E136 L137 S141 S142 N143 | R46-M139 VanDerWaalsContact CZ-CE 3.46Å; R46-M139 VanDerWaalsContact NH2-CE 3.26Å; R135-M139 HydrophobicContact CG-SD 4.08Å; R135-M139 WeakPolarHBondContact O-CB 3.48Å; R135-M139 VanDerWaalsContact O-CG 3.24Å; R135-M139 WeakPolarHBondContact O-CG 3.39Å; R135-M139 PolarHBondContact O-N 3.48Å; E136-M139 PolarHBondContact O-N 3.43Å; L137-M139 VanDerWaalsContact C-N 3.31Å; L137-M139 PolarHBondContact O-N 3.36Å; M139-S141 VanDerWaalsContact C-N 3.32Å; M139-S142 WeakPolarHBondContact CA-OG 3.44Å; M139-S142 PolarHBondContact O-N 3.18Å; M139-S142 PolarHBondContact O-OG 3.11Å; M139-N143 WeakPolarHBondContact O-CB 3.44Å; M139-N143 PolarHBondContact O-N 2.91Å; M139-N143 PolarHBondContact O-OD1 3.3Å |
| 140 | A | 69.7 | Low | 68.4 | Low | 9 Ų | 9 | 77.6 Ų | 77.6 | 7% | 0.074 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64 | -40.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | L58 E136 L137 N143 A144 | L58-A140 HydrophobicContact CD2-CB 3.7Å; L58-A140 HydrophobicContact CG-CB 4.12Å; E136-A140 VanDerWaalsContact O-CB 3.23Å; E136-A140 WeakPolarHBondContact O-CB 3.42Å; E136-A140 PolarHBondContact O-N 3.41Å; L137-A140 PolarHBondContact O-N 2.59Å; A140-N143 PolarHBondContact O-N 3.04Å; A140-A144 WeakPolarHBondContact O-CB 3.36Å; A140-A144 PolarHBondContact O-N 3.48Å |
| 141 | S | 66.4 | Low | 66.3 | Low | 78 Ų | 78 | 82.2 Ų | 82.2 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 173.6 | -176.8 | 0 | 0 | 0 | 0 | 112 | L137 L138 M139 N143 A144 G145 | L137-S141 VanDerWaalsContact O-CB 3.23Å; L137-S141 WeakPolarHBondContact O-CB 3.35Å; L137-S141 PolarHBondContact O-N 3.27Å; L138-S141 PolarHBondContact O-N 2.93Å; M139-S141 VanDerWaalsContact C-N 3.32Å; S141-N143 VanDerWaalsContact C-N 3.33Å; S141-N143 PolarHBondContact O-N 2.74Å; S141-A144 PolarHBondContact O-N 2.96Å; S141-G145 PolarHBondContact O-N 2.95Å |
| 142 | S | 66.3 | Low | 64.1 | Low | 53 Ų | 53 | 81 Ų | 81 | 37% | 0.371 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 176.1 | 62.7 | 0 | 0 | 0 | 0 | 112.2 | L138 M139 G145 I146 | L138-S142 PolarHBondContact O-N 3.49Å; L138-S142 PolarHBondContact O-OG 3.36Å; M139-S142 WeakPolarHBondContact CA-OG 3.44Å; M139-S142 PolarHBondContact O-N 3.18Å; M139-S142 PolarHBondContact O-OG 3.11Å; S142-G145 PolarHBondContact O-N 3.24Å; S142-I146 WeakPolarHBondContact O-CB 3.26Å; S142-I146 VanDerWaalsContact O-CD1 3.26Å; S142-I146 WeakPolarHBondContact O-CD1 3.48Å; S142-I146 WeakPolarHBondContact O-CG1 3.47Å; S142-I146 PolarHBondContact O-N 3.05Å |
| 143 | N | 61.8 | Low | 62.2 | Low | 87 Ų | 87 | 84.2 Ų | 84.2 | 47% | 0.465 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.2 | -40.5 | 178.5 | -69 | -7.4 | 0 | 0 | 0 | 111.8 | M139 A140 S141 G145 I146 C147 | M139-N143 WeakPolarHBondContact O-CB 3.44Å; M139-N143 PolarHBondContact O-N 2.91Å; M139-N143 PolarHBondContact O-OD1 3.3Å; A140-N143 PolarHBondContact O-N 3.04Å; S141-N143 VanDerWaalsContact C-N 3.33Å; S141-N143 PolarHBondContact O-N 2.74Å; N143-G145 VanDerWaalsContact C-N 3.31Å; N143-G145 PolarHBondContact O-N 3.03Å; N143-I146 PolarHBondContact O-N 3.47Å; N143-C147 PolarHBondContact O-N 3.29Å; N143-C147 PolarHBondContact O-SG 3.15Å; N143-C147 VanDerWaalsContact O-SG 3.35Å |
| 144 | A | 58.1 | Low | 60.4 | Low | 52 Ų | 52 | 92.5 Ų | 92.5 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A140 S141 Q148 | A140-A144 WeakPolarHBondContact O-CB 3.36Å; A140-A144 PolarHBondContact O-N 3.48Å; S141-A144 PolarHBondContact O-N 2.96Å; A144-Q148 PolarHBondContact O-N 3.05Å |
| 145 | G | 53.7 | Low | 59 | Low | 24 Ų | 24 | 89.1 Ų | 89.1 | 25% | 0.247 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -61.6 | -50 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | S141 S142 N143 C147 Q148 I149 | S141-G145 PolarHBondContact O-N 2.95Å; S142-G145 PolarHBondContact O-N 3.24Å; N143-G145 VanDerWaalsContact C-N 3.31Å; N143-G145 PolarHBondContact O-N 3.03Å; G145-C147 VanDerWaalsContact C-N 3.32Å; G145-C147 PolarHBondContact O-N 3.37Å; G145-Q148 CarbonylContact O-C 3.57Å; G145-Q148 WeakPolarHBondContact O-CA 3.47Å; G145-Q148 PolarHBondContact O-N 3.46Å; G145-I149 VanDerWaalsContact C-CD1 3.47Å; G145-I149 WeakPolarHBondContact O-CB 3.44Å; G145-I149 VanDerWaalsContact O-CD1 3.26Å; G145-I149 WeakPolarHBondContact O-CD1 3.31Å; G145-I149 WeakPolarHBondContact O-CG1 3.34Å; G145-I149 PolarHBondContact O-N 3.49Å |
| 146 | I | 51.2 | Low | 57.7 | Low | 103 Ų | 103 | 88.8 Ų | 88.8 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.7 | -38.8 | -178.5 | -72.7 | 157.5 | 0 | 0 | 0 | 111.9 | S142 N143 Q148 I149 | S142-I146 WeakPolarHBondContact O-CB 3.26Å; S142-I146 VanDerWaalsContact O-CD1 3.26Å; S142-I146 WeakPolarHBondContact O-CD1 3.48Å; S142-I146 WeakPolarHBondContact O-CG1 3.47Å; S142-I146 PolarHBondContact O-N 3.05Å; N143-I146 PolarHBondContact O-N 3.47Å; I146-Q148 PolarHBondContact O-N 2.93Å; I146-I149 PolarHBondContact O-N 3.4Å; I146-I149 VanDerWaalsContact O-N 3.16Å |
| 147 | C | 48.6 | Very low | 56.7 | Low | 110 Ų | 110 | 93 Ų | 93 | 74% | 0.743 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.1 | -25.1 | 173.4 | -69.4 | 0 | 0 | 0 | 0 | 113 | N143 G145 | N143-C147 PolarHBondContact O-N 3.29Å; N143-C147 PolarHBondContact O-SG 3.15Å; N143-C147 VanDerWaalsContact O-SG 3.35Å; G145-C147 VanDerWaalsContact C-N 3.32Å; G145-C147 PolarHBondContact O-N 3.37Å |
| 148 | Q | 46.8 | Very low | 55.9 | Low | 163 Ų | 163 | 96.8 Ų | 96.8 | 76% | 0.762 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -93.4 | -16.4 | 173 | -157.2 | 170.7 | 43.8 | 0 | 0 | 113.4 | A144 G145 I146 N150 | A144-Q148 PolarHBondContact O-N 3.05Å; G145-Q148 CarbonylContact O-C 3.57Å; G145-Q148 WeakPolarHBondContact O-CA 3.47Å; G145-Q148 PolarHBondContact O-N 3.46Å; I146-Q148 PolarHBondContact O-N 2.93Å; Q148-N150 VanDerWaalsContact C-N 3.3Å; Q148-N150 PolarHBondContact O-N 3.22Å |
| 149 | I | 46.2 | Very low | 55.1 | Low | 119 Ų | 119 | 100.6 Ų | 100.6 | 61% | 0.61 | 58% | 0.578 | S | S | * | * | trans | -86.7 | 5.2 | -178.5 | -67.3 | 158.7 | 0 | 0 | 0 | 112.2 | G145 I146 I151 | G145-I149 VanDerWaalsContact C-CD1 3.47Å; G145-I149 WeakPolarHBondContact O-CB 3.44Å; G145-I149 VanDerWaalsContact O-CD1 3.26Å; G145-I149 WeakPolarHBondContact O-CD1 3.31Å; G145-I149 WeakPolarHBondContact O-CG1 3.34Å; G145-I149 PolarHBondContact O-N 3.49Å; I146-I149 PolarHBondContact O-N 3.4Å; I146-I149 VanDerWaalsContact O-N 3.16Å; I149-I151 PolarHBondContact O-N 3.43Å; I149-I151 VanDerWaalsContact O-N 3.12Å | ||
| 150 | N | 43.7 | Very low | 54.8 | Low | 144 Ų | 144 | 106.9 Ų | 106.9 | 77% | 0.77 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -81.1 | 72.2 | 148.2 | -80.2 | -22.8 | 0 | 0 | 0 | 108.3 | Q148 | Q148-N150 VanDerWaalsContact C-N 3.3Å; Q148-N150 PolarHBondContact O-N 3.22Å |
| 151 | I | 44.9 | Very low | 55 | Low | 159 Ų | 159 | 109 Ų | 109 | 82% | 0.815 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 174.1 | 94 | 149.6 | -77.7 | 140.6 | 0 | 0 | 0 | 107.5 | I149 | I149-I151 PolarHBondContact O-N 3.43Å; I149-I151 VanDerWaalsContact O-N 3.12Å |
| 152 | G | 43.2 | Very low | 55.3 | Low | 67 Ų | 67 | 110.3 Ų | 110.3 | 69% | 0.691 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 79.1 | 124.5 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||
| 153 | S | 45.7 | Very low | 55.7 | Low | 102 Ų | 102 | 113.3 Ų | 113.3 | 71% | 0.713 | 63% | 0.626 | S | S | * | * | trans | 90.6 | 68.6 | 164.5 | 82.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 154 | D | 46.2 | Very low | 56.5 | Low | 173 Ų | 173 | 114.9 Ų | 114.9 | 93% | 0.925 | 63% | 0.629 | S | S | * | * | trans | -28.8 | 132.2 | 139.2 | -161 | 12.3 | 0 | 0 | 0 | 114.2 | ||||
| 155 | G | 54.8 | Low | 57.7 | Low | 42 Ų | 42 | 118.2 Ų | 118.2 | 43% | 0.433 | 64% | 0.638 | S | S | . | * | S | Bend | trans | 115.6 | -42.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 156 | L | 55.9 | Low | 59.1 | Low | 139 Ų | 139 | 123.8 Ų | 123.8 | 73% | 0.728 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -88 | -39.2 | -169 | -73.9 | 172.2 | 0 | 0 | 0 | 114.4 | N158 R159 | L156-N158 VanDerWaalsContact C-N 3.34Å; L156-N158 PolarHBondContact O-N 3.33Å; L156-R159 PolarHBondContact O-N 3.34Å |
| 157 | N | 59.3 | Low | 60.6 | Low | 125 Ų | 125 | 124 Ų | 124 | 67% | 0.668 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.7 | -34.4 | -178.3 | -70.4 | -42.6 | 0 | 0 | 0 | 112.2 | R159 R160 S161 | N157-R159 VanDerWaalsContact C-N 3.32Å; N157-R159 PolarHBondContact O-N 3.21Å; N157-R160 PolarHBondContact O-N 3.46Å; N157-S161 PolarHBondContact O-N 3.3Å; N157-S161 PolarHBondContact O-OG 2.81Å |
| 158 | N | 61.2 | Low | 62.4 | Low | 126 Ų | 126 | 124.1 Ų | 124.1 | 67% | 0.674 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.3 | -31.3 | -178.1 | -152.5 | 35 | 0 | 0 | 0 | 112.8 | L156 S161 D162 | L156-N158 VanDerWaalsContact C-N 3.34Å; L156-N158 PolarHBondContact O-N 3.33Å; N158-S161 WeakPolarHBondContact CA-OG 3.27Å; N158-S161 PolarHBondContact O-OG 3.42Å; N158-D162 VanDerWaalsContact O-CB 3.29Å; N158-D162 WeakPolarHBondContact O-CB 3.48Å; N158-D162 PolarHBondContact O-N 2.85Å |
| 159 | R | 62.2 | Low | 64.3 | Low | 194 Ų | 194 | 122 Ų | 122 | 73% | 0.732 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.5 | -37.9 | 175.6 | -85.7 | -173 | 179.3 | 171.6 | 1.8 | 112.7 | L156 N157 L163 | L156-R159 PolarHBondContact O-N 3.34Å; N157-R159 VanDerWaalsContact C-N 3.32Å; N157-R159 PolarHBondContact O-N 3.21Å; R159-L163 WeakPolarHBondContact O-CB 3.44Å; R159-L163 PolarHBondContact O-N 3.01Å |
| 160 | R | 64 | Low | 66.3 | Low | 176 Ų | 176 | 122.9 Ų | 122.9 | 66% | 0.664 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.9 | -42.4 | -179.9 | 178.9 | 176.4 | -90.8 | 174.2 | -5.3 | 110.7 | N157 L163 F164 | N157-R160 PolarHBondContact O-N 3.46Å; R160-L163 PolarHBondContact O-N 3.02Å; R160-F164 HydrophobicContact CG-CD2 3.86Å; R160-F164 HydrophobicContact CG-CE2 3.45Å; R160-F164 VanDerWaalsContact CG-CE2 3.45Å; R160-F164 HydrophobicContact CG-CZ 4.5Å; R160-F164 WeakPolarHBondContact O-CD2 3.24Å; R160-F164 PolarHBondContact O-N 3Å |
| 161 | S | 75.1 | Confident | 68.6 | Low | 52 Ų | 52 | 120.8 Ų | 120.8 | 36% | 0.364 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.1 | -41.5 | 174.4 | 45.9 | 0 | 0 | 0 | 0 | 112.4 | N157 N158 L163 F164 L165 | N157-S161 PolarHBondContact O-N 3.3Å; N157-S161 PolarHBondContact O-OG 2.81Å; N158-S161 WeakPolarHBondContact CA-OG 3.27Å; N158-S161 PolarHBondContact O-OG 3.42Å; S161-L163 VanDerWaalsContact C-N 3.33Å; S161-L163 PolarHBondContact O-N 3.37Å; S161-F164 PolarHBondContact O-N 3.36Å; S161-L165 WeakPolarHBondContact O-CB 3.19Å; S161-L165 PolarHBondContact O-N 3.47Å |
| 162 | D | 71.6 | Confident | 70.9 | Confident | 107 Ų | 107 | 119.3 Ų | 119.3 | 57% | 0.572 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.8 | -39.9 | 175.7 | -172.7 | 73.6 | 0 | 0 | 0 | 112.1 | N158 L165 K166 | N158-D162 VanDerWaalsContact O-CB 3.29Å; N158-D162 WeakPolarHBondContact O-CB 3.48Å; N158-D162 PolarHBondContact O-N 2.85Å; D162-L165 PolarHBondContact O-N 3.17Å; D162-K166 WeakPolarHBondContact O-CB 3.45Å; D162-K166 PolarHBondContact O-N 3.1Å |
| 163 | L | 75.1 | Confident | 73.2 | Confident | 115 Ų | 115 | 119.2 Ų | 119.2 | 60% | 0.602 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.2 | -45.6 | 176.7 | -170.5 | 72 | 0 | 0 | 0 | 112.2 | R159 R160 S161 K166 E167 | R159-L163 WeakPolarHBondContact O-CB 3.44Å; R159-L163 PolarHBondContact O-N 3.01Å; R160-L163 PolarHBondContact O-N 3.02Å; S161-L163 VanDerWaalsContact C-N 3.33Å; S161-L163 PolarHBondContact O-N 3.37Å; L163-K166 PolarHBondContact O-N 2.84Å; L163-E167 PolarHBondContact O-N 2.7Å |
| 164 | F | 80 | Confident | 75.4 | Confident | 120 Ų | 120 | 117.1 Ų | 117.1 | 53% | 0.526 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.7 | -38.4 | 178 | -74.6 | -61 | 0 | 0 | 0 | 112.6 | R160 S161 K166 E167 H168 | R160-F164 HydrophobicContact CG-CD2 3.86Å; R160-F164 HydrophobicContact CG-CE2 3.45Å; R160-F164 VanDerWaalsContact CG-CE2 3.45Å; R160-F164 HydrophobicContact CG-CZ 4.5Å; R160-F164 WeakPolarHBondContact O-CD2 3.24Å; R160-F164 PolarHBondContact O-N 3Å; S161-F164 PolarHBondContact O-N 3.36Å; F164-K166 VanDerWaalsContact C-N 3.34Å; F164-E167 PolarHBondContact O-N 3.16Å; F164-H168 WeakPolarHBondContact O-CB 3.29Å; F164-H168 PolarHBondContact O-N 2.98Å |
| 165 | L | 83.3 | Confident | 77.7 | Confident | 122 Ų | 122 | 113.4 Ų | 113.4 | 64% | 0.639 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.2 | -43.4 | 174 | -103.2 | 145.7 | 0 | 0 | 0 | 111.4 | S161 D162 H168 E169 | S161-L165 WeakPolarHBondContact O-CB 3.19Å; S161-L165 PolarHBondContact O-N 3.47Å; D162-L165 PolarHBondContact O-N 3.17Å; L165-H168 PolarHBondContact O-N 3.31Å; L165-E169 PolarHBondContact O-N 3.42Å |
| 166 | K | 83 | Confident | 79.5 | Confident | 141 Ų | 141 | 118.1 Ų | 118.1 | 61% | 0.613 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.2 | -41.2 | 175.8 | -174.9 | 174.5 | 179.3 | 174.2 | 0 | 112 | D162 L163 F164 E169 H170 | D162-K166 WeakPolarHBondContact O-CB 3.45Å; D162-K166 PolarHBondContact O-N 3.1Å; L163-K166 PolarHBondContact O-N 2.84Å; F164-K166 VanDerWaalsContact C-N 3.34Å; K166-E169 PolarHBondContact O-N 3.44Å; K166-H170 WeakPolarHBondContact O-CB 3.25Å; K166-H170 PolarHBondContact O-N 2.98Å |
| 167 | E | 81.8 | Confident | 81.3 | Confident | 107 Ų | 107 | 116.3 Ų | 116.3 | 50% | 0.5 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.8 | -44.9 | 174.2 | -174.9 | -176.4 | -170.9 | 0 | 0 | 111.1 | L163 F164 E169 H170 I171 | L163-E167 PolarHBondContact O-N 2.7Å; F164-E167 PolarHBondContact O-N 3.16Å; E167-E169 PolarHBondContact O-N 3.14Å; E167-H170 CarbonylContact O-C 3.38Å; E167-H170 WeakPolarHBondContact O-CA 3.48Å; E167-H170 WeakPolarHBondContact O-CB 3.48Å; E167-H170 PolarHBondContact O-N 3.36Å; E167-H170 VanDerWaalsContact O-N 3.12Å; E167-I171 HydrophobicContact CG-CD1 4.05Å; E167-I171 WeakPolarHBondContact O-CG1 3.39Å; E167-I171 PolarHBondContact O-N 3.35Å |
| 168 | H | 87.5 | Confident | 82.9 | Confident | 113 Ų | 113 | 114.4 Ų | 114.4 | 52% | 0.523 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.9 | -44.5 | 177.1 | -175.6 | 94.5 | 0 | 0 | 0 | 112.2 | F164 L165 H170 I171 K172 | F164-H168 WeakPolarHBondContact O-CB 3.29Å; F164-H168 PolarHBondContact O-N 2.98Å; L165-H168 PolarHBondContact O-N 3.31Å; H168-H170 VanDerWaalsContact C-N 3.26Å; H168-H170 PolarHBondContact O-N 3.26Å; H168-I171 PolarHBondContact O-N 2.94Å; H168-K172 WeakPolarHBondContact O-CB 3.25Å; H168-K172 PolarHBondContact O-N 3.04Å |
| 169 | E | 86.2 | Confident | 84.5 | Confident | 118 Ų | 118 | 113.1 Ų | 113.1 | 55% | 0.551 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.5 | -38.3 | 174.9 | -170.7 | 62.9 | -153.1 | 0 | 0 | 111.1 | L165 K166 E167 K172 S173 | L165-E169 PolarHBondContact O-N 3.42Å; K166-E169 PolarHBondContact O-N 3.44Å; E167-E169 PolarHBondContact O-N 3.14Å; E169-K172 PolarHBondContact O-N 3.28Å; E169-S173 VanDerWaalsContact O-CB 3.3Å; E169-S173 WeakPolarHBondContact O-CB 3.44Å; E169-S173 PolarHBondContact O-N 2.93Å |
| 170 | H | 87 | Confident | 86.1 | Confident | 139 Ų | 139 | 108.6 Ų | 108.6 | 64% | 0.644 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.4 | -39.6 | 176.3 | -141.2 | -83.3 | 0 | 0 | 0 | 112.3 | K166 E167 H168 S174 | K166-H170 WeakPolarHBondContact O-CB 3.25Å; K166-H170 PolarHBondContact O-N 2.98Å; E167-H170 CarbonylContact O-C 3.38Å; E167-H170 WeakPolarHBondContact O-CA 3.48Å; E167-H170 WeakPolarHBondContact O-CB 3.48Å; E167-H170 PolarHBondContact O-N 3.36Å; E167-H170 VanDerWaalsContact O-N 3.12Å; H168-H170 VanDerWaalsContact C-N 3.26Å; H168-H170 PolarHBondContact O-N 3.26Å; H170-S174 WeakPolarHBondContact O-CB 3.45Å; H170-S174 PolarHBondContact O-N 3.48Å |
| 171 | I | 91.8 | Very high | 87.5 | Confident | 99 Ų | 99 | 106.3 Ų | 106.3 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64 | -47 | 174.2 | -70 | 167.9 | 0 | 0 | 0 | 109.8 | E167 H168 S173 S174 D175 | E167-I171 HydrophobicContact CG-CD1 4.05Å; E167-I171 WeakPolarHBondContact O-CG1 3.39Å; E167-I171 PolarHBondContact O-N 3.35Å; H168-I171 PolarHBondContact O-N 2.94Å; I171-S173 VanDerWaalsContact C-N 3.34Å; I171-S173 PolarHBondContact O-N 3.26Å; I171-S174 CarbonylContact O-C 3.57Å; I171-S174 WeakPolarHBondContact O-CA 3.45Å; I171-S174 WeakPolarHBondContact O-CB 3.43Å; I171-S174 PolarHBondContact O-N 2.76Å; I171-S174 VanDerWaalsContact O-N 3.12Å; I171-D175 WeakPolarHBondContact O-CB 3.45Å; I171-D175 PolarHBondContact O-N 3.01Å |
| 172 | K | 93.4 | Very high | 88.3 | Confident | 128 Ų | 128 | 108.3 Ų | 108.3 | 56% | 0.557 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.3 | -39 | 179 | -171.8 | 178.9 | -178.9 | -179.2 | 0 | 112.4 | H168 E169 D175 K176 | H168-K172 WeakPolarHBondContact O-CB 3.25Å; H168-K172 PolarHBondContact O-N 3.04Å; E169-K172 PolarHBondContact O-N 3.28Å; K172-D175 PolarHBondContact O-N 3.07Å; K172-K176 PolarHBondContact O-N 2.89Å; K172-K176 VanDerWaalsContact O-N 3.13Å |
| 173 | S | 91.8 | Very high | 89.4 | Confident | 65 Ų | 65 | 105 Ų | 105 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 171.9 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | E169 I171 K176 L177 | E169-S173 VanDerWaalsContact O-CB 3.3Å; E169-S173 WeakPolarHBondContact O-CB 3.44Å; E169-S173 PolarHBondContact O-N 2.93Å; I171-S173 VanDerWaalsContact C-N 3.34Å; I171-S173 PolarHBondContact O-N 3.26Å; S173-K176 PolarHBondContact O-N 3.31Å; S173-L177 WeakPolarHBondContact O-CG 3.36Å; S173-L177 PolarHBondContact O-N 3.12Å |
| 174 | S | 91.6 | Very high | 90.3 | Very high | 58 Ų | 58 | 105.1 Ų | 105.1 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 175.3 | -170.7 | 0 | 0 | 0 | 0 | 112.5 | H170 I171 L177 L178 | H170-S174 WeakPolarHBondContact O-CB 3.45Å; H170-S174 PolarHBondContact O-N 3.48Å; I171-S174 CarbonylContact O-C 3.57Å; I171-S174 WeakPolarHBondContact O-CA 3.45Å; I171-S174 WeakPolarHBondContact O-CB 3.43Å; I171-S174 PolarHBondContact O-N 2.76Å; I171-S174 VanDerWaalsContact O-N 3.12Å; S174-L177 PolarHBondContact O-N 2.86Å; S174-L178 VanDerWaalsContact O-CG 3.31Å; S174-L178 WeakPolarHBondContact O-CG 3.31Å; S174-L178 PolarHBondContact O-N 3.46Å |
| 175 | D | 94.8 | Very high | 90.9 | Very high | 95 Ų | 95 | 102.2 Ų | 102.2 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 178.3 | -166.9 | 59.7 | 0 | 0 | 0 | 111 | I171 K172 L177 L178 D179 | I171-D175 WeakPolarHBondContact O-CB 3.45Å; I171-D175 PolarHBondContact O-N 3.01Å; K172-D175 PolarHBondContact O-N 3.07Å; D175-L177 PolarHBondContact O-N 2.94Å; D175-L178 WeakPolarHBondContact O-CB 3.3Å; D175-L178 PolarHBondContact O-N 3.42Å; D175-L178 VanDerWaalsContact O-N 3.16Å; D175-D179 PolarHBondContact O-N 3.47Å |
| 176 | K | 93.1 | Very high | 91.4 | Very high | 142 Ų | 142 | 101.2 Ų | 101.2 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.9 | -42.2 | 173.3 | -177.9 | 171 | 179.2 | 161.7 | 0 | 112.8 | K172 S173 L178 D179 D180 | K172-K176 PolarHBondContact O-N 2.89Å; K172-K176 VanDerWaalsContact O-N 3.13Å; S173-K176 PolarHBondContact O-N 3.31Å; K176-L178 VanDerWaalsContact C-N 3.29Å; K176-L178 PolarHBondContact O-N 2.85Å; K176-D179 PolarHBondContact O-N 3.41Å; K176-D180 PolarHBondContact O-N 3.27Å |
| 177 | L | 92.7 | Very high | 91.9 | Very high | 100 Ų | 100 | 98 Ų | 98 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -34.7 | 176.8 | -69.9 | 173.2 | 0 | 0 | 0 | 112 | S173 S174 D175 Q181 | S173-L177 WeakPolarHBondContact O-CG 3.36Å; S173-L177 PolarHBondContact O-N 3.12Å; S174-L177 PolarHBondContact O-N 2.86Å; D175-L177 PolarHBondContact O-N 2.94Å; L177-Q181 WeakPolarHBondContact O-CB 3.35Å; L177-Q181 VanDerWaalsContact O-CG 3.29Å; L177-Q181 WeakPolarHBondContact O-CG 3.42Å; L177-Q181 PolarHBondContact O-N 2.93Å |
| 178 | L | 93 | Very high | 92.5 | Very high | 85 Ų | 85 | 96.1 Ų | 96.1 | 45% | 0.445 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.7 | -43.9 | 175 | -72.2 | 172.2 | 0 | 0 | 0 | 111.3 | S174 D175 K176 D180 Q181 I182 | S174-L178 VanDerWaalsContact O-CG 3.31Å; S174-L178 WeakPolarHBondContact O-CG 3.31Å; S174-L178 PolarHBondContact O-N 3.46Å; D175-L178 WeakPolarHBondContact O-CB 3.3Å; D175-L178 PolarHBondContact O-N 3.42Å; D175-L178 VanDerWaalsContact O-N 3.16Å; K176-L178 VanDerWaalsContact C-N 3.29Å; K176-L178 PolarHBondContact O-N 2.85Å; L178-D180 VanDerWaalsContact C-N 3.35Å; L178-D180 PolarHBondContact O-N 2.87Å; L178-Q181 PolarHBondContact O-N 2.82Å; L178-I182 WeakPolarHBondContact O-CB 3.35Å; L178-I182 VanDerWaalsContact O-CG1 3.25Å; L178-I182 WeakPolarHBondContact O-CG1 3.36Å; L178-I182 PolarHBondContact O-N 3.31Å |
| 179 | D | 96 | Very high | 92.9 | Very high | 99 Ų | 99 | 97.8 Ų | 97.8 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 175.3 | -87.9 | -13.9 | 0 | 0 | 0 | 112.1 | D175 K176 Q181 I182 G183 | D175-D179 PolarHBondContact O-N 3.47Å; K176-D179 PolarHBondContact O-N 3.41Å; D179-Q181 VanDerWaalsContact C-N 3.34Å; D179-Q181 PolarHBondContact O-N 3.33Å; D179-I182 PolarHBondContact O-N 2.98Å; D179-G183 PolarHBondContact O-N 3.49Å |
| 180 | D | 94.6 | Very high | 93.3 | Very high | 100 Ų | 100 | 98.7 Ų | 98.7 | 54% | 0.535 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 175.6 | -74.3 | -19.1 | 0 | 0 | 0 | 111.4 | K176 L178 G183 L184 | K176-D180 PolarHBondContact O-N 3.27Å; L178-D180 VanDerWaalsContact C-N 3.35Å; L178-D180 PolarHBondContact O-N 2.87Å; D180-G183 PolarHBondContact O-N 2.87Å; D180-L184 WeakPolarHBondContact O-CB 3.32Å; D180-L184 PolarHBondContact O-N 2.95Å |
| 181 | Q | 93.3 | Very high | 93.6 | Very high | 128 Ų | 128 | 94.9 Ų | 94.9 | 60% | 0.598 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.1 | -40.3 | 175.7 | -77.9 | -178.3 | 6.6 | 0 | 0 | 112.5 | L177 L178 D179 L184 A185 | L177-Q181 WeakPolarHBondContact O-CB 3.35Å; L177-Q181 VanDerWaalsContact O-CG 3.29Å; L177-Q181 WeakPolarHBondContact O-CG 3.42Å; L177-Q181 PolarHBondContact O-N 2.93Å; L178-Q181 PolarHBondContact O-N 2.82Å; D179-Q181 VanDerWaalsContact C-N 3.34Å; D179-Q181 PolarHBondContact O-N 3.33Å; Q181-L184 PolarHBondContact O-N 3.45Å; Q181-A185 VanDerWaalsContact O-CB 3.25Å; Q181-A185 WeakPolarHBondContact O-CB 3.31Å; Q181-A185 PolarHBondContact O-N 3.5Å |
| 182 | I | 93.2 | Very high | 93.7 | Very high | 93 Ų | 93 | 95 Ų | 95 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 175 | -69.5 | 165.9 | 0 | 0 | 0 | 109.5 | L178 D179 A185 L186 | L178-I182 WeakPolarHBondContact O-CB 3.35Å; L178-I182 VanDerWaalsContact O-CG1 3.25Å; L178-I182 WeakPolarHBondContact O-CG1 3.36Å; L178-I182 PolarHBondContact O-N 3.31Å; D179-I182 PolarHBondContact O-N 2.98Å; I182-A185 PolarHBondContact O-N 3.4Å; I182-L186 HydrophobicContact CG2-CD1 3.96Å; I182-L186 HydrophobicContact CG2-CG 4.35Å; I182-L186 WeakPolarHBondContact O-CB 3.47Å; I182-L186 VanDerWaalsContact O-CG 3.31Å; I182-L186 WeakPolarHBondContact O-CG 3.36Å; I182-L186 PolarHBondContact O-N 2.8Å |
| 183 | G | 94.8 | Very high | 93.8 | Very high | 39 Ų | 39 | 94.8 Ų | 94.8 | 40% | 0.402 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D179 D180 A185 L186 S187 | D179-G183 PolarHBondContact O-N 3.49Å; D180-G183 PolarHBondContact O-N 2.87Å; G183-A185 PolarHBondContact O-N 3.33Å; G183-L186 PolarHBondContact O-N 3.32Å; G183-S187 WeakPolarHBondContact O-CB 3.45Å; G183-S187 PolarHBondContact O-N 3.2Å |
| 184 | L | 92.6 | Very high | 93.9 | Very high | 116 Ų | 116 | 95.9 Ų | 95.9 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.7 | -41.1 | 175.6 | -178.9 | 63.3 | 0 | 0 | 0 | 112 | D180 Q181 T188 | D180-L184 WeakPolarHBondContact O-CB 3.32Å; D180-L184 PolarHBondContact O-N 2.95Å; Q181-L184 PolarHBondContact O-N 3.45Å; L184-T188 VanDerWaalsContact O-CB 3.31Å; L184-T188 WeakPolarHBondContact O-CB 3.38Å; L184-T188 PolarHBondContact O-N 3.11Å; L184-T188 PolarHBondContact O-OG1 3.34Å |
| 185 | A | 92.8 | Very high | 94 | Very high | 59 Ų | 59 | 98.4 Ų | 98.4 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.1 | -41.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q181 I182 G183 T188 K189 | Q181-A185 VanDerWaalsContact O-CB 3.25Å; Q181-A185 WeakPolarHBondContact O-CB 3.31Å; Q181-A185 PolarHBondContact O-N 3.5Å; I182-A185 PolarHBondContact O-N 3.4Å; G183-A185 PolarHBondContact O-N 3.33Å; A185-T188 PolarHBondContact O-N 2.74Å; A185-K189 WeakPolarHBondContact O-CB 3.34Å; A185-K189 PolarHBondContact O-N 2.97Å |
| 186 | L | 95 | Very high | 93.8 | Very high | 101 Ų | 101 | 102.8 Ų | 102.8 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 175 | -73.4 | 174.1 | 0 | 0 | 0 | 111.4 | I182 G183 T188 K189 E190 | I182-L186 HydrophobicContact CG2-CD1 3.96Å; I182-L186 HydrophobicContact CG2-CG 4.35Å; I182-L186 WeakPolarHBondContact O-CB 3.47Å; I182-L186 VanDerWaalsContact O-CG 3.31Å; I182-L186 WeakPolarHBondContact O-CG 3.36Å; I182-L186 PolarHBondContact O-N 2.8Å; G183-L186 PolarHBondContact O-N 3.32Å; L186-T188 VanDerWaalsContact C-N 3.34Å; L186-T188 PolarHBondContact O-N 3.43Å; L186-K189 WeakPolarHBondContact O-CB 3.45Å; L186-K189 PolarHBondContact O-N 3.46Å; L186-E190 PolarHBondContact O-N 2.96Å |
| 187 | S | 94 | Very high | 93.8 | Very high | 73 Ų | 73 | 99.7 Ų | 99.7 | 51% | 0.51 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 175 | 179.1 | 0 | 0 | 0 | 0 | 112 | G183 E190 S191 | G183-S187 WeakPolarHBondContact O-CB 3.45Å; G183-S187 PolarHBondContact O-N 3.2Å; S187-E190 PolarHBondContact O-N 2.76Å; S187-S191 WeakPolarHBondContact O-CB 3.36Å; S187-S191 PolarHBondContact O-N 3.44Å |
| 188 | T | 94 | Very high | 93.8 | Very high | 69 Ų | 69 | 96.3 Ų | 96.3 | 42% | 0.423 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 176.1 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | L184 A185 L186 E190 S191 L192 | L184-T188 VanDerWaalsContact O-CB 3.31Å; L184-T188 WeakPolarHBondContact O-CB 3.38Å; L184-T188 PolarHBondContact O-N 3.11Å; L184-T188 PolarHBondContact O-OG1 3.34Å; A185-T188 PolarHBondContact O-N 2.74Å; L186-T188 VanDerWaalsContact C-N 3.34Å; L186-T188 PolarHBondContact O-N 3.43Å; T188-E190 VanDerWaalsContact C-N 3.33Å; T188-E190 PolarHBondContact O-N 2.92Å; T188-S191 PolarHBondContact O-N 3.27Å; T188-L192 HydrophobicContact CG2-CD1 4.36Å; T188-L192 WeakPolarHBondContact O-CG 3.43Å; T188-L192 PolarHBondContact O-N 2.91Å |
| 189 | K | 95.2 | Very high | 93.7 | Very high | 148 Ų | 148 | 98 Ų | 98 | 64% | 0.643 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.6 | -44.1 | 175 | 175.3 | -172.2 | 168.8 | -176 | 0 | 111.3 | A185 L186 L192 F193 | A185-K189 WeakPolarHBondContact O-CB 3.34Å; A185-K189 PolarHBondContact O-N 2.97Å; L186-K189 WeakPolarHBondContact O-CB 3.45Å; L186-K189 PolarHBondContact O-N 3.46Å; K189-L192 PolarHBondContact O-N 3.32Å; K189-F193 WeakPolarHBondContact O-CB 3.43Å; K189-F193 PolarHBondContact O-N 3.42Å |
| 190 | E | 95.4 | Very high | 93.5 | Very high | 136 Ų | 136 | 99.6 Ų | 99.6 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.3 | -45.2 | 177.8 | -171.7 | 171.1 | -169.2 | 0 | 0 | 111.4 | L186 S187 T188 L192 F193 V194 | L186-E190 PolarHBondContact O-N 2.96Å; S187-E190 PolarHBondContact O-N 2.76Å; T188-E190 VanDerWaalsContact C-N 3.33Å; T188-E190 PolarHBondContact O-N 2.92Å; E190-L192 PolarHBondContact O-N 2.97Å; E190-F193 WeakPolarHBondContact O-CB 3.5Å; E190-F193 PolarHBondContact O-N 3.11Å; E190-F193 VanDerWaalsContact O-N 3.11Å; E190-V194 WeakPolarHBondContact O-CG2 3.46Å; E190-V194 PolarHBondContact O-N 3.46Å |
| 191 | S | 92.9 | Very high | 93.4 | Very high | 60 Ų | 60 | 98.9 Ų | 98.9 | 42% | 0.42 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 112.3 | S187 T188 F193 V194 Q195 | S187-S191 WeakPolarHBondContact O-CB 3.36Å; S187-S191 PolarHBondContact O-N 3.44Å; T188-S191 PolarHBondContact O-N 3.27Å; S191-F193 VanDerWaalsContact C-N 3.32Å; S191-F193 PolarHBondContact O-N 2.91Å; S191-V194 PolarHBondContact O-N 3.45Å; S191-Q195 WeakPolarHBondContact O-CG 3.42Å; S191-Q195 PolarHBondContact O-N 2.95Å |
| 192 | L | 94.2 | Very high | 93.2 | Very high | 101 Ų | 101 | 97.7 Ų | 97.7 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -36.2 | 175.2 | -71.7 | 177.4 | 0 | 0 | 0 | 112.4 | T188 K189 E190 Q195 R196 | T188-L192 HydrophobicContact CG2-CD1 4.36Å; T188-L192 WeakPolarHBondContact O-CG 3.43Å; T188-L192 PolarHBondContact O-N 2.91Å; K189-L192 PolarHBondContact O-N 3.32Å; E190-L192 PolarHBondContact O-N 2.97Å; L192-Q195 PolarHBondContact O-N 3.47Å; L192-R196 WeakPolarHBondContact O-CB 3.43Å; L192-R196 PolarHBondContact O-N 2.94Å |
| 193 | F | 95.2 | Very high | 93 | Very high | 123 Ų | 123 | 96.7 Ų | 96.7 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 175.9 | -176.8 | -103.5 | 0 | 0 | 0 | 111.9 | K189 E190 S191 Q195 R196 L197 | K189-F193 WeakPolarHBondContact O-CB 3.43Å; K189-F193 PolarHBondContact O-N 3.42Å; E190-F193 WeakPolarHBondContact O-CB 3.5Å; E190-F193 PolarHBondContact O-N 3.11Å; E190-F193 VanDerWaalsContact O-N 3.11Å; S191-F193 VanDerWaalsContact C-N 3.32Å; S191-F193 PolarHBondContact O-N 2.91Å; F193-Q195 VanDerWaalsContact C-N 3.35Å; F193-R196 PolarHBondContact O-N 3.47Å; F193-L197 HydrophobicContact CD1-CD1 3.61Å; F193-L197 HydrophobicContact CE1-CD1 3.3Å; F193-L197 HydrophobicContact CE1-CG 4.24Å; F193-L197 HydrophobicContact CG-CD1 4.45Å; F193-L197 HydrophobicContact CZ-CD1 3.91Å; F193-L197 HydrophobicContact CZ-CG 4.43Å; F193-L197 PolarHBondContact O-N 2.89Å |
| 194 | V | 93.6 | Very high | 92.8 | Very high | 89 Ų | 89 | 100.5 Ų | 100.5 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 173.8 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | E190 S191 R196 L197 G198 | E190-V194 WeakPolarHBondContact O-CG2 3.46Å; E190-V194 PolarHBondContact O-N 3.46Å; S191-V194 PolarHBondContact O-N 3.45Å; V194-R196 PolarHBondContact O-N 3.25Å; V194-L197 WeakPolarHBondContact O-CB 3.32Å; V194-L197 PolarHBondContact O-N 2.85Å; V194-G198 PolarHBondContact O-N 3.27Å |
| 195 | Q | 92.9 | Very high | 92.5 | Very high | 110 Ų | 110 | 102 Ų | 102 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 174.5 | -74 | 177.1 | 23.7 | 0 | 0 | 111.8 | S191 L192 F193 L197 G198 L199 | S191-Q195 WeakPolarHBondContact O-CG 3.42Å; S191-Q195 PolarHBondContact O-N 2.95Å; L192-Q195 PolarHBondContact O-N 3.47Å; F193-Q195 VanDerWaalsContact C-N 3.35Å; Q195-L197 VanDerWaalsContact C-N 3.34Å; Q195-L197 PolarHBondContact O-N 3.32Å; Q195-G198 WeakPolarHBondContact O-CA 3.33Å; Q195-G198 PolarHBondContact O-N 2.81Å; Q195-G198 VanDerWaalsContact O-N 3.16Å; Q195-L199 WeakPolarHBondContact O-CG 3.48Å; Q195-L199 PolarHBondContact O-N 2.84Å |
| 196 | R | 92.1 | Very high | 92.1 | Very high | 188 Ų | 188 | 105.2 Ų | 105.2 | 71% | 0.709 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.3 | -41.9 | 176.1 | -176.7 | 179.7 | 178.2 | -179.1 | 0.2 | 112 | L192 F193 V194 L199 K200 | L192-R196 WeakPolarHBondContact O-CB 3.43Å; L192-R196 PolarHBondContact O-N 2.94Å; F193-R196 PolarHBondContact O-N 3.47Å; V194-R196 PolarHBondContact O-N 3.25Å; R196-L199 PolarHBondContact O-N 2.92Å; R196-K200 WeakPolarHBondContact O-CB 3.46Å; R196-K200 PolarHBondContact O-N 3.45Å |
| 197 | L | 93.2 | Very high | 91.7 | Very high | 77 Ų | 77 | 103.9 Ų | 103.9 | 40% | 0.403 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 173.4 | -79.5 | 159.9 | 0 | 0 | 0 | 111.4 | F193 V194 Q195 K200 N201 | F193-L197 HydrophobicContact CD1-CD1 3.61Å; F193-L197 HydrophobicContact CE1-CD1 3.3Å; F193-L197 HydrophobicContact CE1-CG 4.24Å; F193-L197 HydrophobicContact CG-CD1 4.45Å; F193-L197 HydrophobicContact CZ-CD1 3.91Å; F193-L197 HydrophobicContact CZ-CG 4.43Å; F193-L197 PolarHBondContact O-N 2.89Å; V194-L197 WeakPolarHBondContact O-CB 3.32Å; V194-L197 PolarHBondContact O-N 2.85Å; Q195-L197 VanDerWaalsContact C-N 3.34Å; Q195-L197 PolarHBondContact O-N 3.32Å; L197-K200 PolarHBondContact O-N 2.92Å; L197-N201 WeakPolarHBondContact O-CB 3.48Å; L197-N201 VanDerWaalsContact O-CG 3.26Å; L197-N201 PolarHBondContact O-N 2.86Å; L197-N201 PolarHBondContact O-OD1 3.24Å |
| 198 | G | 92 | Very high | 91.3 | Very high | 29 Ų | 29 | 104 Ų | 104 | 30% | 0.299 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.4 | -50.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | V194 Q195 K200 N201 I202 | V194-G198 PolarHBondContact O-N 3.27Å; Q195-G198 WeakPolarHBondContact O-CA 3.33Å; Q195-G198 PolarHBondContact O-N 2.81Å; Q195-G198 VanDerWaalsContact O-N 3.16Å; G198-K200 VanDerWaalsContact C-N 3.32Å; G198-K200 PolarHBondContact O-N 3.32Å; G198-N201 CarbonylContact O-C 3.54Å; G198-N201 WeakPolarHBondContact O-CB 3.45Å; G198-N201 PolarHBondContact O-N 3.49Å; G198-N201 VanDerWaalsContact O-N 3.11Å; G198-I202 WeakPolarHBondContact O-CG1 3.34Å; G198-I202 PolarHBondContact O-N 2.85Å |
| 199 | L | 91.5 | Very high | 90.5 | Very high | 120 Ų | 120 | 106.4 Ų | 106.4 | 63% | 0.628 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61 | -39 | 175.6 | -70.4 | 175.9 | 0 | 0 | 0 | 112.1 | Q195 R196 N201 I202 S203 | Q195-L199 WeakPolarHBondContact O-CG 3.48Å; Q195-L199 PolarHBondContact O-N 2.84Å; R196-L199 PolarHBondContact O-N 2.92Å; L199-N201 VanDerWaalsContact C-N 3.32Å; L199-N201 PolarHBondContact O-N 3.11Å; L199-I202 PolarHBondContact O-N 3.4Å; L199-S203 WeakPolarHBondContact O-CB 3.43Å; L199-S203 PolarHBondContact O-N 3.16Å |
| 200 | K | 91.8 | Very high | 89.7 | Confident | 132 Ų | 132 | 103.6 Ų | 103.6 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.2 | -38 | 175 | -164.6 | 175 | -174.6 | 178.8 | 0 | 111.3 | R196 L197 G198 S203 K204 | R196-K200 WeakPolarHBondContact O-CB 3.46Å; R196-K200 PolarHBondContact O-N 3.45Å; L197-K200 PolarHBondContact O-N 2.92Å; G198-K200 VanDerWaalsContact C-N 3.32Å; G198-K200 PolarHBondContact O-N 3.32Å; K200-S203 PolarHBondContact O-N 3.47Å; K200-K204 WeakPolarHBondContact O-CB 3.49Å; K200-K204 VanDerWaalsContact O-CG 3.32Å; K200-K204 WeakPolarHBondContact O-CG 3.32Å; K200-K204 PolarHBondContact O-N 3.42Å |
| 201 | N | 92.2 | Very high | 89 | Confident | 85 Ų | 85 | 105.1 Ų | 105.1 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 175.2 | -71.5 | -4.9 | 0 | 0 | 0 | 111.8 | L197 G198 L199 K204 K205 | L197-N201 WeakPolarHBondContact O-CB 3.48Å; L197-N201 VanDerWaalsContact O-CG 3.26Å; L197-N201 PolarHBondContact O-N 2.86Å; L197-N201 PolarHBondContact O-OD1 3.24Å; G198-N201 CarbonylContact O-C 3.54Å; G198-N201 WeakPolarHBondContact O-CB 3.45Å; G198-N201 PolarHBondContact O-N 3.49Å; G198-N201 VanDerWaalsContact O-N 3.11Å; L199-N201 VanDerWaalsContact C-N 3.32Å; L199-N201 PolarHBondContact O-N 3.11Å; N201-K204 PolarHBondContact O-N 2.89Å; N201-K205 WeakPolarHBondContact O-CG 3.44Å; N201-K205 PolarHBondContact O-N 2.75Å |
| 202 | I | 89.2 | Confident | 88.2 | Confident | 104 Ų | 104 | 110.5 Ų | 110.5 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | 173.6 | -67.4 | 164.8 | 0 | 0 | 0 | 110.2 | G198 L199 K204 K205 M206 | G198-I202 WeakPolarHBondContact O-CG1 3.34Å; G198-I202 PolarHBondContact O-N 2.85Å; L199-I202 PolarHBondContact O-N 3.4Å; I202-K204 VanDerWaalsContact C-N 3.33Å; I202-K204 PolarHBondContact O-N 2.93Å; I202-K205 CarbonylContact O-C 3.59Å; I202-K205 WeakPolarHBondContact O-CB 3.37Å; I202-K205 PolarHBondContact O-N 3.09Å; I202-K205 VanDerWaalsContact O-N 3.09Å; I202-M206 WeakPolarHBondContact O-CB 3.42Å; I202-M206 PolarHBondContact O-N 2.72Å |
| 203 | S | 88.7 | Confident | 87.2 | Confident | 71 Ų | 71 | 114 Ų | 114 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.3 | -42.4 | 175.2 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | L199 K200 M206 T207 | L199-S203 WeakPolarHBondContact O-CB 3.43Å; L199-S203 PolarHBondContact O-N 3.16Å; K200-S203 PolarHBondContact O-N 3.47Å; S203-M206 PolarHBondContact O-N 3.03Å; S203-T207 WeakPolarHBondContact O-CG2 3.24Å; S203-T207 PolarHBondContact O-N 3.38Å; S203-T207 PolarHBondContact O-OG1 3.19Å |
| 204 | K | 89.8 | Confident | 86.3 | Confident | 120 Ų | 120 | 111.7 Ų | 111.7 | 52% | 0.522 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.7 | -42.2 | 171.8 | -75.7 | 177.5 | 180 | -177.3 | 0 | 112.5 | K200 N201 I202 T207 T208 | K200-K204 WeakPolarHBondContact O-CB 3.49Å; K200-K204 VanDerWaalsContact O-CG 3.32Å; K200-K204 WeakPolarHBondContact O-CG 3.32Å; K200-K204 PolarHBondContact O-N 3.42Å; N201-K204 PolarHBondContact O-N 2.89Å; I202-K204 VanDerWaalsContact C-N 3.33Å; I202-K204 PolarHBondContact O-N 2.93Å; K204-T207 WeakPolarHBondContact CA-OG1 3.28Å; K204-T207 PolarHBondContact O-OG1 3.37Å; K204-T208 WeakPolarHBondContact O-CB 3.42Å; K204-T208 PolarHBondContact O-N 2.89Å; K204-T208 PolarHBondContact O-OG1 3.34Å |
| 205 | K | 87 | Confident | 85.4 | Confident | 147 Ų | 147 | 110.2 Ų | 110.2 | 64% | 0.639 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.6 | -42.9 | 175.3 | -75.3 | 177.7 | -177.8 | -75.5 | 0 | 111.4 | N201 I202 T208 L209 | N201-K205 WeakPolarHBondContact O-CG 3.44Å; N201-K205 PolarHBondContact O-N 2.75Å; I202-K205 CarbonylContact O-C 3.59Å; I202-K205 WeakPolarHBondContact O-CB 3.37Å; I202-K205 PolarHBondContact O-N 3.09Å; I202-K205 VanDerWaalsContact O-N 3.09Å; K205-T208 CarbonylContact O-C 3.55Å; K205-T208 WeakPolarHBondContact O-CA 3.35Å; K205-T208 WeakPolarHBondContact O-CB 3.5Å; K205-T208 PolarHBondContact O-N 2.9Å; K205-T208 VanDerWaalsContact O-N 3.13Å; K205-L209 WeakPolarHBondContact O-CG 3.35Å; K205-L209 PolarHBondContact O-N 2.85Å |
| 206 | M | 85.1 | Confident | 84.3 | Confident | 126 Ų | 126 | 109 Ų | 109 | 62% | 0.621 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.8 | -47.2 | 178.6 | -175.6 | 157.3 | -177.3 | 0 | 0 | 111.4 | I202 S203 T208 L209 T210 | I202-M206 WeakPolarHBondContact O-CB 3.42Å; I202-M206 PolarHBondContact O-N 2.72Å; S203-M206 PolarHBondContact O-N 3.03Å; M206-T208 PolarHBondContact O-N 3.41Å; M206-L209 WeakPolarHBondContact O-CB 3.46Å; M206-L209 PolarHBondContact O-N 3.07Å; M206-L209 VanDerWaalsContact O-N 3.07Å; M206-T210 PolarHBondContact O-N 3.13Å; M206-T210 PolarHBondContact O-OG1 3.21Å; M206-T210 VanDerWaalsContact O-OG1 3.04Å |
| 207 | T | 86.1 | Confident | 83.6 | Confident | 74 Ų | 74 | 104.7 Ų | 104.7 | 45% | 0.454 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.5 | -33.6 | 173.8 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | S203 K204 K211 | S203-T207 WeakPolarHBondContact O-CG2 3.24Å; S203-T207 PolarHBondContact O-N 3.38Å; S203-T207 PolarHBondContact O-OG1 3.19Å; K204-T207 WeakPolarHBondContact CA-OG1 3.28Å; K204-T207 PolarHBondContact O-OG1 3.37Å; T207-K211 WeakPolarHBondContact O-CG 3.44Å; T207-K211 PolarHBondContact O-N 2.81Å; T207-K211 VanDerWaalsContact O-N 3.08Å |
| 208 | T | 85.1 | Confident | 82.8 | Confident | 74 Ų | 74 | 104.1 Ų | 104.1 | 45% | 0.454 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 172.8 | -54.6 | 0 | 0 | 0 | 0 | 112 | K204 K205 M206 K211 R212 | K204-T208 WeakPolarHBondContact O-CB 3.42Å; K204-T208 PolarHBondContact O-N 2.89Å; K204-T208 PolarHBondContact O-OG1 3.34Å; K205-T208 CarbonylContact O-C 3.55Å; K205-T208 WeakPolarHBondContact O-CA 3.35Å; K205-T208 WeakPolarHBondContact O-CB 3.5Å; K205-T208 PolarHBondContact O-N 2.9Å; K205-T208 VanDerWaalsContact O-N 3.13Å; M206-T208 PolarHBondContact O-N 3.41Å; T208-K211 PolarHBondContact O-N 3.24Å; T208-R212 PolarHBondContact O-N 3.04Å |
| 209 | L | 77.6 | Confident | 81.9 | Confident | 120 Ų | 120 | 108 Ų | 108 | 63% | 0.628 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.6 | -42.6 | 174.7 | -69.8 | 173.8 | 0 | 0 | 0 | 111.7 | K205 M206 K211 R212 Y213 | K205-L209 WeakPolarHBondContact O-CG 3.35Å; K205-L209 PolarHBondContact O-N 2.85Å; M206-L209 WeakPolarHBondContact O-CB 3.46Å; M206-L209 PolarHBondContact O-N 3.07Å; M206-L209 VanDerWaalsContact O-N 3.07Å; L209-K211 VanDerWaalsContact C-N 3.27Å; L209-K211 PolarHBondContact O-N 2.86Å; L209-R212 CarbonylContact O-C 3.58Å; L209-R212 WeakPolarHBondContact O-CA 3.41Å; L209-R212 PolarHBondContact O-N 3.31Å; L209-Y213 PolarHBondContact O-N 3.01Å |
| 210 | T | 78.9 | Confident | 81 | Confident | 90 Ų | 90 | 108.6 Ų | 108.6 | 55% | 0.552 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -58.6 | -39.8 | 174.4 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | M206 R212 Y213 P214 | M206-T210 PolarHBondContact O-N 3.13Å; M206-T210 PolarHBondContact O-OG1 3.21Å; M206-T210 VanDerWaalsContact O-OG1 3.04Å; T210-R212 VanDerWaalsContact C-N 3.27Å; T210-R212 PolarHBondContact O-N 3.38Å; T210-Y213 VanDerWaalsContact O-CB 3.24Å; T210-Y213 WeakPolarHBondContact O-CB 3.48Å; T210-Y213 PolarHBondContact O-N 3.08Å; T210-P214 VanDerWaalsContact O-CD 3.28Å; T210-P214 WeakPolarHBondContact O-CD 3.38Å |
| 211 | K | 78.9 | Confident | 80.1 | Confident | 168 Ų | 168 | 107.7 Ų | 107.7 | 73% | 0.73 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.7 | -26.3 | 173.8 | -73.7 | -180 | -179.3 | -173.6 | 0 | 113.7 | T207 T208 L209 P214 | T207-K211 WeakPolarHBondContact O-CG 3.44Å; T207-K211 PolarHBondContact O-N 2.81Å; T207-K211 VanDerWaalsContact O-N 3.08Å; T208-K211 PolarHBondContact O-N 3.24Å; L209-K211 VanDerWaalsContact C-N 3.27Å; L209-K211 PolarHBondContact O-N 2.86Å; K211-P214 WeakPolarHBondContact O-CD 3.48Å; K211-P214 WeakPolarHBondContact O-CG 3.35Å |
| 212 | R | 77.2 | Confident | 79.2 | Confident | 173 Ų | 173 | 110.9 Ų | 110.9 | 65% | 0.653 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -84.1 | -17.9 | 174.1 | -68.7 | -164.6 | -179.5 | -153.1 | 1.5 | 113.4 | T208 L209 T210 A215 V216 | T208-R212 PolarHBondContact O-N 3.04Å; L209-R212 CarbonylContact O-C 3.58Å; L209-R212 WeakPolarHBondContact O-CA 3.41Å; L209-R212 PolarHBondContact O-N 3.31Å; T210-R212 VanDerWaalsContact C-N 3.27Å; T210-R212 PolarHBondContact O-N 3.38Å; R212-A215 WeakPolarHBondContact O-CA 3.46Å; R212-A215 WeakPolarHBondContact O-CB 3.41Å; R212-A215 PolarHBondContact O-N 2.99Å; R212-V216 PolarHBondContact O-N 3.39Å |
| 213 | Y | 73.1 | Confident | 78.4 | Confident | 173 Ų | 173 | 111.8 Ų | 111.8 | 68% | 0.678 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -53.6 | -45.3 | 177.6 | -148.5 | -93.1 | 0 | 0 | 0 | 114 | L209 T210 A215 V216 H217 | L209-Y213 PolarHBondContact O-N 3.01Å; T210-Y213 VanDerWaalsContact O-CB 3.24Å; T210-Y213 WeakPolarHBondContact O-CB 3.48Å; T210-Y213 PolarHBondContact O-N 3.08Å; Y213-A215 VanDerWaalsContact C-N 3.3Å; Y213-A215 PolarHBondContact O-N 2.96Å; Y213-V216 PolarHBondContact O-N 3.35Å; Y213-H217 WeakPolarHBondContact O-CB 3.43Å; Y213-H217 PolarHBondContact O-N 3.02Å |
| 214 | P | 76.8 | Confident | 77.6 | Confident | 76 Ų | 76 | 114.8 Ų | 114.8 | 49% | 0.494 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65 | -31.6 | 174.4 | 22.1 | -31.9 | 0 | 0 | 0 | 113.1 | T210 K211 H217 S218 | T210-P214 VanDerWaalsContact O-CD 3.28Å; T210-P214 WeakPolarHBondContact O-CD 3.38Å; K211-P214 WeakPolarHBondContact O-CD 3.48Å; K211-P214 WeakPolarHBondContact O-CG 3.35Å; P214-H217 PolarHBondContact O-N 3.32Å; P214-S218 PolarHBondContact O-N 3.31Å; P214-S218 PolarHBondContact O-OG 2.85Å |
| 215 | A | 73.3 | Confident | 76.6 | Confident | 57 Ų | 57 | 112.9 Ų | 112.9 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.8 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R212 Y213 S218 L219 | R212-A215 WeakPolarHBondContact O-CA 3.46Å; R212-A215 WeakPolarHBondContact O-CB 3.41Å; R212-A215 PolarHBondContact O-N 2.99Å; Y213-A215 VanDerWaalsContact C-N 3.3Å; Y213-A215 PolarHBondContact O-N 2.96Å; A215-S218 PolarHBondContact O-N 3.47Å; A215-L219 WeakPolarHBondContact O-CG 3.48Å; A215-L219 PolarHBondContact O-N 3.1Å; A215-L219 VanDerWaalsContact O-N 3.08Å |
| 216 | V | 70.2 | Confident | 75.8 | Confident | 86 Ų | 86 | 114.1 Ų | 114.1 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.9 | -41.6 | 172.1 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | R212 Y213 S218 L219 M220 | R212-V216 PolarHBondContact O-N 3.39Å; Y213-V216 PolarHBondContact O-N 3.35Å; V216-S218 PolarHBondContact O-N 2.86Å; V216-L219 PolarHBondContact O-N 3.28Å; V216-M220 WeakPolarHBondContact O-CB 3.41Å; V216-M220 PolarHBondContact O-N 3.44Å |
| 217 | H | 77.7 | Confident | 75.3 | Confident | 97 Ų | 97 | 117 Ų | 117 | 45% | 0.449 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61 | -44.1 | 176.9 | -171.3 | 76.3 | 0 | 0 | 0 | 111.9 | Y213 P214 L219 M220 Q221 | Y213-H217 WeakPolarHBondContact O-CB 3.43Å; Y213-H217 PolarHBondContact O-N 3.02Å; P214-H217 PolarHBondContact O-N 3.32Å; H217-L219 VanDerWaalsContact C-N 3.33Å; H217-L219 PolarHBondContact O-N 2.83Å; H217-M220 PolarHBondContact O-N 3.19Å; H217-Q221 PolarHBondContact NE2-NE2 3.29Å; H217-Q221 WeakPolarHBondContact O-CB 3.37Å; H217-Q221 PolarHBondContact O-N 3.47Å |
| 218 | S | 77.1 | Confident | 74.8 | Confident | 65 Ų | 65 | 115.4 Ų | 115.4 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.5 | -36.6 | 174.8 | -71.6 | 0 | 0 | 0 | 0 | 112.8 | P214 A215 V216 K222 | P214-S218 PolarHBondContact O-N 3.31Å; P214-S218 PolarHBondContact O-OG 2.85Å; A215-S218 PolarHBondContact O-N 3.47Å; V216-S218 PolarHBondContact O-N 2.86Å; S218-K222 WeakPolarHBondContact O-CB 3.4Å; S218-K222 WeakPolarHBondContact O-CG 3.39Å; S218-K222 PolarHBondContact O-N 3.01Å |
| 219 | L | 72.2 | Confident | 74.4 | Confident | 111 Ų | 111 | 120.2 Ų | 120.2 | 58% | 0.581 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.3 | -43.5 | 174 | -72.8 | 168.1 | 0 | 0 | 0 | 111.6 | A215 V216 H217 K222 I223 | A215-L219 WeakPolarHBondContact O-CG 3.48Å; A215-L219 PolarHBondContact O-N 3.1Å; A215-L219 VanDerWaalsContact O-N 3.08Å; V216-L219 PolarHBondContact O-N 3.28Å; H217-L219 VanDerWaalsContact C-N 3.33Å; H217-L219 PolarHBondContact O-N 2.83Å; L219-K222 PolarHBondContact O-N 3.01Å; L219-I223 PolarHBondContact O-N 3.08Å |
| 220 | M | 72.6 | Confident | 74.7 | Confident | 132 Ų | 132 | 120.4 Ų | 120.4 | 65% | 0.65 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.2 | -46.7 | 177.2 | -164.4 | 91.6 | -177.2 | 0 | 0 | 111.1 | V216 H217 K222 I223 H224 | V216-M220 WeakPolarHBondContact O-CB 3.41Å; V216-M220 PolarHBondContact O-N 3.44Å; H217-M220 PolarHBondContact O-N 3.19Å; M220-K222 PolarHBondContact O-N 3.05Å; M220-I223 PolarHBondContact O-N 3.49Å; M220-H224 PolarHBondContact O-N 3.27Å |
| 221 | Q | 73.7 | Confident | 75 | Confident | 112 Ų | 112 | 119.1 Ų | 119.1 | 52% | 0.523 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.7 | -46.6 | 175.4 | -80.2 | -171.3 | -20.1 | 0 | 0 | 111.3 | H217 I223 H224 V225 | H217-Q221 PolarHBondContact NE2-NE2 3.29Å; H217-Q221 WeakPolarHBondContact O-CB 3.37Å; H217-Q221 PolarHBondContact O-N 3.47Å; Q221-I223 VanDerWaalsContact C-N 3.28Å; Q221-I223 PolarHBondContact O-N 3.04Å; Q221-H224 PolarHBondContact O-N 3.11Å; Q221-H224 VanDerWaalsContact O-N 3.13Å; Q221-V225 WeakPolarHBondContact O-CG2 3.36Å; Q221-V225 PolarHBondContact O-N 3.3Å |
| 222 | K | 72.9 | Confident | 75.3 | Confident | 152 Ų | 152 | 117 Ų | 117 | 66% | 0.661 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.1 | -36.4 | 177.6 | -82.4 | -176.5 | 171.3 | -174.9 | 0 | 113.1 | S218 L219 M220 V225 K226 | S218-K222 WeakPolarHBondContact O-CB 3.4Å; S218-K222 WeakPolarHBondContact O-CG 3.39Å; S218-K222 PolarHBondContact O-N 3.01Å; L219-K222 PolarHBondContact O-N 3.01Å; M220-K222 PolarHBondContact O-N 3.05Å; K222-V225 VanDerWaalsContact O-CG2 3.3Å; K222-V225 WeakPolarHBondContact O-CG2 3.3Å; K222-K226 PolarHBondContact O-N 3.21Å |
| 223 | I | 72.7 | Confident | 75.8 | Confident | 124 Ų | 124 | 113.1 Ų | 113.1 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.7 | -44.4 | 174.9 | -75.7 | 169.4 | 0 | 0 | 0 | 110.8 | L219 M220 Q221 K226 K227 | L219-I223 PolarHBondContact O-N 3.08Å; M220-I223 PolarHBondContact O-N 3.49Å; Q221-I223 VanDerWaalsContact C-N 3.28Å; Q221-I223 PolarHBondContact O-N 3.04Å; I223-K226 PolarHBondContact O-N 3.39Å; I223-K227 PolarHBondContact O-N 3.2Å |
| 224 | H | 71.5 | Confident | 76.6 | Confident | 134 Ų | 134 | 110 Ų | 110 | 62% | 0.62 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.1 | -42.6 | -177.1 | -143.5 | -95.8 | 0 | 0 | 0 | 112 | M220 Q221 K226 K227 S228 | M220-H224 PolarHBondContact O-N 3.27Å; Q221-H224 PolarHBondContact O-N 3.11Å; Q221-H224 VanDerWaalsContact O-N 3.13Å; H224-K226 VanDerWaalsContact C-N 3.31Å; H224-K226 PolarHBondContact O-N 3.13Å; H224-K227 PolarHBondContact O-N 3.25Å; H224-S228 PolarHBondContact O-N 3.27Å; H224-S228 VanDerWaalsContact O-N 3.11Å; H224-S228 PolarHBondContact O-OG 3.33Å |
| 225 | V | 69.6 | Low | 77.4 | Confident | 80 Ų | 80 | 109.3 Ų | 109.3 | 49% | 0.485 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.6 | -34.4 | 176.1 | -70.8 | 0 | 0 | 0 | 0 | 112.4 | Q221 K222 K227 S228 R229 | Q221-V225 WeakPolarHBondContact O-CG2 3.36Å; Q221-V225 PolarHBondContact O-N 3.3Å; K222-V225 VanDerWaalsContact O-CG2 3.3Å; K222-V225 WeakPolarHBondContact O-CG2 3.3Å; V225-K227 VanDerWaalsContact C-N 3.28Å; V225-K227 PolarHBondContact O-N 3.44Å; V225-S228 PolarHBondContact O-N 3.3Å; V225-S228 PolarHBondContact O-OG 3.5Å; V225-R229 VanDerWaalsContact O-CG 3.27Å; V225-R229 WeakPolarHBondContact O-CG 3.4Å; V225-R229 PolarHBondContact O-N 3.44Å; V225-R229 VanDerWaalsContact O-N 3.12Å |
| 226 | K | 70.1 | Confident | 78.3 | Confident | 173 Ų | 173 | 109.4 Ų | 109.4 | 75% | 0.752 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.6 | -32.6 | 178 | -164.9 | 173.7 | 176.4 | -179.9 | 0 | 111.8 | K222 I223 H224 | K222-K226 PolarHBondContact O-N 3.21Å; I223-K226 PolarHBondContact O-N 3.39Å; H224-K226 VanDerWaalsContact C-N 3.31Å; H224-K226 PolarHBondContact O-N 3.13Å |
| 227 | K | 74.4 | Confident | 79.5 | Confident | 186 Ų | 186 | 109.2 Ų | 109.2 | 81% | 0.809 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -75.8 | -31.5 | 176.2 | -171.8 | 168.5 | 179.8 | 175.6 | 0 | 113.1 | I223 H224 V225 | I223-K227 PolarHBondContact O-N 3.2Å; H224-K227 PolarHBondContact O-N 3.25Å; V225-K227 VanDerWaalsContact C-N 3.28Å; V225-K227 PolarHBondContact O-N 3.44Å |
| 228 | S | 75.8 | Confident | 80.4 | Confident | 40 Ų | 40 | 108.5 Ų | 108.5 | 28% | 0.28 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -95.8 | -3.7 | -175.5 | 63.7 | 0 | 0 | 0 | 0 | 115.2 | H224 V225 D230 A231 M232 | H224-S228 PolarHBondContact O-N 3.27Å; H224-S228 VanDerWaalsContact O-N 3.11Å; H224-S228 PolarHBondContact O-OG 3.33Å; V225-S228 PolarHBondContact O-N 3.3Å; V225-S228 PolarHBondContact O-OG 3.5Å; S228-D230 PolarHBondContact O-N 2.99Å; S228-A231 PolarHBondContact O-N 3.12Å; S228-M232 WeakPolarHBondContact O-CB 3.49Å; S228-M232 PolarHBondContact O-N 3.39Å |
| 229 | R | 75.3 | Confident | 81.2 | Confident | 175 Ų | 175 | 108.5 Ų | 108.5 | 66% | 0.66 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -58 | -47.3 | -179.4 | -90.2 | 171.2 | 86 | 156.1 | 7.6 | 112.6 | V225 A231 M232 V233 | V225-R229 VanDerWaalsContact O-CG 3.27Å; V225-R229 WeakPolarHBondContact O-CG 3.4Å; V225-R229 PolarHBondContact O-N 3.44Å; V225-R229 VanDerWaalsContact O-N 3.12Å; R229-A231 PolarHBondContact O-N 3.33Å; R229-M232 PolarHBondContact O-N 3.23Å; R229-V233 WeakPolarHBondContact O-CG2 3.32Å; R229-V233 PolarHBondContact O-N 3.43Å |
| 230 | D | 83.9 | Confident | 82.3 | Confident | 125 Ų | 125 | 108.2 Ų | 108.2 | 67% | 0.668 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.8 | -41.5 | -177.4 | -64 | -11.5 | 0 | 0 | 0 | 111.6 | S228 M232 V233 I234 | S228-D230 PolarHBondContact O-N 2.99Å; D230-M232 VanDerWaalsContact C-N 3.34Å; D230-M232 PolarHBondContact O-N 3.08Å; D230-V233 PolarHBondContact O-N 3.46Å; D230-I234 VanDerWaalsContact O-CG1 3.32Å; D230-I234 WeakPolarHBondContact O-CG1 3.27Å; D230-I234 PolarHBondContact O-N 3.19Å |
| 231 | A | 86.7 | Confident | 83.4 | Confident | 63 Ų | 63 | 105.1 Ų | 105.1 | 52% | 0.521 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.5 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S228 R229 I234 A235 | S228-A231 PolarHBondContact O-N 3.12Å; R229-A231 PolarHBondContact O-N 3.33Å; A231-I234 PolarHBondContact O-N 2.94Å; A231-A235 VanDerWaalsContact O-CB 3.32Å; A231-A235 WeakPolarHBondContact O-CB 3.38Å; A231-A235 PolarHBondContact O-N 3.43Å |
| 232 | M | 84.7 | Confident | 84.4 | Confident | 123 Ų | 123 | 105 Ų | 105 | 61% | 0.606 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.3 | -40.5 | 176.5 | -170.9 | -172.4 | -52.7 | 0 | 0 | 111.7 | S228 R229 D230 A236 | S228-M232 WeakPolarHBondContact O-CB 3.49Å; S228-M232 PolarHBondContact O-N 3.39Å; R229-M232 PolarHBondContact O-N 3.23Å; D230-M232 VanDerWaalsContact C-N 3.34Å; D230-M232 PolarHBondContact O-N 3.08Å; M232-A236 WeakPolarHBondContact O-CB 3.3Å; M232-A236 PolarHBondContact O-N 3.26Å |
| 233 | V | 88.3 | Confident | 85.5 | Confident | 91 Ų | 91 | 102 Ų | 102 | 55% | 0.552 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.8 | -46.8 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | R229 D230 A235 A236 V237 | R229-V233 WeakPolarHBondContact O-CG2 3.32Å; R229-V233 PolarHBondContact O-N 3.43Å; D230-V233 PolarHBondContact O-N 3.46Å; V233-A235 PolarHBondContact O-N 2.92Å; V233-A236 PolarHBondContact O-N 2.98Å; V233-V237 WeakPolarHBondContact O-CG2 3.35Å; V233-V237 PolarHBondContact O-N 2.94Å |
| 234 | I | 89.8 | Confident | 86.5 | Confident | 108 Ų | 108 | 100.9 Ų | 100.9 | 55% | 0.554 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.2 | -45 | 178.4 | -64.5 | 164.9 | 0 | 0 | 0 | 110.7 | D230 A231 A236 V237 V238 | D230-I234 VanDerWaalsContact O-CG1 3.32Å; D230-I234 WeakPolarHBondContact O-CG1 3.27Å; D230-I234 PolarHBondContact O-N 3.19Å; A231-I234 PolarHBondContact O-N 2.94Å; I234-A236 VanDerWaalsContact C-N 3.32Å; I234-A236 PolarHBondContact O-N 3.46Å; I234-V237 PolarHBondContact O-N 3.43Å; I234-V238 HydrophobicContact CG2-CG2 4.39Å; I234-V238 WeakPolarHBondContact O-CG2 3.37Å; I234-V238 PolarHBondContact O-N 3.43Å |
| 235 | A | 92.4 | Very high | 87.6 | Confident | 61 Ų | 61 | 100.8 Ų | 100.8 | 50% | 0.504 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A231 V233 V238 S239 | A231-A235 VanDerWaalsContact O-CB 3.32Å; A231-A235 WeakPolarHBondContact O-CB 3.38Å; A231-A235 PolarHBondContact O-N 3.43Å; V233-A235 PolarHBondContact O-N 2.92Å; A235-V238 PolarHBondContact O-N 3.4Å; A235-S239 WeakPolarHBondContact O-CB 3.44Å; A235-S239 PolarHBondContact O-N 3.2Å |
| 236 | A | 93.1 | Very high | 88.8 | Confident | 60 Ų | 60 | 103.6 Ų | 103.6 | 50% | 0.496 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.5 | -41.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | M232 V233 I234 S239 L240 | M232-A236 WeakPolarHBondContact O-CB 3.3Å; M232-A236 PolarHBondContact O-N 3.26Å; V233-A236 PolarHBondContact O-N 2.98Å; I234-A236 VanDerWaalsContact C-N 3.32Å; I234-A236 PolarHBondContact O-N 3.46Å; A236-S239 PolarHBondContact O-N 2.93Å; A236-L240 WeakPolarHBondContact O-CB 3.35Å; A236-L240 PolarHBondContact O-N 2.98Å |
| 237 | V | 95.6 | Very high | 90 | Very high | 82 Ų | 82 | 99.6 Ų | 99.6 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 176.8 | 174.2 | 0 | 0 | 0 | 0 | 111 | V233 I234 S239 L240 C241 | V233-V237 WeakPolarHBondContact O-CG2 3.35Å; V233-V237 PolarHBondContact O-N 2.94Å; I234-V237 PolarHBondContact O-N 3.43Å; V237-S239 VanDerWaalsContact C-N 3.33Å; V237-S239 PolarHBondContact O-N 3.47Å; V237-L240 WeakPolarHBondContact O-CB 3.32Å; V237-L240 PolarHBondContact O-N 3.49Å; V237-C241 PolarHBondContact O-N 3.02Å; V237-C241 PolarHBondContact O-SG 2.79Å; V237-C241 VanDerWaalsContact O-SG 3.32Å |
| 238 | V | 95.1 | Very high | 90.9 | Very high | 81 Ų | 81 | 99.6 Ų | 99.6 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 177.2 | 174 | 0 | 0 | 0 | 0 | 110.7 | I234 A235 L240 C241 L242 | I234-V238 HydrophobicContact CG2-CG2 4.39Å; I234-V238 WeakPolarHBondContact O-CG2 3.37Å; I234-V238 PolarHBondContact O-N 3.43Å; A235-V238 PolarHBondContact O-N 3.4Å; V238-L240 VanDerWaalsContact C-N 3.33Å; V238-L240 PolarHBondContact O-N 3.28Å; V238-C241 PolarHBondContact O-N 3.04Å; V238-L242 HydrophobicContact CG1-CD1 4.29Å; V238-L242 WeakPolarHBondContact O-CG 3.32Å; V238-L242 PolarHBondContact O-N 3.34Å |
| 239 | S | 94.6 | Very high | 91.6 | Very high | 66 Ų | 66 | 101.9 Ų | 101.9 | 46% | 0.462 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.7 | -42.7 | 175.7 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | A235 A236 V237 L242 I243 | A235-S239 WeakPolarHBondContact O-CB 3.44Å; A235-S239 PolarHBondContact O-N 3.2Å; A236-S239 PolarHBondContact O-N 2.93Å; V237-S239 VanDerWaalsContact C-N 3.33Å; V237-S239 PolarHBondContact O-N 3.47Å; S239-L242 PolarHBondContact O-N 3.46Å; S239-I243 WeakPolarHBondContact O-CD1 3.41Å; S239-I243 VanDerWaalsContact O-CG1 3.3Å; S239-I243 WeakPolarHBondContact O-CG1 3.41Å; S239-I243 PolarHBondContact O-N 3.01Å; S239-I243 VanDerWaalsContact O-N 3.08Å |
| 240 | L | 95.7 | Very high | 92.4 | Very high | 105 Ų | 105 | 98.5 Ų | 98.5 | 55% | 0.55 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.1 | -43.6 | 177 | -171.2 | 79.9 | 0 | 0 | 0 | 111.4 | A236 V237 V238 L242 I243 L244 | A236-L240 WeakPolarHBondContact O-CB 3.35Å; A236-L240 PolarHBondContact O-N 2.98Å; V237-L240 WeakPolarHBondContact O-CB 3.32Å; V237-L240 PolarHBondContact O-N 3.49Å; V238-L240 VanDerWaalsContact C-N 3.33Å; V238-L240 PolarHBondContact O-N 3.28Å; L240-L242 VanDerWaalsContact C-N 3.34Å; L240-L242 PolarHBondContact O-N 3.44Å; L240-I243 PolarHBondContact O-N 3.45Å; L240-L244 WeakPolarHBondContact O-CG 3.46Å; L240-L244 PolarHBondContact O-N 3.31Å |
| 241 | C | 95 | Very high | 92 | Very high | 66 Ų | 66 | 99.1 Ų | 99.1 | 45% | 0.446 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.4 | -41.6 | 177 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | V237 V238 I243 L244 M245 | V237-C241 PolarHBondContact O-N 3.02Å; V237-C241 PolarHBondContact O-SG 2.79Å; V237-C241 VanDerWaalsContact O-SG 3.32Å; V238-C241 PolarHBondContact O-N 3.04Å; C241-I243 VanDerWaalsContact C-N 3.34Å; C241-L244 PolarHBondContact O-N 2.98Å; C241-M245 WeakPolarHBondContact O-CB 3.35Å; C241-M245 VanDerWaalsContact O-CG 3.27Å; C241-M245 WeakPolarHBondContact O-CG 3.37Å; C241-M245 PolarHBondContact O-N 3.44Å |
| 242 | L | 95.1 | Very high | 92.3 | Very high | 109 Ų | 109 | 100.9 Ų | 100.9 | 57% | 0.571 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64 | -39.4 | 175.8 | -69.7 | 176.4 | 0 | 0 | 0 | 111.9 | V238 S239 L240 M245 F246 | V238-L242 HydrophobicContact CG1-CD1 4.29Å; V238-L242 WeakPolarHBondContact O-CG 3.32Å; V238-L242 PolarHBondContact O-N 3.34Å; S239-L242 PolarHBondContact O-N 3.46Å; L240-L242 VanDerWaalsContact C-N 3.34Å; L240-L242 PolarHBondContact O-N 3.44Å; L242-M245 PolarHBondContact O-N 3.44Å; L242-F246 WeakPolarHBondContact O-CB 3.27Å; L242-F246 PolarHBondContact O-N 2.94Å |
| 243 | I | 95.3 | Very high | 92.7 | Very high | 89 Ų | 89 | 99.7 Ų | 99.7 | 46% | 0.456 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.1 | -44.7 | 175.4 | -69.3 | 163.7 | 0 | 0 | 0 | 110.9 | S239 L240 C241 F246 I247 | S239-I243 WeakPolarHBondContact O-CD1 3.41Å; S239-I243 VanDerWaalsContact O-CG1 3.3Å; S239-I243 WeakPolarHBondContact O-CG1 3.41Å; S239-I243 PolarHBondContact O-N 3.01Å; S239-I243 VanDerWaalsContact O-N 3.08Å; L240-I243 PolarHBondContact O-N 3.45Å; C241-I243 VanDerWaalsContact C-N 3.34Å; I243-F246 PolarHBondContact O-N 3.39Å; I243-I247 HydrophobicContact CG2-CD1 3.87Å; I243-I247 WeakPolarHBondContact O-CG1 3.37Å; I243-I247 PolarHBondContact O-N 3.48Å |
| 244 | L | 94.6 | Very high | 93 | Very high | 101 Ų | 101 | 100.2 Ų | 100.2 | 53% | 0.529 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.3 | -41.1 | 177.2 | -69.9 | 175 | 0 | 0 | 0 | 112.1 | L240 C241 F246 I247 Y248 | L240-L244 WeakPolarHBondContact O-CG 3.46Å; L240-L244 PolarHBondContact O-N 3.31Å; C241-L244 PolarHBondContact O-N 2.98Å; L244-F246 VanDerWaalsContact C-N 3.31Å; L244-F246 PolarHBondContact O-N 2.92Å; L244-I247 PolarHBondContact O-N 3.25Å; L244-Y248 VanDerWaalsContact O-CB 3.31Å; L244-Y248 WeakPolarHBondContact O-CB 3.31Å; L244-Y248 PolarHBondContact O-N 2.84Å |
| 245 | M | 93.9 | Very high | 93.1 | Very high | 132 Ų | 132 | 99.8 Ų | 99.8 | 65% | 0.65 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.8 | -40.9 | 173.9 | -73.5 | -116 | -71.2 | 0 | 0 | 111.5 | C241 L242 Y248 S249 | C241-M245 WeakPolarHBondContact O-CB 3.35Å; C241-M245 VanDerWaalsContact O-CG 3.27Å; C241-M245 WeakPolarHBondContact O-CG 3.37Å; C241-M245 PolarHBondContact O-N 3.44Å; L242-M245 PolarHBondContact O-N 3.44Å; M245-Y248 PolarHBondContact O-N 3.44Å; M245-S249 WeakPolarHBondContact O-CB 3.49Å; M245-S249 PolarHBondContact O-N 2.86Å; M245-S249 PolarHBondContact O-OG 3.36Å |
| 246 | F | 95.1 | Very high | 93.2 | Very high | 140 Ų | 140 | 102.2 Ų | 102.2 | 61% | 0.614 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.2 | -47.5 | 176.7 | -173.6 | -99.1 | 0 | 0 | 0 | 111.6 | L242 I243 L244 Y248 S249 V250 | L242-F246 WeakPolarHBondContact O-CB 3.27Å; L242-F246 PolarHBondContact O-N 2.94Å; I243-F246 PolarHBondContact O-N 3.39Å; L244-F246 VanDerWaalsContact C-N 3.31Å; L244-F246 PolarHBondContact O-N 2.92Å; F246-Y248 VanDerWaalsContact C-N 3.33Å; F246-Y248 PolarHBondContact O-N 2.91Å; F246-S249 PolarHBondContact O-N 3.22Å; F246-S249 PolarHBondContact O-OG 2.95Å; F246-V250 HydrophobicContact CE1-CG2 4.12Å; F246-V250 HydrophobicContact CZ-CG2 4.17Å; F246-V250 WeakPolarHBondContact O-CB 3.43Å; F246-V250 PolarHBondContact O-N 2.96Å |
| 247 | I | 94.7 | Very high | 93.2 | Very high | 89 Ų | 89 | 105 Ų | 105 | 46% | 0.456 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.9 | -43.9 | 176.1 | -68.2 | 167.7 | 0 | 0 | 0 | 111.1 | I243 L244 V250 S251 | I243-I247 HydrophobicContact CG2-CD1 3.87Å; I243-I247 WeakPolarHBondContact O-CG1 3.37Å; I243-I247 PolarHBondContact O-N 3.48Å; L244-I247 PolarHBondContact O-N 3.25Å; I247-V250 PolarHBondContact O-N 3.46Å; I247-S251 PolarHBondContact O-N 3.27Å; I247-S251 PolarHBondContact O-OG 2.92Å |
| 248 | Y | 93.9 | Very high | 93 | Very high | 186 Ų | 186 | 106.6 Ų | 106.6 | 73% | 0.729 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.9 | -38.1 | 177.4 | -179.6 | -102.4 | 0 | 0 | 0 | 112.2 | L244 M245 F246 V250 S251 | L244-Y248 VanDerWaalsContact O-CB 3.31Å; L244-Y248 WeakPolarHBondContact O-CB 3.31Å; L244-Y248 PolarHBondContact O-N 2.84Å; M245-Y248 PolarHBondContact O-N 3.44Å; F246-Y248 VanDerWaalsContact C-N 3.33Å; F246-Y248 PolarHBondContact O-N 2.91Å; Y248-V250 VanDerWaalsContact C-N 3.27Å; Y248-V250 PolarHBondContact O-N 3.32Å; Y248-S251 PolarHBondContact O-N 2.9Å; Y248-S251 VanDerWaalsContact O-OXT 3.06Å |
| 249 | S | 91.7 | Very high | 92.9 | Very high | 87 Ų | 87 | 108.6 Ų | 108.6 | 61% | 0.608 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.9 | -24.7 | 176.8 | 73.4 | 0 | 0 | 0 | 0 | 113.5 | M245 F246 | M245-S249 WeakPolarHBondContact O-CB 3.49Å; M245-S249 PolarHBondContact O-N 2.86Å; M245-S249 PolarHBondContact O-OG 3.36Å; F246-S249 PolarHBondContact O-N 3.22Å; F246-S249 PolarHBondContact O-OG 2.95Å |
| 250 | V | 91.9 | Very high | 92.7 | Very high | 104 Ų | 104 | 112.2 Ų | 112.2 | 63% | 0.63 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -84.5 | -25.5 | 177.4 | 146.9 | 0 | 0 | 0 | 0 | 112.2 | F246 I247 Y248 | F246-V250 HydrophobicContact CE1-CG2 4.12Å; F246-V250 HydrophobicContact CZ-CG2 4.17Å; F246-V250 WeakPolarHBondContact O-CB 3.43Å; F246-V250 PolarHBondContact O-N 2.96Å; I247-V250 PolarHBondContact O-N 3.46Å; Y248-V250 VanDerWaalsContact C-N 3.27Å; Y248-V250 PolarHBondContact O-N 3.32Å |
| 251 | S | 75.9 | Confident | 92.5 | Very high | 138 Ų | 138 | 112.8 Ų | 112.8 | 97% | 0.965 | 61% | 0.605 | S | S | * | * | trans | -86.6 | 0 | 178.4 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | I247 Y248 | I247-S251 PolarHBondContact O-N 3.27Å; I247-S251 PolarHBondContact O-OG 2.92Å; Y248-S251 PolarHBondContact O-N 2.9Å; Y248-S251 VanDerWaalsContact O-OXT 3.06Å |
Retrieved 251 of 251 residues in 243.2 ms
(Link to these results)