| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.2 | Very low | 51.5 | Low | 230 Ų | 230 | 144.8 Ų | 144.8 | 100% | 1.133 | 73% | 0.728 | S | S | * | * | 0 | 109 | 0 | -87.5 | 176.8 | 179.1 | 0 | 0 | 108.1 | |||||
| 2 | M | 39.9 | Very low | 53.3 | Low | 203 Ų | 203 | 143.9 Ų | 143.9 | 100% | 1 | 73% | 0.727 | S | S | * | * | trans | -98.5 | 90.1 | 168.8 | -76.9 | -177.3 | 176.3 | 0 | 0 | 107.3 | ||||
| 3 | Q | 54.6 | Low | 55.8 | Low | 170 Ų | 170 | 136.8 Ų | 136.8 | 79% | 0.794 | 70% | 0.698 | S | S | * | * | trans | -114.6 | 61.2 | 178.2 | -168.2 | -177.5 | -19.8 | 0 | 0 | 108.9 | ||||
| 4 | I | 55.3 | Low | 58.1 | Low | 160 Ų | 160 | 133.6 Ų | 133.6 | 82% | 0.821 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -152.9 | 91.8 | 178.4 | -35.8 | 168 | 0 | 0 | 0 | 107.1 | ||
| 5 | S | 50.7 | Low | 60 | Low | 85 Ų | 85 | 133.7 Ų | 133.7 | 59% | 0.594 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 169.6 | -27.2 | 157.9 | -76 | 0 | 0 | 0 | 0 | 113.3 | S7 H8 L9 | S5-S7 VanDerWaalsContact C-N 3.26Å; S5-S7 PolarHBondContact O-N 3.49Å; S5-H8 PolarHBondContact O-N 3.18Å; S5-L9 PolarHBondContact O-N 3.4Å |
| 6 | E | 48.3 | Very low | 61.9 | Low | 152 Ų | 152 | 128.9 Ų | 128.9 | 71% | 0.71 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -59.1 | -35.4 | -171.6 | -68.1 | -172.8 | 150.4 | 0 | 0 | 113.2 | H8 L9 Q10 | E6-H8 PolarHBondContact O-N 3.29Å; E6-L9 PolarHBondContact O-N 3.3Å; E6-Q10 WeakPolarHBondContact O-CB 3.36Å; E6-Q10 WeakPolarHBondContact O-CG 3.42Å; E6-Q10 PolarHBondContact O-N 3Å |
| 7 | S | 53.9 | Low | 63.6 | Low | 67 Ų | 67 | 124.8 Ų | 124.8 | 47% | 0.469 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70.1 | -28.6 | -178.3 | 62.5 | 0 | 0 | 0 | 0 | 114.4 | S5 K11 | S5-S7 VanDerWaalsContact C-N 3.26Å; S5-S7 PolarHBondContact O-N 3.49Å; S7-K11 WeakPolarHBondContact O-CG 3.35Å |
| 8 | H | 52.2 | Low | 65.2 | Low | 132 Ų | 132 | 119.2 Ų | 119.2 | 61% | 0.611 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -85.8 | -35.1 | 177.2 | -78 | -83.6 | 0 | 0 | 0 | 111.6 | S5 E6 Q10 K11 | S5-H8 PolarHBondContact O-N 3.18Å; E6-H8 PolarHBondContact O-N 3.29Å; H8-Q10 VanDerWaalsContact C-N 3.34Å; H8-K11 PolarHBondContact O-N 3.05Å |
| 9 | L | 54.5 | Low | 66.5 | Low | 137 Ų | 137 | 116.6 Ų | 116.6 | 72% | 0.717 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.7 | -38.2 | 175.8 | -133.9 | 75.2 | 0 | 0 | 0 | 111.7 | S5 E6 K11 N12 S13 | S5-L9 PolarHBondContact O-N 3.4Å; E6-L9 PolarHBondContact O-N 3.3Å; L9-K11 PolarHBondContact O-N 3.11Å; L9-N12 PolarHBondContact O-N 3.18Å; L9-S13 PolarHBondContact O-N 3.5Å |
| 10 | Q | 58.3 | Low | 67.9 | Low | 119 Ų | 119 | 120.6 Ų | 120.6 | 56% | 0.556 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.3 | -43.3 | 176.7 | -77 | 168.9 | -0.9 | 0 | 0 | 111.7 | E6 H8 N12 S13 N16 | E6-Q10 WeakPolarHBondContact O-CB 3.36Å; E6-Q10 WeakPolarHBondContact O-CG 3.42Å; E6-Q10 PolarHBondContact O-N 3Å; H8-Q10 VanDerWaalsContact C-N 3.34Å; Q10-N12 PolarHBondContact O-N 3.4Å; Q10-S13 WeakPolarHBondContact O-CB 3.43Å; Q10-S13 PolarHBondContact O-N 3.32Å; Q10-N16 PolarHBondContact O-ND2 3.44Å |
| 11 | K | 61.9 | Low | 69.2 | Low | 138 Ų | 138 | 117.3 Ų | 117.3 | 60% | 0.6 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63 | -26.1 | -178.1 | -72.1 | 175.8 | -177.4 | 179.9 | 0 | 114.4 | S7 H8 L9 | S7-K11 WeakPolarHBondContact O-CG 3.35Å; H8-K11 PolarHBondContact O-N 3.05Å; L9-K11 PolarHBondContact O-N 3.11Å |
| 12 | N | 73.4 | Confident | 71.9 | Confident | 134 Ų | 134 | 107.5 Ų | 107.5 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 5.6 | 178.3 | -62.2 | -20.2 | 0 | 0 | 0 | 113 | L9 Q10 | L9-N12 PolarHBondContact O-N 3.18Å; Q10-N12 PolarHBondContact O-N 3.4Å |
| 13 | S | 85.4 | Confident | 74.6 | Confident | 51 Ų | 51 | 99.7 Ų | 99.7 | 36% | 0.357 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -60.4 | 141.4 | 175.3 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | L9 Q10 F15 N16 S17 | L9-S13 PolarHBondContact O-N 3.5Å; Q10-S13 WeakPolarHBondContact O-CB 3.43Å; Q10-S13 PolarHBondContact O-N 3.32Å; S13-F15 PolarHBondContact O-N 3.4Å; S13-F15 VanDerWaalsContact O-N 3.14Å; S13-F15 PolarHBondContact OG-N 3.04Å; S13-N16 PolarHBondContact O-N 2.9Å; S13-S17 PolarHBondContact O-N 2.88Å; S13-S17 PolarHBondContact O-OG 3.12Å |
| 14 | L | 88 | Confident | 76.6 | Confident | 93 Ų | 93 | 94.5 Ų | 94.5 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -48.5 | -41.4 | 172.4 | 177.9 | 62.6 | 0 | 0 | 0 | 111.4 | N16 S17 M18 L131 | L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.34Å; L14-S17 PolarHBondContact O-N 3.41Å; L14-M18 HydrophobicContact CD1-CG 4.26Å; L14-M18 HydrophobicContact CD1-SD 4.4Å; L14-M18 HydrophobicContact CG-CG 4.4Å; L14-M18 HydrophobicContact CG-SD 4.06Å; L14-M18 WeakPolarHBondContact O-CB 3.35Å; L14-M18 VanDerWaalsContact O-CG 3.23Å; L14-M18 WeakPolarHBondContact O-CG 3.41Å; L14-M18 PolarHBondContact O-N 3.14Å; L14-L131 HydrophobicContact CD2-CD2 3.6Å |
| 15 | F | 86.7 | Confident | 78.5 | Confident | 135 Ų | 135 | 87.1 Ų | 87.1 | 59% | 0.592 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.9 | -42.1 | 177.5 | -177.8 | -104.6 | 0 | 0 | 0 | 112.6 | S13 M18 N19 | S13-F15 PolarHBondContact O-N 3.4Å; S13-F15 VanDerWaalsContact O-N 3.14Å; S13-F15 PolarHBondContact OG-N 3.04Å; F15-M18 PolarHBondContact O-N 3.19Å; F15-N19 VanDerWaalsContact CD1-ND2 3.32Å; F15-N19 WeakPolarHBondContact CD1-ND2 3.46Å; F15-N19 WeakPolarHBondContact CE1-ND2 3.38Å; F15-N19 VanDerWaalsContact CZ-ND2 3.29Å; F15-N19 WeakPolarHBondContact CZ-ND2 3.47Å; F15-N19 VanDerWaalsContact O-CG 3.26Å; F15-N19 PolarHBondContact O-N 2.81Å; F15-N19 PolarHBondContact O-ND2 2.94Å |
| 16 | N | 89.7 | Confident | 80.6 | Confident | 57 Ų | 57 | 85.7 Ų | 85.7 | 31% | 0.305 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -73.5 | -37.5 | 178.8 | -79.4 | -16.9 | 0 | 0 | 0 | 112.2 | Q10 S13 L14 M18 N19 R20 | Q10-N16 PolarHBondContact O-ND2 3.44Å; S13-N16 PolarHBondContact O-N 2.9Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.34Å; N16-M18 VanDerWaalsContact C-N 3.34Å; N16-N19 PolarHBondContact O-N 3.03Å; N16-R20 WeakPolarHBondContact O-CG 3.41Å; N16-R20 PolarHBondContact O-N 3.31Å |
| 17 | S | 91 | Very high | 82.9 | Confident | 58 Ų | 58 | 83.1 Ų | 83.1 | 41% | 0.406 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 171.8 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | S13 L14 R20 F21 | S13-S17 PolarHBondContact O-N 2.88Å; S13-S17 PolarHBondContact O-OG 3.12Å; L14-S17 PolarHBondContact O-N 3.41Å; S17-R20 PolarHBondContact O-N 3.49Å; S17-F21 PolarHBondContact O-N 3.02Å |
| 18 | M | 91.9 | Very high | 84.9 | Confident | 25 Ų | 25 | 81.9 Ų | 81.9 | 12% | 0.123 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 175.2 | -73.4 | 177.6 | 140 | 0 | 0 | 112.5 | L14 F15 N16 R20 F21 I22 I79 F124 M128 | L14-M18 HydrophobicContact CD1-CG 4.26Å; L14-M18 HydrophobicContact CD1-SD 4.4Å; L14-M18 HydrophobicContact CG-CG 4.4Å; L14-M18 HydrophobicContact CG-SD 4.06Å; L14-M18 WeakPolarHBondContact O-CB 3.35Å; L14-M18 VanDerWaalsContact O-CG 3.23Å; L14-M18 WeakPolarHBondContact O-CG 3.41Å; L14-M18 PolarHBondContact O-N 3.14Å; F15-M18 PolarHBondContact O-N 3.19Å; N16-M18 VanDerWaalsContact C-N 3.34Å; M18-R20 VanDerWaalsContact C-N 3.32Å; M18-R20 PolarHBondContact O-N 2.93Å; M18-F21 WeakPolarHBondContact O-CB 3.16Å; M18-F21 PolarHBondContact O-N 3.5Å; M18-I22 WeakPolarHBondContact O-CG1 3.45Å; M18-I22 PolarHBondContact O-N 3.2Å; M18-I79 HydrophobicContact CB-CG2 4.31Å; M18-I79 HydrophobicContact CE-CD1 4.47Å; M18-I79 HydrophobicContact CE-CG1 4.1Å; M18-I79 HydrophobicContact CE-CG2 4.32Å; M18-I79 HydrophobicContact CG-CD1 4.48Å; M18-I79 HydrophobicContact SD-CG2 4.3Å; M18-F124 HydrophobicContact CE-CE2 4.11Å; M18-F124 HydrophobicContact CE-CZ 3.76Å; M18-M128 HydrophobicContact CE-CE 3.53Å; M18-M128 HydrophobicContact CE-CG 4.37Å; M18-M128 HydrophobicContact CE-SD 3.32Å; M18-M128 WeakPolarHBondContact CE-SD 3.36Å |
| 19 | N | 91.6 | Very high | 86.9 | Confident | 69 Ų | 69 | 78 Ų | 78 | 37% | 0.369 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 178.2 | -72.1 | -35.5 | 0 | 0 | 0 | 112.5 | F15 N16 G23 | F15-N19 VanDerWaalsContact CD1-ND2 3.32Å; F15-N19 WeakPolarHBondContact CD1-ND2 3.46Å; F15-N19 WeakPolarHBondContact CE1-ND2 3.38Å; F15-N19 VanDerWaalsContact CZ-ND2 3.29Å; F15-N19 WeakPolarHBondContact CZ-ND2 3.47Å; F15-N19 VanDerWaalsContact O-CG 3.26Å; F15-N19 PolarHBondContact O-N 2.81Å; F15-N19 PolarHBondContact O-ND2 2.94Å; N16-N19 PolarHBondContact O-N 3.03Å; N19-G23 PolarHBondContact O-N 3.44Å |
| 20 | R | 93.3 | Very high | 88.8 | Confident | 196 Ų | 196 | 78.1 Ų | 78.1 | 74% | 0.74 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.3 | -42.9 | 173.1 | -73.6 | 177.9 | 73.6 | -145.4 | 1 | 111.4 | N16 S17 M18 G23 A24 | N16-R20 WeakPolarHBondContact O-CG 3.41Å; N16-R20 PolarHBondContact O-N 3.31Å; S17-R20 PolarHBondContact O-N 3.49Å; M18-R20 VanDerWaalsContact C-N 3.32Å; M18-R20 PolarHBondContact O-N 2.93Å; R20-G23 PolarHBondContact O-N 3.44Å; R20-A24 PolarHBondContact O-N 3.33Å |
| 21 | F | 94.8 | Very high | 90.6 | Very high | 53 Ų | 53 | 77 Ų | 77 | 23% | 0.232 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.9 | -50.9 | 174.7 | 170.6 | -100.2 | 0 | 0 | 0 | 111.6 | S17 M18 G23 A24 V25 L72 I75 R76 I79 | S17-F21 PolarHBondContact O-N 3.02Å; M18-F21 WeakPolarHBondContact O-CB 3.16Å; M18-F21 PolarHBondContact O-N 3.5Å; F21-G23 VanDerWaalsContact C-N 3.28Å; F21-G23 PolarHBondContact O-N 3.2Å; F21-A24 PolarHBondContact O-N 2.68Å; F21-A24 VanDerWaalsContact O-N 3.11Å; F21-V25 HydrophobicContact CD1-CG2 4.37Å; F21-V25 HydrophobicContact CD2-CG2 4.04Å; F21-V25 HydrophobicContact CE1-CG2 3.95Å; F21-V25 HydrophobicContact CE2-CG2 3.59Å; F21-V25 HydrophobicContact CG-CG2 4.42Å; F21-V25 HydrophobicContact CZ-CG2 3.54Å; F21-V25 WeakPolarHBondContact O-CG2 3.2Å; F21-V25 PolarHBondContact O-N 3.44Å; F21-L72 HydrophobicContact CE2-CD2 3.87Å; F21-L72 HydrophobicContact CZ-CD2 4.35Å; F21-I75 HydrophobicContact CE1-CB 4.28Å; F21-I75 HydrophobicContact CE1-CG2 3.74Å; F21-I75 HydrophobicContact CZ-CB 4.01Å; F21-I75 HydrophobicContact CZ-CG2 3.74Å; F21-R76 HydrophobicContact CE1-CB 4.12Å; F21-I79 HydrophobicContact CD1-CD1 3.5Å; F21-I79 HydrophobicContact CE1-CD1 3.7Å |
| 22 | I | 94.5 | Very high | 92.1 | Very high | 24 Ų | 24 | 72 Ų | 72 | 12% | 0.123 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -55.8 | -45.5 | 176.4 | -67.9 | 161 | 0 | 0 | 0 | 110.6 | M18 A24 V25 N26 R76 I79 E80 | M18-I22 WeakPolarHBondContact O-CG1 3.45Å; M18-I22 PolarHBondContact O-N 3.2Å; I22-A24 VanDerWaalsContact C-N 3.35Å; I22-A24 PolarHBondContact O-N 3.06Å; I22-V25 PolarHBondContact O-N 2.91Å; I22-N26 WeakPolarHBondContact CG2-ND2 3.42Å; I22-N26 VanDerWaalsContact O-CB 3.28Å; I22-N26 WeakPolarHBondContact O-CB 3.43Å; I22-N26 PolarHBondContact O-N 3.25Å; I22-N26 PolarHBondContact O-ND2 3.42Å; I22-R76 HydrophobicContact CG1-CG 4.39Å; I22-I79 HydrophobicContact CD1-CB 4.45Å; I22-I79 HydrophobicContact CD1-CG2 3.66Å; I22-I79 HydrophobicContact CG1-CG2 4.28Å; I22-E80 HydrophobicContact CD1-CG 4.36Å; I22-E80 WeakPolarHBondContact CG2-OE1 3.38Å |
| 23 | G | 95.8 | Very high | 93 | Very high | 39 Ų | 39 | 72.8 Ų | 72.8 | 40% | 0.402 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | N19 R20 F21 N26 N27 | N19-G23 PolarHBondContact O-N 3.44Å; R20-G23 PolarHBondContact O-N 3.44Å; F21-G23 VanDerWaalsContact C-N 3.28Å; F21-G23 PolarHBondContact O-N 3.2Å; G23-N26 PolarHBondContact O-N 3.31Å; G23-N27 WeakPolarHBondContact O-CB 3.02Å; G23-N27 PolarHBondContact O-N 3.38Å |
| 24 | A | 97 | Very high | 93.5 | Very high | 61 Ų | 61 | 74 Ų | 74 | 50% | 0.504 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.1 | -46.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R20 F21 I22 N26 N27 M28 | R20-A24 PolarHBondContact O-N 3.33Å; F21-A24 PolarHBondContact O-N 2.68Å; F21-A24 VanDerWaalsContact O-N 3.11Å; I22-A24 VanDerWaalsContact C-N 3.35Å; I22-A24 PolarHBondContact O-N 3.06Å; A24-N26 VanDerWaalsContact C-N 3.31Å; A24-N26 PolarHBondContact O-N 3.22Å; A24-N27 PolarHBondContact O-N 2.9Å; A24-M28 WeakPolarHBondContact O-CB 3.4Å; A24-M28 PolarHBondContact O-N 3.41Å |
| 25 | V | 95.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.024 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.2 | -35.9 | 177.7 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | F21 I22 M28 D29 L72 K73 R76 | F21-V25 HydrophobicContact CD1-CG2 4.37Å; F21-V25 HydrophobicContact CD2-CG2 4.04Å; F21-V25 HydrophobicContact CE1-CG2 3.95Å; F21-V25 HydrophobicContact CE2-CG2 3.59Å; F21-V25 HydrophobicContact CG-CG2 4.42Å; F21-V25 HydrophobicContact CZ-CG2 3.54Å; F21-V25 WeakPolarHBondContact O-CG2 3.2Å; F21-V25 PolarHBondContact O-N 3.44Å; I22-V25 PolarHBondContact O-N 2.91Å; V25-M28 HydrophobicContact CB-CE 4.46Å; V25-M28 HydrophobicContact CG1-CE 3.71Å; V25-M28 WeakPolarHBondContact O-CB 3.37Å; V25-M28 PolarHBondContact O-N 3.42Å; V25-D29 WeakPolarHBondContact O-CB 3.43Å; V25-D29 PolarHBondContact O-N 3.5Å; V25-L72 HydrophobicContact CG2-CB 4.25Å; V25-K73 HydrophobicContact CG1-CG 4.18Å; V25-R76 HydrophobicContact CB-CB 4.34Å; V25-R76 HydrophobicContact CG1-CB 3.87Å; V25-R76 HydrophobicContact CG1-CG 4.25Å |
| 26 | N | 95 | Very high | 93.8 | Very high | 56 Ų | 56 | 67.8 Ų | 67.8 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 174.1 | -74.3 | -14.9 | 0 | 0 | 0 | 112.3 | I22 G23 A24 M28 D29 Q30 R76 | I22-N26 WeakPolarHBondContact CG2-ND2 3.42Å; I22-N26 VanDerWaalsContact O-CB 3.28Å; I22-N26 WeakPolarHBondContact O-CB 3.43Å; I22-N26 PolarHBondContact O-N 3.25Å; I22-N26 PolarHBondContact O-ND2 3.42Å; G23-N26 PolarHBondContact O-N 3.31Å; A24-N26 VanDerWaalsContact C-N 3.31Å; A24-N26 PolarHBondContact O-N 3.22Å; N26-M28 VanDerWaalsContact C-N 3.33Å; N26-D29 PolarHBondContact O-N 2.9Å; N26-Q30 WeakPolarHBondContact O-CG 3.34Å; N26-Q30 PolarHBondContact O-N 3.46Å; N26-R76 WeakPolarHBondContact OD1-CD 3.29Å; N26-R76 PolarHBondContact OD1-NH1 2.96Å |
| 27 | N | 96.8 | Very high | 93.9 | Very high | 98 Ų | 98 | 71.2 Ų | 71.2 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 173.6 | 177.2 | -110.2 | 0 | 0 | 0 | 111.7 | G23 A24 Q30 T31 | G23-N27 WeakPolarHBondContact O-CB 3.02Å; G23-N27 PolarHBondContact O-N 3.38Å; A24-N27 PolarHBondContact O-N 2.9Å; N27-Q30 PolarHBondContact O-N 3.28Å; N27-T31 WeakPolarHBondContact O-CB 3.32Å; N27-T31 PolarHBondContact O-N 3.39Å; N27-T31 PolarHBondContact O-OG1 2.91Å |
| 28 | M | 95.9 | Very high | 93.9 | Very high | 40 Ų | 40 | 70.4 Ų | 70.4 | 20% | 0.197 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.3 | -50.3 | 172.6 | 177 | -168 | 73.7 | 0 | 0 | 111.3 | A24 V25 N26 Q30 T31 V32 Y69 L72 K73 | A24-M28 WeakPolarHBondContact O-CB 3.4Å; A24-M28 PolarHBondContact O-N 3.41Å; V25-M28 HydrophobicContact CB-CE 4.46Å; V25-M28 HydrophobicContact CG1-CE 3.71Å; V25-M28 WeakPolarHBondContact O-CB 3.37Å; V25-M28 PolarHBondContact O-N 3.42Å; N26-M28 VanDerWaalsContact C-N 3.33Å; M28-Q30 VanDerWaalsContact C-N 3.28Å; M28-Q30 PolarHBondContact O-N 3.01Å; M28-T31 PolarHBondContact O-N 2.99Å; M28-V32 HydrophobicContact CG-CG2 4.13Å; M28-V32 WeakPolarHBondContact O-CG2 3.23Å; M28-V32 PolarHBondContact O-N 2.99Å; M28-Y69 HydrophobicContact CE-CD2 3.46Å; M28-Y69 VanDerWaalsContact CE-CD2 3.46Å; M28-Y69 HydrophobicContact CE-CE2 3.75Å; M28-Y69 HydrophobicContact CE-CG 4.42Å; M28-Y69 HydrophobicContact CG-CD2 4.12Å; M28-Y69 HydrophobicContact CG-CE2 4.36Å; M28-Y69 HydrophobicContact SD-CD2 3.76Å; M28-Y69 HydrophobicContact SD-CE2 4.41Å; M28-L72 HydrophobicContact CE-CB 4.17Å; M28-L72 HydrophobicContact CE-CD1 4.38Å; M28-L72 HydrophobicContact SD-CD1 3.84Å; M28-K73 HydrophobicContact CE-CG 4.02Å |
| 29 | D | 93.4 | Very high | 93.7 | Very high | 50 Ų | 50 | 75.9 Ų | 75.9 | 27% | 0.267 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.1 | -32.9 | -179.7 | -158.3 | 29.7 | 0 | 0 | 0 | 112.5 | V25 N26 Y69 K73 R76 | V25-D29 WeakPolarHBondContact O-CB 3.43Å; V25-D29 PolarHBondContact O-N 3.5Å; N26-D29 PolarHBondContact O-N 2.9Å; D29-Y69 PolarHBondContact OD1-OH 3.05Å; D29-Y69 VanDerWaalsContact OD1-OH 3.06Å; D29-K73 IonicContact OD1-NZ 2.71Å; D29-K73 PolarHBondContact OD1-NZ 3.22Å; D29-K73 IonicContact OD2-NZ 3.73Å; D29-R76 IonicContact OD2-CZ 3.52Å; D29-R76 IonicContact OD2-NH1 3Å; D29-R76 PolarHBondContact OD2-NH1 3.37Å; D29-R76 IonicContact OD2-NH2 3.03Å; D29-R76 PolarHBondContact OD2-NH2 3.11Å |
| 30 | Q | 94.3 | Very high | 93.4 | Very high | 141 Ų | 141 | 79.6 Ų | 79.6 | 66% | 0.659 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -73.7 | -28.2 | 173.1 | -73.7 | 177.4 | -16.1 | 0 | 0 | 113.3 | N26 N27 M28 M33 | N26-Q30 WeakPolarHBondContact O-CG 3.34Å; N26-Q30 PolarHBondContact O-N 3.46Å; N27-Q30 PolarHBondContact O-N 3.28Å; M28-Q30 VanDerWaalsContact C-N 3.28Å; M28-Q30 PolarHBondContact O-N 3.01Å; Q30-M33 WeakPolarHBondContact O-CE 3.47Å |
| 31 | T | 95.8 | Very high | 93 | Very high | 94 Ų | 94 | 72.9 Ų | 72.9 | 58% | 0.577 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -88.5 | -38.9 | -176 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | N27 M28 M33 | N27-T31 WeakPolarHBondContact O-CB 3.32Å; N27-T31 PolarHBondContact O-N 3.39Å; N27-T31 PolarHBondContact O-OG1 2.91Å; M28-T31 PolarHBondContact O-N 2.99Å; T31-M33 VanDerWaalsContact C-N 3.33Å; T31-M33 PolarHBondContact O-N 3.38Å |
| 32 | V | 94.6 | Very high | 92.3 | Very high | 34 Ų | 34 | 73.3 Ų | 73.3 | 21% | 0.206 | 41% | 0.409 | C | S | . | . | trans | -79.7 | 81.3 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | M28 V34 P35 L38 Y69 | M28-V32 HydrophobicContact CG-CG2 4.13Å; M28-V32 WeakPolarHBondContact O-CG2 3.23Å; M28-V32 PolarHBondContact O-N 2.99Å; V32-V34 VanDerWaalsContact C-N 3.33Å; V32-V34 PolarHBondContact O-N 3.47Å; V32-P35 HydrophobicContact CG1-CB 4.2Å; V32-P35 HydrophobicContact CG1-CG 4.06Å; V32-L38 HydrophobicContact CG1-CD1 3.73Å; V32-L38 HydrophobicContact CG1-CG 4.39Å; V32-L38 HydrophobicContact CG2-CD1 4.34Å; V32-Y69 HydrophobicContact CB-CE2 4.09Å; V32-Y69 HydrophobicContact CG1-CE2 4.17Å; V32-Y69 HydrophobicContact CG2-CD2 4.44Å; V32-Y69 HydrophobicContact CG2-CE2 4.35Å | ||
| 33 | M | 92.8 | Very high | 91.2 | Very high | 151 Ų | 151 | 74.6 Ų | 74.6 | 74% | 0.744 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -71.9 | -26.8 | -178.4 | -61.9 | -93.9 | 78.2 | 0 | 0 | 113.2 | Q30 T31 | Q30-M33 WeakPolarHBondContact O-CE 3.47Å; T31-M33 VanDerWaalsContact C-N 3.33Å; T31-M33 PolarHBondContact O-N 3.38Å |
| 34 | V | 94.2 | Very high | 89.3 | Confident | 75 Ų | 75 | 81 Ų | 81 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | trans | -132.9 | 83.2 | -178.6 | -171 | 0 | 0 | 0 | 0 | 109.1 | V32 S36 L37 | V32-V34 VanDerWaalsContact C-N 3.33Å; V32-V34 PolarHBondContact O-N 3.47Å; V34-S36 WeakPolarHBondContact CG1-OG 3.39Å; V34-S36 PolarHBondContact O-N 2.87Å; V34-S36 VanDerWaalsContact O-N 3.12Å; V34-L37 HydrophobicContact CB-CD1 3.95Å; V34-L37 HydrophobicContact CB-CG 4.08Å; V34-L37 HydrophobicContact CG1-CD1 4.17Å; V34-L37 HydrophobicContact CG1-CG 3.84Å; V34-L37 WeakPolarHBondContact O-CB 3.29Å; V34-L37 PolarHBondContact O-N 3.36Å; V34-L37 VanDerWaalsContact O-N 3.1Å | ||
| 35 | P | 90.5 | Very high | 87.3 | Confident | 38 Ų | 38 | 84.1 Ų | 84.1 | 25% | 0.247 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -59.2 | -26.3 | -175.3 | -26.5 | 35.1 | 0 | 0 | 0 | 114.4 | V32 L37 L38 Y66 Y69 | V32-P35 HydrophobicContact CG1-CB 4.2Å; V32-P35 HydrophobicContact CG1-CG 4.06Å; P35-L37 PolarHBondContact O-N 2.71Å; P35-L38 WeakPolarHBondContact O-CB 3.4Å; P35-L38 PolarHBondContact O-N 3.49Å; P35-Y66 HydrophobicContact CB-CD2 4.08Å; P35-Y66 HydrophobicContact CB-CE2 3.73Å; P35-Y66 VanDerWaalsContact O-CD2 3.22Å; P35-Y66 WeakPolarHBondContact O-CD2 3.5Å; P35-Y69 HydrophobicContact CB-CD1 4.4Å; P35-Y69 HydrophobicContact CB-CE1 3.81Å; P35-Y69 HydrophobicContact CG-CE1 4.05Å |
| 36 | S | 91 | Very high | 85.2 | Confident | 60 Ų | 60 | 91.3 Ų | 91.3 | 42% | 0.42 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -64.2 | -18.8 | 178.3 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | V34 L38 R39 | V34-S36 WeakPolarHBondContact CG1-OG 3.39Å; V34-S36 PolarHBondContact O-N 2.87Å; V34-S36 VanDerWaalsContact O-N 3.12Å; S36-L38 PolarHBondContact O-N 3.33Å; S36-R39 WeakPolarHBondContact O-CB 3.4Å; S36-R39 PolarHBondContact O-N 3.14Å |
| 37 | L | 92.1 | Very high | 83 | Confident | 130 Ų | 130 | 100.1 Ų | 100.1 | 68% | 0.681 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -72.9 | -11.9 | 174.4 | -64.4 | 179.3 | 0 | 0 | 0 | 113 | V34 P35 R39 V41 | V34-L37 HydrophobicContact CB-CD1 3.95Å; V34-L37 HydrophobicContact CB-CG 4.08Å; V34-L37 HydrophobicContact CG1-CD1 4.17Å; V34-L37 HydrophobicContact CG1-CG 3.84Å; V34-L37 WeakPolarHBondContact O-CB 3.29Å; V34-L37 PolarHBondContact O-N 3.36Å; V34-L37 VanDerWaalsContact O-N 3.1Å; P35-L37 PolarHBondContact O-N 2.71Å; L37-R39 VanDerWaalsContact C-N 3.33Å; L37-V41 VanDerWaalsContact O-CG2 3.29Å; L37-V41 WeakPolarHBondContact O-CG2 3.42Å |
| 38 | L | 90.6 | Very high | 80.7 | Confident | 41 Ų | 41 | 103 Ų | 103 | 22% | 0.215 | 51% | 0.512 | C | S | . | . | G | 310 helix | trans | -88 | -6.1 | 175.5 | -58.5 | 179.7 | 0 | 0 | 0 | 112.3 | V32 P35 S36 M65 Y66 Y69 | V32-L38 HydrophobicContact CG1-CD1 3.73Å; V32-L38 HydrophobicContact CG1-CG 4.39Å; V32-L38 HydrophobicContact CG2-CD1 4.34Å; P35-L38 WeakPolarHBondContact O-CB 3.4Å; P35-L38 PolarHBondContact O-N 3.49Å; S36-L38 PolarHBondContact O-N 3.33Å; L38-M65 HydrophobicContact CB-CB 3.85Å; L38-M65 HydrophobicContact CD2-CB 4.14Å; L38-M65 HydrophobicContact CG-CB 4.45Å; L38-Y66 PolarHBondContact O-N 2.88Å; L38-Y69 HydrophobicContact CD1-CD2 4.44Å; L38-Y69 HydrophobicContact CD1-CG 4.22Å |
| 39 | R | 89.3 | Confident | 78.5 | Confident | 139 Ų | 139 | 104.2 Ų | 104.2 | 53% | 0.525 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 139.8 | 177.1 | -76.1 | -164.8 | -103.7 | 167 | -5.4 | 110.3 | S36 L37 V41 D64 Y66 | S36-R39 WeakPolarHBondContact O-CB 3.4Å; S36-R39 PolarHBondContact O-N 3.14Å; L37-R39 VanDerWaalsContact C-N 3.33Å; R39-V41 PolarHBondContact O-N 3.3Å; R39-V41 VanDerWaalsContact O-N 3.11Å; R39-D64 VanDerWaalsContact CA-OD2 3.26Å; R39-D64 WeakPolarHBondContact CA-OD2 3.32Å; R39-Y66 HydrophobicContact CG-CD1 3.49Å; R39-Y66 VanDerWaalsContact CG-CD1 3.49Å; R39-Y66 HydrophobicContact CG-CD2 4.44Å; R39-Y66 HydrophobicContact CG-CE1 4.21Å; R39-Y66 HydrophobicContact CG-CG 3.66Å |
| 40 | D | 84.6 | Confident | 76.3 | Confident | 148 Ų | 148 | 104.1 Ų | 104.1 | 79% | 0.791 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 19.8 | 179.9 | -44 | -59.2 | 0 | 0 | 0 | 113.4 | D64 | D40-D64 PolarHBondContact N-OD2 3.42Š|
| 41 | V | 84.8 | Confident | 74 | Confident | 55 Ų | 55 | 101.6 Ų | 101.6 | 33% | 0.333 | 53% | 0.527 | S | S | . | . | trans | -95.2 | 116.9 | 174.2 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | L37 R39 D64 M65 | L37-V41 VanDerWaalsContact O-CG2 3.29Å; L37-V41 WeakPolarHBondContact O-CG2 3.42Å; R39-V41 PolarHBondContact O-N 3.3Å; R39-V41 VanDerWaalsContact O-N 3.11Å; V41-D64 WeakPolarHBondContact O-CA 3.33Å; V41-M65 HydrophobicContact CB-CB 4.12Å; V41-M65 HydrophobicContact CB-CG 4.03Å; V41-M65 HydrophobicContact CG1-CB 4.38Å; V41-M65 HydrophobicContact CG1-CG 3.77Å; V41-M65 PolarHBondContact O-N 3.02Å | ||
| 42 | P | 80.1 | Confident | 71.7 | Confident | 62 Ų | 62 | 104.5 Ų | 104.5 | 40% | 0.403 | 54% | 0.539 | S | S | . | . | trans | -67.4 | 148.5 | 179.9 | 27.4 | -33.8 | 0 | 0 | 0 | 111.1 | E44 | P42-E44 PolarHBondContact O-N 3.44Š| ||
| 43 | L | 70.2 | Confident | 69.6 | Low | 50 Ų | 50 | 107.5 Ų | 107.5 | 26% | 0.262 | 55% | 0.549 | S | S | . | . | trans | -74.9 | 75 | 173.6 | -72.4 | 166.5 | 0 | 0 | 0 | 110.1 | E45 G63 M65 | L43-E45 PolarHBondContact O-N 2.81Å; L43-G63 VanDerWaalsContact CD1-O 3.26Å; L43-G63 WeakPolarHBondContact CD1-O 3.41Å; L43-G63 WeakPolarHBondContact CG-O 3.37Å; L43-M65 HydrophobicContact CD2-CE 3.72Å; L43-M65 HydrophobicContact CD2-CG 4.07Å; L43-M65 HydrophobicContact CD2-SD 3.39Å; L43-M65 WeakPolarHBondContact CD2-SD 3.41Å; L43-M65 HydrophobicContact CG-SD 4.49Å | ||
| 44 | E | 57.1 | Low | 67.2 | Low | 174 Ų | 174 | 105.7 Ų | 105.7 | 81% | 0.813 | 55% | 0.551 | S | S | * | * | trans | -70 | 4.7 | -171.1 | -165 | 147.5 | -163.3 | 0 | 0 | 115.2 | P42 E46 | P42-E44 PolarHBondContact O-N 3.44Å; E44-E46 VanDerWaalsContact C-N 3.31Å; E44-E46 PolarHBondContact O-N 2.97Å | ||
| 45 | E | 55.6 | Low | 64.8 | Low | 127 Ų | 127 | 107.8 Ų | 107.8 | 59% | 0.593 | 57% | 0.569 | S | S | * | * | trans | -92 | 55.3 | 175.2 | -111.9 | 176.3 | -165.1 | 0 | 0 | 112.8 | L43 R47 | L43-E45 PolarHBondContact O-N 2.81Å; E45-R47 PolarHBondContact O-N 3.26Å | ||
| 46 | E | 51.5 | Low | 62.2 | Low | 155 Ų | 155 | 109 Ų | 109 | 72% | 0.724 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.6 | -19.5 | 177.1 | -165.8 | 175.1 | -176.1 | 0 | 0 | 112.7 | E44 A50 | E44-E46 VanDerWaalsContact C-N 3.31Å; E44-E46 PolarHBondContact O-N 2.97Å; E46-A50 WeakPolarHBondContact O-CB 3.47Å |
| 47 | R | 47.7 | Very low | 60.1 | Low | 240 Ų | 240 | 114.1 Ų | 114.1 | 91% | 0.906 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -93 | -25.7 | -166.6 | -145.6 | 177.8 | -93.5 | -95.1 | 2.3 | 115.8 | E45 | E45-R47 PolarHBondContact O-N 3.26Å |
| 48 | E | 48.6 | Very low | 57.7 | Low | 159 Ų | 159 | 111.3 Ų | 111.3 | 74% | 0.743 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -100.7 | -31.3 | 179.4 | -140.9 | 176.3 | -169.1 | 0 | 0 | 112.3 | ||
| 49 | M | 50.3 | Low | 55.3 | Low | 66 Ų | 66 | 117 Ų | 117 | 33% | 0.325 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -79.3 | -15.2 | 173.9 | -70.2 | -157.4 | -78.6 | 0 | 0 | 114.2 | A51 L52 | M49-A51 PolarHBondContact O-N 3.49Å; M49-L52 PolarHBondContact O-N 2.96Å |
| 50 | A | 46.8 | Very low | 53.4 | Low | 47 Ų | 47 | 115 Ų | 115 | 39% | 0.388 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -63.1 | -24.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | E46 L52 K53 | E46-A50 WeakPolarHBondContact O-CB 3.47Å; A50-L52 PolarHBondContact O-N 3.44Å; A50-K53 PolarHBondContact O-N 3.11Å; A50-K53 VanDerWaalsContact O-N 3.11Å |
| 51 | A | 45.1 | Very low | 51.9 | Low | 88 Ų | 88 | 116.4 Ų | 116.4 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -66.2 | -24.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M49 | M49-A51 PolarHBondContact O-N 3.49Š|
| 52 | L | 48.8 | Very low | 50.5 | Low | 156 Ų | 156 | 119.4 Ų | 119.4 | 82% | 0.817 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -87 | -15.6 | 175.4 | -69.5 | 161.4 | 0 | 0 | 0 | 112.7 | M49 A50 | M49-L52 PolarHBondContact O-N 2.96Å; A50-L52 PolarHBondContact O-N 3.44Å |
| 53 | K | 50.9 | Low | 49.7 | Very low | 97 Ų | 97 | 117.3 Ų | 117.3 | 42% | 0.422 | 64% | 0.637 | S | S | . | * | trans | -88.3 | -1.3 | -174.6 | -64.2 | 177.7 | 179.3 | -170.2 | 0 | 114.2 | A50 S55 I60 | A50-K53 PolarHBondContact O-N 3.11Å; A50-K53 VanDerWaalsContact O-N 3.11Å; K53-S55 PolarHBondContact O-N 2.96Å; K53-S55 VanDerWaalsContact O-N 3.1Å; K53-I60 HydrophobicContact CD-CD1 3.54Å; K53-I60 HydrophobicContact CG-CD1 4.17Å | ||
| 54 | S | 41.2 | Very low | 50.4 | Low | 112 Ų | 112 | 116.1 Ų | 116.1 | 78% | 0.783 | 63% | 0.631 | S | S | * | * | trans | -71.8 | -0.1 | -174.8 | -178.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 55 | S | 44.5 | Very low | 51.8 | Low | 120 Ų | 120 | 110.9 Ų | 110.9 | 84% | 0.839 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -123.7 | 65 | -176.1 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | K53 | K53-S55 PolarHBondContact O-N 2.96Å; K53-S55 VanDerWaalsContact O-N 3.1Å |
| 56 | G | 36.2 | Very low | 53.5 | Low | 62 Ų | 62 | 108 Ų | 108 | 64% | 0.639 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 116.7 | 117 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 57 | N | 47 | Very low | 55.2 | Low | 168 Ų | 168 | 102.4 Ų | 102.4 | 90% | 0.898 | 57% | 0.57 | S | S | * | * | trans | 9.7 | 120.5 | 159.4 | -77.9 | 20 | 0 | 0 | 0 | 117.6 | ||||
| 58 | S | 40.8 | Very low | 57.2 | Low | 71 Ų | 71 | 95.2 Ų | 95.2 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | -173.2 | 141.5 | 120.6 | 46.9 | 0 | 0 | 0 | 0 | 111.4 | I60 | S58-I60 VanDerWaalsContact C-N 3.26Å; S58-I60 PolarHBondContact O-N 2.94Å | |||
| 59 | D | 41 | Very low | 59.2 | Low | 160 Ų | 160 | 88.3 Ų | 88.3 | 86% | 0.856 | 51% | 0.51 | S | S | * | . | trans | -56.2 | 89.6 | 155.8 | -66.7 | -65.9 | 0 | 0 | 0 | 108.4 | E61 | D59-E61 PolarHBondContact O-N 3.32Š| ||
| 60 | I | 48.4 | Very low | 61.1 | Low | 97 Ų | 97 | 88.8 Ų | 88.8 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | trans | -79.2 | 78.9 | 177 | -62.7 | 163.1 | 0 | 0 | 0 | 106.9 | K53 S58 D62 | K53-I60 HydrophobicContact CD-CD1 3.54Å; K53-I60 HydrophobicContact CG-CD1 4.17Å; S58-I60 VanDerWaalsContact C-N 3.26Å; S58-I60 PolarHBondContact O-N 2.94Å; I60-D62 PolarHBondContact O-N 3.35Å | ||
| 61 | E | 52.5 | Low | 63.2 | Low | 179 Ų | 179 | 87.2 Ų | 87.2 | 84% | 0.836 | 50% | 0.497 | S | S | * | . | trans | -74.6 | 102.4 | 160 | -86.4 | -174.8 | 154.9 | 0 | 0 | 108.7 | D59 G63 | D59-E61 PolarHBondContact O-N 3.32Å; E61-G63 PolarHBondContact O-N 3.19Å | ||
| 62 | D | 55.6 | Low | 65.5 | Low | 118 Ų | 118 | 84.4 Ų | 84.4 | 63% | 0.631 | 47% | 0.469 | S | S | * | . | trans | 56.5 | 58.1 | 130.2 | -117.7 | 10.6 | 0 | 0 | 0 | 118.1 | I60 D64 | I60-D62 PolarHBondContact O-N 3.35Å; D62-D64 PolarHBondContact O-N 2.98Å | ||
| 63 | G | 64.4 | Low | 67.6 | Low | 18 Ų | 18 | 79.6 Ų | 79.6 | 19% | 0.186 | 44% | 0.442 | C | S | . | . | trans | -66 | 123.8 | 147.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L43 E61 E117 | L43-G63 VanDerWaalsContact CD1-O 3.26Å; L43-G63 WeakPolarHBondContact CD1-O 3.41Å; L43-G63 WeakPolarHBondContact CG-O 3.37Å; E61-G63 PolarHBondContact O-N 3.19Å; G63-E117 VanDerWaalsContact CA-OE1 3.27Å; G63-E117 WeakPolarHBondContact CA-OE1 3.34Å | ||
| 64 | D | 83.8 | Confident | 69.5 | Low | 25 Ų | 25 | 76.9 Ų | 76.9 | 13% | 0.134 | 44% | 0.435 | C | S | . | . | trans | -68.5 | 158.9 | 176.5 | 71.4 | 3.4 | 0 | 0 | 0 | 111.3 | R39 D40 V41 D62 Y66 S67 Y68 | R39-D64 VanDerWaalsContact CA-OD2 3.26Å; R39-D64 WeakPolarHBondContact CA-OD2 3.32Å; D40-D64 PolarHBondContact N-OD2 3.42Å; V41-D64 WeakPolarHBondContact O-CA 3.33Å; D62-D64 PolarHBondContact O-N 2.98Å; D64-Y66 PolarHBondContact O-N 3.38Å; D64-Y66 WeakPolarHBondContact OD1-CB 3.28Å; D64-Y66 PolarHBondContact OD1-N 3.45Å; D64-S67 PolarHBondContact O-N 2.94Å; D64-S67 VanDerWaalsContact OD1-CB 3.28Å; D64-S67 WeakPolarHBondContact OD1-CB 3.21Å; D64-S67 PolarHBondContact OD1-N 3.21Å; D64-S67 PolarHBondContact OD1-OG 3.42Å; D64-Y68 PolarHBondContact O-N 3.19Å | ||
| 65 | M | 87.6 | Confident | 71.9 | Confident | 64 Ų | 64 | 72.1 Ų | 72.1 | 32% | 0.315 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -54 | -29.4 | 177.5 | -78.5 | -79.7 | -172.5 | 0 | 0 | 112.8 | L38 V41 L43 Y69 | L38-M65 HydrophobicContact CB-CB 3.85Å; L38-M65 HydrophobicContact CD2-CB 4.14Å; L38-M65 HydrophobicContact CG-CB 4.45Å; V41-M65 HydrophobicContact CB-CB 4.12Å; V41-M65 HydrophobicContact CB-CG 4.03Å; V41-M65 HydrophobicContact CG1-CB 4.38Å; V41-M65 HydrophobicContact CG1-CG 3.77Å; V41-M65 PolarHBondContact O-N 3.02Å; L43-M65 HydrophobicContact CD2-CE 3.72Å; L43-M65 HydrophobicContact CD2-CG 4.07Å; L43-M65 HydrophobicContact CD2-SD 3.39Å; L43-M65 WeakPolarHBondContact CD2-SD 3.41Å; L43-M65 HydrophobicContact CG-SD 4.49Å; M65-Y69 WeakPolarHBondContact O-CB 3.35Å; M65-Y69 PolarHBondContact O-N 2.91Å |
| 66 | Y | 90.2 | Very high | 74.2 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 26% | 0.255 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.8 | -49 | 177.2 | -176 | -119.4 | 0 | 0 | 0 | 110.8 | P35 L38 R39 D64 Y68 Y69 Q70 | P35-Y66 HydrophobicContact CB-CD2 4.08Å; P35-Y66 HydrophobicContact CB-CE2 3.73Å; P35-Y66 VanDerWaalsContact O-CD2 3.22Å; P35-Y66 WeakPolarHBondContact O-CD2 3.5Å; L38-Y66 PolarHBondContact O-N 2.88Å; R39-Y66 HydrophobicContact CG-CD1 3.49Å; R39-Y66 VanDerWaalsContact CG-CD1 3.49Å; R39-Y66 HydrophobicContact CG-CD2 4.44Å; R39-Y66 HydrophobicContact CG-CE1 4.21Å; R39-Y66 HydrophobicContact CG-CG 3.66Å; D64-Y66 PolarHBondContact O-N 3.38Å; D64-Y66 WeakPolarHBondContact OD1-CB 3.28Å; D64-Y66 PolarHBondContact OD1-N 3.45Å; Y66-Y68 VanDerWaalsContact C-N 3.34Å; Y66-Y68 PolarHBondContact O-N 3.37Å; Y66-Y69 HydrophobicContact CD2-CD1 4.24Å; Y66-Y69 HydrophobicContact CE2-CD1 4.33Å; Y66-Y69 CarbonylContact O-C 3.6Å; Y66-Y69 WeakPolarHBondContact O-CA 3.48Å; Y66-Y69 VanDerWaalsContact O-CB 3.29Å; Y66-Y69 WeakPolarHBondContact O-CB 3.06Å; Y66-Y69 PolarHBondContact O-N 3.25Å; Y66-Y69 VanDerWaalsContact O-N 3.07Å; Y66-Q70 VanDerWaalsContact CD2-NE2 3.28Å; Y66-Q70 VanDerWaalsContact CE2-NE2 3.26Å; Y66-Q70 PolarHBondContact O-N 3.49Å; Y66-Q70 PolarHBondContact O-NE2 3.5Å; Y66-Q70 PolarHBondContact OH-OE1 3.41Å |
| 67 | S | 88.1 | Confident | 76.7 | Confident | 38 Ų | 38 | 67 Ų | 67 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | -179 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | D64 Y69 Q70 L71 E117 | D64-S67 PolarHBondContact O-N 2.94Å; D64-S67 VanDerWaalsContact OD1-CB 3.28Å; D64-S67 WeakPolarHBondContact OD1-CB 3.21Å; D64-S67 PolarHBondContact OD1-N 3.21Å; D64-S67 PolarHBondContact OD1-OG 3.42Å; S67-Y69 PolarHBondContact O-N 2.97Å; S67-Q70 WeakPolarHBondContact O-CB 3.41Å; S67-Q70 PolarHBondContact O-N 3.44Å; S67-Q70 VanDerWaalsContact O-N 3.12Å; S67-L71 PolarHBondContact O-N 3.01Å; S67-E117 VanDerWaalsContact CB-OE2 3.23Å; S67-E117 WeakPolarHBondContact CB-OE2 3.33Å |
| 68 | Y | 88.8 | Confident | 78.7 | Confident | 89 Ų | 89 | 59.8 Ų | 59.8 | 35% | 0.349 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 172.3 | -169.3 | -110.7 | 0 | 0 | 0 | 113.4 | D64 Y66 Q70 L71 L72 | D64-Y68 PolarHBondContact O-N 3.19Å; Y66-Y68 VanDerWaalsContact C-N 3.34Å; Y66-Y68 PolarHBondContact O-N 3.37Å; Y68-Q70 VanDerWaalsContact C-N 3.28Å; Y68-Q70 PolarHBondContact O-N 2.91Å; Y68-L71 HydrophobicContact CD2-CD2 4.22Å; Y68-L71 HydrophobicContact CE2-CD2 4.4Å; Y68-L71 WeakPolarHBondContact O-CB 3.47Å; Y68-L71 PolarHBondContact O-N 3.36Å; Y68-L72 HydrophobicContact CD1-CD1 3.86Å; Y68-L72 HydrophobicContact CD1-CG 4.3Å; Y68-L72 HydrophobicContact CE1-CD1 3.49Å; Y68-L72 VanDerWaalsContact CE1-CD1 3.49Å; Y68-L72 HydrophobicContact CE1-CD2 4.32Å; Y68-L72 HydrophobicContact CE1-CG 3.98Å; Y68-L72 WeakPolarHBondContact O-CG 3.37Å; Y68-L72 PolarHBondContact O-N 2.75Å |
| 69 | Y | 91.7 | Very high | 81.1 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 6% | 0.059 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -39.5 | 173.3 | 163.4 | -93.9 | 0 | 0 | 0 | 112 | M28 D29 V32 P35 L38 M65 Y66 S67 K73 | M28-Y69 HydrophobicContact CE-CD2 3.46Å; M28-Y69 VanDerWaalsContact CE-CD2 3.46Å; M28-Y69 HydrophobicContact CE-CE2 3.75Å; M28-Y69 HydrophobicContact CE-CG 4.42Å; M28-Y69 HydrophobicContact CG-CD2 4.12Å; M28-Y69 HydrophobicContact CG-CE2 4.36Å; M28-Y69 HydrophobicContact SD-CD2 3.76Å; M28-Y69 HydrophobicContact SD-CE2 4.41Å; D29-Y69 PolarHBondContact OD1-OH 3.05Å; D29-Y69 VanDerWaalsContact OD1-OH 3.06Å; V32-Y69 HydrophobicContact CB-CE2 4.09Å; V32-Y69 HydrophobicContact CG1-CE2 4.17Å; V32-Y69 HydrophobicContact CG2-CD2 4.44Å; V32-Y69 HydrophobicContact CG2-CE2 4.35Å; P35-Y69 HydrophobicContact CB-CD1 4.4Å; P35-Y69 HydrophobicContact CB-CE1 3.81Å; P35-Y69 HydrophobicContact CG-CE1 4.05Å; L38-Y69 HydrophobicContact CD1-CD2 4.44Å; L38-Y69 HydrophobicContact CD1-CG 4.22Å; M65-Y69 WeakPolarHBondContact O-CB 3.35Å; M65-Y69 PolarHBondContact O-N 2.91Å; Y66-Y69 HydrophobicContact CD2-CD1 4.24Å; Y66-Y69 HydrophobicContact CE2-CD1 4.33Å; Y66-Y69 CarbonylContact O-C 3.6Å; Y66-Y69 WeakPolarHBondContact O-CA 3.48Å; Y66-Y69 VanDerWaalsContact O-CB 3.29Å; Y66-Y69 WeakPolarHBondContact O-CB 3.06Å; Y66-Y69 PolarHBondContact O-N 3.25Å; Y66-Y69 VanDerWaalsContact O-N 3.07Å; S67-Y69 PolarHBondContact O-N 2.97Å; Y69-K73 HydrophobicContact CD1-CD 4.24Å; Y69-K73 HydrophobicContact CD2-CD 4.33Å; Y69-K73 HydrophobicContact CE1-CD 3.59Å; Y69-K73 HydrophobicContact CE2-CD 3.68Å; Y69-K73 HydrophobicContact CE2-CG 4.41Å; Y69-K73 WeakPolarHBondContact O-CG 3.3Å; Y69-K73 PolarHBondContact O-N 2.74Å; Y69-K73 VanDerWaalsContact O-N 3.17Å; Y69-K73 WeakPolarHBondContact OH-CD 3.42Å; Y69-K73 PolarHBondContact OH-NZ 2.98Å |
| 70 | Q | 90.6 | Very high | 83.2 | Confident | 75 Ų | 75 | 54.4 Ų | 54.4 | 35% | 0.35 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.5 | -44.4 | 174.6 | -89.1 | 137.8 | 111.4 | 0 | 0 | 112.4 | Y66 S67 Y68 L72 K73 S74 | Y66-Q70 VanDerWaalsContact CD2-NE2 3.28Å; Y66-Q70 VanDerWaalsContact CE2-NE2 3.26Å; Y66-Q70 PolarHBondContact O-N 3.49Å; Y66-Q70 PolarHBondContact O-NE2 3.5Å; Y66-Q70 PolarHBondContact OH-OE1 3.41Å; S67-Q70 WeakPolarHBondContact O-CB 3.41Å; S67-Q70 PolarHBondContact O-N 3.44Å; S67-Q70 VanDerWaalsContact O-N 3.12Å; Y68-Q70 VanDerWaalsContact C-N 3.28Å; Y68-Q70 PolarHBondContact O-N 2.91Å; Q70-L72 VanDerWaalsContact C-N 3.35Å; Q70-L72 PolarHBondContact O-N 3.39Å; Q70-K73 PolarHBondContact O-N 2.89Å; Q70-S74 VanDerWaalsContact O-CB 3.29Å; Q70-S74 WeakPolarHBondContact O-CB 3.36Å; Q70-S74 PolarHBondContact O-N 3.43Å |
| 71 | L | 90.7 | Very high | 84.8 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 7% | 0.073 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.7 | -50.7 | 176.7 | 177.4 | 63.4 | 0 | 0 | 0 | 111.2 | S67 Y68 K73 S74 I75 E117 Q121 | S67-L71 PolarHBondContact O-N 3.01Å; Y68-L71 HydrophobicContact CD2-CD2 4.22Å; Y68-L71 HydrophobicContact CE2-CD2 4.4Å; Y68-L71 WeakPolarHBondContact O-CB 3.47Å; Y68-L71 PolarHBondContact O-N 3.36Å; L71-K73 VanDerWaalsContact C-N 3.34Å; L71-K73 PolarHBondContact O-N 3.37Å; L71-S74 VanDerWaalsContact O-CB 3.32Å; L71-S74 WeakPolarHBondContact O-CB 3.38Å; L71-S74 PolarHBondContact O-N 3.49Å; L71-I75 HydrophobicContact CD1-CD1 4.1Å; L71-I75 HydrophobicContact CG-CD1 4.17Å; L71-I75 WeakPolarHBondContact O-CG1 3.42Å; L71-I75 PolarHBondContact O-N 2.86Å; L71-E117 WeakPolarHBondContact CD1-O 3.43Å; L71-Q121 HydrophobicContact CD1-CB 3.64Å |
| 72 | L | 93.2 | Very high | 85.9 | Confident | 30 Ų | 30 | 51 Ų | 51 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 178.6 | -68.1 | 177.1 | 0 | 0 | 0 | 112.4 | F21 V25 M28 Y68 Q70 I75 R76 | F21-L72 HydrophobicContact CE2-CD2 3.87Å; F21-L72 HydrophobicContact CZ-CD2 4.35Å; V25-L72 HydrophobicContact CG2-CB 4.25Å; M28-L72 HydrophobicContact CE-CB 4.17Å; M28-L72 HydrophobicContact CE-CD1 4.38Å; M28-L72 HydrophobicContact SD-CD1 3.84Å; Y68-L72 HydrophobicContact CD1-CD1 3.86Å; Y68-L72 HydrophobicContact CD1-CG 4.3Å; Y68-L72 HydrophobicContact CE1-CD1 3.49Å; Y68-L72 VanDerWaalsContact CE1-CD1 3.49Å; Y68-L72 HydrophobicContact CE1-CD2 4.32Å; Y68-L72 HydrophobicContact CE1-CG 3.98Å; Y68-L72 WeakPolarHBondContact O-CG 3.37Å; Y68-L72 PolarHBondContact O-N 2.75Å; Q70-L72 VanDerWaalsContact C-N 3.35Å; Q70-L72 PolarHBondContact O-N 3.39Å; L72-I75 PolarHBondContact O-N 3.4Å; L72-R76 PolarHBondContact O-N 2.97Å |
| 73 | K | 92.8 | Very high | 86.5 | Confident | 54 Ų | 54 | 46 Ų | 46 | 24% | 0.235 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.1 | -38.7 | 176.3 | -76.3 | -174.7 | 64.8 | 158.2 | 0 | 112.5 | V25 M28 D29 Y69 Q70 L71 R76 C77 | V25-K73 HydrophobicContact CG1-CG 4.18Å; M28-K73 HydrophobicContact CE-CG 4.02Å; D29-K73 IonicContact OD1-NZ 2.71Å; D29-K73 PolarHBondContact OD1-NZ 3.22Å; D29-K73 IonicContact OD2-NZ 3.73Å; Y69-K73 HydrophobicContact CD1-CD 4.24Å; Y69-K73 HydrophobicContact CD2-CD 4.33Å; Y69-K73 HydrophobicContact CE1-CD 3.59Å; Y69-K73 HydrophobicContact CE2-CD 3.68Å; Y69-K73 HydrophobicContact CE2-CG 4.41Å; Y69-K73 WeakPolarHBondContact O-CG 3.3Å; Y69-K73 PolarHBondContact O-N 2.74Å; Y69-K73 VanDerWaalsContact O-N 3.17Å; Y69-K73 WeakPolarHBondContact OH-CD 3.42Å; Y69-K73 PolarHBondContact OH-NZ 2.98Å; Q70-K73 PolarHBondContact O-N 2.89Å; L71-K73 VanDerWaalsContact C-N 3.34Å; L71-K73 PolarHBondContact O-N 3.37Å; K73-R76 PolarHBondContact O-N 3.24Å; K73-C77 PolarHBondContact O-N 3.37Å; K73-C77 PolarHBondContact O-SG 2.92Å |
| 74 | S | 90.4 | Very high | 86.1 | Confident | 41 Ų | 41 | 50.5 Ų | 50.5 | 29% | 0.287 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.7 | -49.2 | 176.7 | -160.7 | 0 | 0 | 0 | 0 | 110.6 | Q70 L71 R76 C77 D78 Q121 | Q70-S74 VanDerWaalsContact O-CB 3.29Å; Q70-S74 WeakPolarHBondContact O-CB 3.36Å; Q70-S74 PolarHBondContact O-N 3.43Å; L71-S74 VanDerWaalsContact O-CB 3.32Å; L71-S74 WeakPolarHBondContact O-CB 3.38Å; L71-S74 PolarHBondContact O-N 3.49Å; S74-R76 PolarHBondContact O-N 2.84Å; S74-C77 WeakPolarHBondContact O-CB 3.39Å; S74-C77 PolarHBondContact O-N 3.08Å; S74-D78 PolarHBondContact O-N 3.38Å; S74-Q121 PolarHBondContact OG-NE2 2.91Å; S74-Q121 PolarHBondContact OG-OE1 3.49Å |
| 75 | I | 91.5 | Very high | 84.6 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 6% | 0.062 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 176.2 | -64.6 | 169.7 | 0 | 0 | 0 | 111.4 | F21 L71 L72 C77 D78 I79 L120 Q121 F124 | F21-I75 HydrophobicContact CE1-CB 4.28Å; F21-I75 HydrophobicContact CE1-CG2 3.74Å; F21-I75 HydrophobicContact CZ-CB 4.01Å; F21-I75 HydrophobicContact CZ-CG2 3.74Å; L71-I75 HydrophobicContact CD1-CD1 4.1Å; L71-I75 HydrophobicContact CG-CD1 4.17Å; L71-I75 WeakPolarHBondContact O-CG1 3.42Å; L71-I75 PolarHBondContact O-N 2.86Å; L72-I75 PolarHBondContact O-N 3.4Å; I75-C77 VanDerWaalsContact C-N 3.35Å; I75-C77 PolarHBondContact O-N 3.44Å; I75-D78 PolarHBondContact O-N 3.33Å; I75-I79 HydrophobicContact CG2-CD1 4.19Å; I75-I79 WeakPolarHBondContact O-CG1 3.46Å; I75-I79 PolarHBondContact O-N 3.49Å; I75-I79 VanDerWaalsContact O-N 3.11Å; I75-L120 HydrophobicContact CD1-CG 4.47Å; I75-Q121 HydrophobicContact CG1-CB 4.34Å; I75-Q121 HydrophobicContact CG1-CG 4.46Å; I75-F124 HydrophobicContact CG2-CD1 3.97Å; I75-F124 HydrophobicContact CG2-CD2 4.45Å; I75-F124 HydrophobicContact CG2-CE1 4.07Å; I75-F124 HydrophobicContact CG2-CG 4.18Å; I75-F124 HydrophobicContact CG2-CZ 4.38Å |
| 76 | R | 93.2 | Very high | 82.7 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.4 | -48.4 | 173.8 | 179.2 | -170.3 | 67.7 | -170.1 | 0.9 | 111.1 | F21 I22 V25 N26 D29 L72 K73 S74 D78 I79 E80 | F21-R76 HydrophobicContact CE1-CB 4.12Å; I22-R76 HydrophobicContact CG1-CG 4.39Å; V25-R76 HydrophobicContact CB-CB 4.34Å; V25-R76 HydrophobicContact CG1-CB 3.87Å; V25-R76 HydrophobicContact CG1-CG 4.25Å; N26-R76 WeakPolarHBondContact OD1-CD 3.29Å; N26-R76 PolarHBondContact OD1-NH1 2.96Å; D29-R76 IonicContact OD2-CZ 3.52Å; D29-R76 IonicContact OD2-NH1 3Å; D29-R76 PolarHBondContact OD2-NH1 3.37Å; D29-R76 IonicContact OD2-NH2 3.03Å; D29-R76 PolarHBondContact OD2-NH2 3.11Å; L72-R76 PolarHBondContact O-N 2.97Å; K73-R76 PolarHBondContact O-N 3.24Å; S74-R76 PolarHBondContact O-N 2.84Å; R76-D78 VanDerWaalsContact C-N 3.3Å; R76-D78 PolarHBondContact O-N 3.12Å; R76-I79 PolarHBondContact O-N 2.92Å; R76-I79 VanDerWaalsContact O-N 3.12Å; R76-E80 HydrophobicContact CG-CG 4.32Å; R76-E80 PolarHBondContact O-N 3.36Å |
| 77 | C | 89.1 | Confident | 80.8 | Confident | 53 Ų | 53 | 60 Ų | 60 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 178.3 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | K73 S74 I75 I79 E80 W81 | K73-C77 PolarHBondContact O-N 3.37Å; K73-C77 PolarHBondContact O-SG 2.92Å; S74-C77 WeakPolarHBondContact O-CB 3.39Å; S74-C77 PolarHBondContact O-N 3.08Å; I75-C77 VanDerWaalsContact C-N 3.35Å; I75-C77 PolarHBondContact O-N 3.44Å; C77-I79 VanDerWaalsContact C-N 3.26Å; C77-I79 PolarHBondContact O-N 2.87Å; C77-E80 PolarHBondContact O-N 3.36Å; C77-W81 WeakPolarHBondContact O-CB 3.43Å; C77-W81 PolarHBondContact O-N 3.02Å |
| 78 | D | 89.1 | Confident | 78.7 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 9% | 0.086 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.7 | -32 | 177 | -75.1 | -18 | 0 | 0 | 0 | 112.6 | S74 I75 R76 G82 V83 Q121 F124 Q125 | S74-D78 PolarHBondContact O-N 3.38Å; I75-D78 PolarHBondContact O-N 3.33Å; R76-D78 VanDerWaalsContact C-N 3.3Å; R76-D78 PolarHBondContact O-N 3.12Å; D78-G82 CarbonylContact O-C 3.24Å; D78-G82 VanDerWaalsContact O-C 3.24Å; D78-G82 WeakPolarHBondContact O-CA 3.36Å; D78-G82 PolarHBondContact O-N 3.44Å; D78-G82 VanDerWaalsContact O-N 3.08Å; D78-V83 HydrophobicContact CB-CG2 4.25Å; D78-V83 PolarHBondContact O-N 2.95Å; D78-Q121 PolarHBondContact OD2-NE2 3.45Å; D78-F124 HydrophobicContact CB-CE1 4.25Å; D78-Q125 WeakPolarHBondContact OD2-CG 3.32Å; D78-Q125 PolarHBondContact OD2-NE2 3.49Å |
| 79 | I | 89.9 | Confident | 76.9 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 19% | 0.185 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -75.3 | -48 | 175.1 | -63.1 | 166.1 | 0 | 0 | 0 | 111.2 | M18 F21 I22 I75 R76 C77 F124 | M18-I79 HydrophobicContact CB-CG2 4.31Å; M18-I79 HydrophobicContact CE-CD1 4.47Å; M18-I79 HydrophobicContact CE-CG1 4.1Å; M18-I79 HydrophobicContact CE-CG2 4.32Å; M18-I79 HydrophobicContact CG-CD1 4.48Å; M18-I79 HydrophobicContact SD-CG2 4.3Å; F21-I79 HydrophobicContact CD1-CD1 3.5Å; F21-I79 HydrophobicContact CE1-CD1 3.7Å; I22-I79 HydrophobicContact CD1-CB 4.45Å; I22-I79 HydrophobicContact CD1-CG2 3.66Å; I22-I79 HydrophobicContact CG1-CG2 4.28Å; I75-I79 HydrophobicContact CG2-CD1 4.19Å; I75-I79 WeakPolarHBondContact O-CG1 3.46Å; I75-I79 PolarHBondContact O-N 3.49Å; I75-I79 VanDerWaalsContact O-N 3.11Å; R76-I79 PolarHBondContact O-N 2.92Å; R76-I79 VanDerWaalsContact O-N 3.12Å; C77-I79 VanDerWaalsContact C-N 3.26Å; C77-I79 PolarHBondContact O-N 2.87Å; I79-F124 HydrophobicContact CD1-CE1 4.39Å; I79-F124 HydrophobicContact CD1-CE2 4.46Å; I79-F124 HydrophobicContact CD1-CZ 3.81Å; I79-F124 HydrophobicContact CG1-CE1 3.75Å; I79-F124 HydrophobicContact CG1-CE2 4.47Å; I79-F124 HydrophobicContact CG1-CZ 3.41Å; I79-F124 VanDerWaalsContact CG1-CZ 3.41Å |
| 80 | E | 85.6 | Confident | 75.1 | Confident | 81 Ų | 81 | 67.3 Ų | 67.3 | 38% | 0.379 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.8 | -39.8 | -174.5 | -72 | 179.6 | 159.6 | 0 | 0 | 112.5 | I22 R76 C77 | I22-E80 HydrophobicContact CD1-CG 4.36Å; I22-E80 WeakPolarHBondContact CG2-OE1 3.38Å; R76-E80 HydrophobicContact CG-CG 4.32Å; R76-E80 PolarHBondContact O-N 3.36Å; C77-E80 PolarHBondContact O-N 3.36Å |
| 81 | W | 81.7 | Confident | 73.1 | Confident | 175 Ų | 175 | 71.2 Ų | 71.2 | 66% | 0.663 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -109.3 | -5.4 | -172.9 | -58.8 | 105 | 0 | 0 | 0 | 113.8 | C77 | C77-W81 WeakPolarHBondContact O-CB 3.43Å; C77-W81 PolarHBondContact O-N 3.02Å |
| 82 | G | 76.9 | Confident | 71.2 | Confident | 30 Ų | 30 | 77.5 Ų | 77.5 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | trans | 79 | 144.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | D78 M84 | D78-G82 CarbonylContact O-C 3.24Å; D78-G82 VanDerWaalsContact O-C 3.24Å; D78-G82 WeakPolarHBondContact O-CA 3.36Å; D78-G82 PolarHBondContact O-N 3.44Å; D78-G82 VanDerWaalsContact O-N 3.08Å; G82-M84 PolarHBondContact O-N 2.98Å | ||
| 83 | V | 68.2 | Low | 69.4 | Low | 13 Ų | 13 | 84.2 Ų | 84.2 | 8% | 0.079 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -21.5 | -179.4 | -179.7 | 0 | 0 | 0 | 0 | 113.6 | D78 R85 A86 Q125 M128 T129 | D78-V83 HydrophobicContact CB-CG2 4.25Å; D78-V83 PolarHBondContact O-N 2.95Å; V83-R85 PolarHBondContact O-N 3.22Å; V83-A86 PolarHBondContact O-N 2.94Å; V83-A86 VanDerWaalsContact O-N 3.09Å; V83-Q125 HydrophobicContact CG1-CB 3.79Å; V83-Q125 HydrophobicContact CG1-CG 3.83Å; V83-Q125 HydrophobicContact CG2-CG 4.35Å; V83-M128 HydrophobicContact CG2-CB 3.79Å; V83-T129 WeakPolarHBondContact CG1-OG1 3.43Å |
| 84 | M | 55.4 | Low | 67.4 | Low | 112 Ų | 112 | 88.6 Ų | 88.6 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.1 | -12.5 | -175.1 | -66.6 | -66.2 | 176.2 | 0 | 0 | 114.7 | G82 T129 | G82-M84 PolarHBondContact O-N 2.98Å; M84-T129 HydrophobicContact CE-CG2 4.32Å |
| 85 | R | 52.7 | Low | 65.3 | Low | 177 Ų | 177 | 89.9 Ų | 89.9 | 67% | 0.668 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -85.6 | -21.5 | 175 | -70.6 | -164.1 | 137.7 | 106.1 | 0.9 | 114.5 | V83 | V83-R85 PolarHBondContact O-N 3.22Å |
| 86 | A | 48.1 | Very low | 63.3 | Low | 26 Ų | 26 | 98.8 Ų | 98.8 | 22% | 0.215 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -79 | -41.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V83 A89 K90 | V83-A86 PolarHBondContact O-N 2.94Å; V83-A86 VanDerWaalsContact O-N 3.09Å; A86-A89 PolarHBondContact O-N 3.1Å; A86-K90 PolarHBondContact O-N 3.28Å |
| 87 | E | 48.3 | Very low | 61.4 | Low | 151 Ų | 151 | 100.6 Ų | 100.6 | 71% | 0.706 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.4 | -42.7 | 179.4 | -76.8 | -107.1 | 141.8 | 0 | 0 | 112.3 | A89 K90 K91 | E87-A89 VanDerWaalsContact C-N 3.3Å; E87-A89 PolarHBondContact O-N 3Å; E87-K90 PolarHBondContact O-N 3.38Å; E87-K91 PolarHBondContact O-N 3.03Å |
| 88 | E | 45.3 | Very low | 59.5 | Low | 109 Ų | 109 | 102.4 Ų | 102.4 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.9 | -25.1 | 179.7 | -58.2 | -170.5 | 171.1 | 0 | 0 | 113.1 | R92 | E88-R92 VanDerWaalsContact C-NH1 3.32Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 3.29Å; E88-R92 PolarHBondContact O-NH1 3.06Å; E88-R92 IonicContact OE2-CZ 3.71Å; E88-R92 IonicContact OE2-NH1 3.47Å; E88-R92 PolarHBondContact OE2-NH1 2.84Å; E88-R92 IonicContact OE2-NH2 2.98Å; E88-R92 PolarHBondContact OE2-NH2 2.97Å |
| 89 | A | 50.1 | Low | 57.7 | Low | 54 Ų | 54 | 108.9 Ų | 108.9 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.3 | -36.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A86 E87 R92 K93 | A86-A89 PolarHBondContact O-N 3.1Å; E87-A89 VanDerWaalsContact C-N 3.3Å; E87-A89 PolarHBondContact O-N 3Å; A89-R92 PolarHBondContact O-N 3.05Å; A89-K93 PolarHBondContact O-N 3.32Å; A89-K93 VanDerWaalsContact O-N 3.11Å |
| 90 | K | 53.4 | Low | 55.7 | Low | 132 Ų | 132 | 111.4 Ų | 111.4 | 57% | 0.574 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.9 | -42.1 | 174.1 | -73.7 | -172.7 | 176.2 | -176.6 | 0 | 111.9 | A86 E87 R92 K93 E94 | A86-K90 PolarHBondContact O-N 3.28Å; E87-K90 PolarHBondContact O-N 3.38Å; K90-R92 VanDerWaalsContact C-N 3.27Å; K90-R92 PolarHBondContact O-N 3Å; K90-K93 PolarHBondContact O-N 2.88Å; K90-E94 PolarHBondContact O-N 3.29Å |
| 91 | K | 50.6 | Low | 53.9 | Low | 158 Ų | 158 | 118.6 Ų | 118.6 | 69% | 0.687 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.9 | -32.2 | 174.1 | -166.6 | 175.1 | -178.4 | -179.8 | 0 | 113.2 | E87 S95 | E87-K91 PolarHBondContact O-N 3.03Å; K91-S95 WeakPolarHBondContact O-CB 3.41Å; K91-S95 PolarHBondContact O-N 2.98Å; K91-S95 PolarHBondContact O-OG 3.44Å |
| 92 | R | 50.5 | Low | 52.3 | Low | 145 Ų | 145 | 118.8 Ų | 118.8 | 55% | 0.547 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -74.8 | -26.7 | 173.9 | -71.5 | -179.5 | -166.7 | 97 | -0.6 | 113.5 | E88 A89 K90 S95 R96 | E88-R92 VanDerWaalsContact C-NH1 3.32Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 3.29Å; E88-R92 PolarHBondContact O-NH1 3.06Å; E88-R92 IonicContact OE2-CZ 3.71Å; E88-R92 IonicContact OE2-NH1 3.47Å; E88-R92 PolarHBondContact OE2-NH1 2.84Å; E88-R92 IonicContact OE2-NH2 2.98Å; E88-R92 PolarHBondContact OE2-NH2 2.97Å; A89-R92 PolarHBondContact O-N 3.05Å; K90-R92 VanDerWaalsContact C-N 3.27Å; K90-R92 PolarHBondContact O-N 3Å; R92-S95 WeakPolarHBondContact CA-OG 3.33Å; R92-S95 PolarHBondContact O-OG 3.03Å; R92-R96 WeakPolarHBondContact O-CG 3.29Å; R92-R96 PolarHBondContact O-N 2.71Å |
| 93 | K | 54.2 | Low | 50.4 | Low | 171 Ų | 171 | 124 Ų | 124 | 74% | 0.743 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -77.9 | -41.6 | 175 | -121 | -179.9 | 177.9 | -173.6 | 0 | 111.7 | A89 K90 S95 R96 A97 | A89-K93 PolarHBondContact O-N 3.32Å; A89-K93 VanDerWaalsContact O-N 3.11Å; K90-K93 PolarHBondContact O-N 2.88Å; K93-S95 PolarHBondContact O-N 3.46Å; K93-R96 PolarHBondContact O-N 3.34Å; K93-R96 VanDerWaalsContact O-N 3.17Å; K93-A97 PolarHBondContact O-N 3Å |
| 94 | E | 51.1 | Low | 48.9 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 69% | 0.687 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.9 | -36.7 | 177.6 | -154.2 | 173.3 | -153.3 | 0 | 0 | 112.2 | K90 S98 | K90-E94 PolarHBondContact O-N 3.29Å; E94-S98 PolarHBondContact O-N 3.03Å; E94-S98 PolarHBondContact O-OG 3.2Å |
| 95 | S | 47.3 | Very low | 48.2 | Very low | 67 Ų | 67 | 127.1 Ų | 127.1 | 47% | 0.469 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.7 | -22.3 | 172.9 | 48.3 | 0 | 0 | 0 | 0 | 114.5 | K91 R92 K93 | K91-S95 WeakPolarHBondContact O-CB 3.41Å; K91-S95 PolarHBondContact O-N 2.98Å; K91-S95 PolarHBondContact O-OG 3.44Å; R92-S95 WeakPolarHBondContact CA-OG 3.33Å; R92-S95 PolarHBondContact O-OG 3.03Å; K93-S95 PolarHBondContact O-N 3.46Å |
| 96 | R | 49.1 | Very low | 47.6 | Very low | 199 Ų | 199 | 127 Ų | 127 | 75% | 0.751 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -83.3 | -31.9 | 172.5 | -82.5 | 178.1 | 65.6 | 93.7 | -1.8 | 113.1 | R92 K93 S98 I99 | R92-R96 WeakPolarHBondContact O-CG 3.29Å; R92-R96 PolarHBondContact O-N 2.71Å; K93-R96 PolarHBondContact O-N 3.34Å; K93-R96 VanDerWaalsContact O-N 3.17Å; R96-S98 PolarHBondContact O-N 3.17Å; R96-I99 PolarHBondContact O-N 3.25Å |
| 97 | A | 53.8 | Low | 47.1 | Very low | 61 Ų | 61 | 134.8 Ų | 134.8 | 50% | 0.504 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -68.5 | -21.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K93 I99 | K93-A97 PolarHBondContact O-N 3Å; A97-I99 VanDerWaalsContact C-N 3.35Å |
| 98 | S | 48.3 | Very low | 46.6 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -15 | 178.1 | -56.3 | 0 | 0 | 0 | 0 | 114 | E94 R96 | E94-S98 PolarHBondContact O-N 3.03Å; E94-S98 PolarHBondContact O-OG 3.2Å; R96-S98 PolarHBondContact O-N 3.17Å |
| 99 | I | 51.2 | Low | 46.1 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 77% | 0.774 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -18.5 | -176.9 | -88.3 | 165.2 | 0 | 0 | 0 | 113.3 | R96 A97 | R96-I99 PolarHBondContact O-N 3.25Å; A97-I99 VanDerWaalsContact C-N 3.35Å |
| 100 | S | 47.7 | Very low | 45.4 | Very low | 90 Ų | 90 | 139 Ų | 139 | 63% | 0.629 | 71% | 0.707 | S | S | * | * | trans | -96.2 | 16.3 | -178.3 | 66.5 | 0 | 0 | 0 | 0 | 114.7 | M102 | S100-M102 PolarHBondContact O-N 3.4Š| ||
| 101 | R | 48.1 | Very low | 44.6 | Very low | 232 Ų | 232 | 138.6 Ų | 138.6 | 88% | 0.875 | 72% | 0.715 | S | S | * | * | trans | -79.9 | 57.4 | 170 | -76.7 | -173 | 176.3 | 165.7 | -0.2 | 111.4 | ||||
| 102 | M | 47.3 | Very low | 44.2 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 88% | 0.877 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -165.6 | 59.9 | 160.7 | -162.2 | 120.4 | 75.3 | 0 | 0 | 110.4 | S100 | S100-M102 PolarHBondContact O-N 3.4Š|
| 103 | D | 37 | Very low | 43.6 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -170.5 | 131.1 | 140.5 | -144 | 78.9 | 0 | 0 | 0 | 111.2 | ||
| 104 | S | 36.9 | Very low | 43.3 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | trans | 73.7 | 130.1 | 156 | -68.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 105 | A | 41.5 | Very low | 43.2 | Very low | 79 Ų | 79 | 132.2 Ų | 132.2 | 65% | 0.653 | 72% | 0.718 | S | S | * | * | trans | -85.3 | 172.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 106 | E | 39.6 | Very low | 43.3 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | 73.6 | 101.8 | 168.2 | -43.4 | -58.1 | 149.2 | 0 | 0 | 116 | ||||
| 107 | E | 37 | Very low | 43.4 | Very low | 188 Ų | 188 | 127.6 Ų | 127.6 | 88% | 0.879 | 70% | 0.701 | S | S | * | * | 163.4 | 131.5 | 106.6 | -104.2 | 179.6 | 164.7 | 0 | 0 | 109.6 | |||||
| 108 | D | 38.4 | Very low | 43.7 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | trans | 51.7 | 95.8 | 144.5 | -145 | 35.4 | 0 | 0 | 0 | 118.2 | ||||
| 109 | S | 36 | Very low | 45.1 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | trans | -119.3 | 82.3 | 163 | -176.1 | 0 | 0 | 0 | 0 | 107.2 | V111 | S109-V111 PolarHBondContact O-N 3.2Š| ||
| 110 | E | 34.2 | Very low | 46.6 | Very low | 169 Ų | 169 | 124.4 Ų | 124.4 | 79% | 0.79 | 67% | 0.67 | S | S | * | * | trans | -52.5 | 109.7 | 161.5 | -58.8 | -166.7 | 152.2 | 0 | 0 | 107.8 | ||||
| 111 | V | 36.3 | Very low | 48.2 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 75% | 0.752 | 65% | 0.646 | S | S | * | * | trans | -92.1 | 128.4 | -178.6 | -79.6 | 0 | 0 | 0 | 0 | 109.2 | S109 | S109-V111 PolarHBondContact O-N 3.2Š| ||
| 112 | S | 43.3 | Very low | 49.9 | Very low | 80 Ų | 80 | 114.8 Ų | 114.8 | 56% | 0.559 | 62% | 0.624 | S | S | * | * | trans | 86.3 | 75.5 | 141.7 | -158.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 113 | S | 37.8 | Very low | 51.8 | Low | 117 Ų | 117 | 110.9 Ų | 110.9 | 82% | 0.818 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -131.4 | 12.6 | 150.2 | -47.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 114 | E | 47 | Very low | 54.2 | Low | 151 Ų | 151 | 106.3 Ų | 106.3 | 71% | 0.706 | 58% | 0.577 | S | S | * | * | trans | -89.6 | 0.6 | -177.2 | -63.1 | -167.2 | 178.6 | 0 | 0 | 114.2 | D116 D118 | E114-D116 PolarHBondContact O-N 2.97Å; E114-D118 WeakPolarHBondContact O-CB 3.46Å; E114-D118 VanDerWaalsContact O-CG 3.29Å | ||
| 115 | E | 50 | Low | 56.6 | Low | 139 Ų | 139 | 102.3 Ų | 102.3 | 65% | 0.65 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -29.9 | -168.7 | -62.2 | -164.6 | 163.6 | 0 | 0 | 114 | ||
| 116 | D | 48.7 | Very low | 58.9 | Low | 110 Ų | 110 | 105.8 Ų | 105.8 | 59% | 0.588 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -38.4 | -170.9 | -72.6 | -37.7 | 0 | 0 | 0 | 114 | E114 D118 N119 | E114-D116 PolarHBondContact O-N 2.97Å; D116-D118 VanDerWaalsContact C-N 3.34Å; D116-N119 VanDerWaalsContact O-CB 3.26Å; D116-N119 WeakPolarHBondContact O-CB 3.37Å; D116-N119 PolarHBondContact O-N 3.36Å; D116-N119 VanDerWaalsContact O-N 3.17Å |
| 117 | E | 52 | Low | 61.4 | Low | 59 Ų | 59 | 102.4 Ų | 102.4 | 28% | 0.276 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68 | -38.1 | 174.4 | -65.7 | -167.9 | 163.7 | 0 | 0 | 111.7 | G63 S67 L71 N119 | G63-E117 VanDerWaalsContact CA-OE1 3.27Å; G63-E117 WeakPolarHBondContact CA-OE1 3.34Å; S67-E117 VanDerWaalsContact CB-OE2 3.23Å; S67-E117 WeakPolarHBondContact CB-OE2 3.33Å; L71-E117 WeakPolarHBondContact CD1-O 3.43Å; E117-N119 PolarHBondContact O-N 3.49Å |
| 118 | D | 60.1 | Low | 63.8 | Low | 51 Ų | 51 | 95.6 Ų | 95.6 | 27% | 0.273 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59 | -28.3 | 171.7 | -98 | -6.9 | 0 | 0 | 0 | 112.9 | E114 D116 L120 Q121 K122 | E114-D118 WeakPolarHBondContact O-CB 3.46Å; E114-D118 VanDerWaalsContact O-CG 3.29Å; D116-D118 VanDerWaalsContact C-N 3.34Å; D118-L120 PolarHBondContact O-N 2.99Å; D118-Q121 PolarHBondContact O-N 2.79Å; D118-K122 HydrophobicContact CB-CD 4.08Å; D118-K122 VanDerWaalsContact CB-NZ 3.29Å; D118-K122 VanDerWaalsContact O-CB 3.24Å; D118-K122 WeakPolarHBondContact O-CB 3.18Å; D118-K122 WeakPolarHBondContact O-CD 3.31Å; D118-K122 WeakPolarHBondContact O-CG 3.38Å; D118-K122 PolarHBondContact O-N 3.43Å; D118-K122 VanDerWaalsContact OD2-CE 3.25Å; D118-K122 WeakPolarHBondContact OD2-CE 3.33Å; D118-K122 IonicContact OD2-NZ 2.73Å; D118-K122 PolarHBondContact OD2-NZ 2.76Å |
| 119 | N | 77.9 | Confident | 66.2 | Low | 94 Ų | 94 | 92 Ų | 92 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | -171.5 | -172.3 | 36.3 | 0 | 0 | 0 | 111.4 | D116 E117 K122 Q123 | D116-N119 VanDerWaalsContact O-CB 3.26Å; D116-N119 WeakPolarHBondContact O-CB 3.37Å; D116-N119 PolarHBondContact O-N 3.36Å; D116-N119 VanDerWaalsContact O-N 3.17Å; E117-N119 PolarHBondContact O-N 3.49Å; N119-K122 PolarHBondContact O-N 3.22Å; N119-Q123 WeakPolarHBondContact O-CB 3.29Å; N119-Q123 PolarHBondContact O-N 2.93Å |
| 120 | L | 81.1 | Confident | 68.8 | Low | 91 Ų | 91 | 89.1 Ų | 89.1 | 48% | 0.476 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 179.2 | -174.4 | 62.2 | 0 | 0 | 0 | 111.4 | I75 D118 F124 | I75-L120 HydrophobicContact CD1-CG 4.47Å; D118-L120 PolarHBondContact O-N 2.99Å; L120-F124 WeakPolarHBondContact O-CB 3.45Å; L120-F124 PolarHBondContact O-N 3.39Å |
| 121 | Q | 81.7 | Confident | 71.6 | Confident | 30 Ų | 30 | 84.2 Ų | 84.2 | 14% | 0.14 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64.4 | -48.7 | 175.2 | 176.3 | 166 | 3 | 0 | 0 | 111.5 | L71 S74 I75 D78 D118 Q123 F124 Q125 | L71-Q121 HydrophobicContact CD1-CB 3.64Å; S74-Q121 PolarHBondContact OG-NE2 2.91Å; S74-Q121 PolarHBondContact OG-OE1 3.49Å; I75-Q121 HydrophobicContact CG1-CB 4.34Å; I75-Q121 HydrophobicContact CG1-CG 4.46Å; D78-Q121 PolarHBondContact OD2-NE2 3.45Å; D118-Q121 PolarHBondContact O-N 2.79Å; Q121-Q123 VanDerWaalsContact C-N 3.3Å; Q121-Q123 PolarHBondContact O-N 2.89Å; Q121-F124 PolarHBondContact O-N 2.93Å; Q121-Q125 HydrophobicContact CG-CG 4.34Å; Q121-Q125 WeakPolarHBondContact O-CB 3.2Å; Q121-Q125 VanDerWaalsContact O-CG 3.29Å; Q121-Q125 WeakPolarHBondContact O-CG 3.29Å; Q121-Q125 PolarHBondContact O-N 3.11Å |
| 122 | K | 84.1 | Confident | 74.1 | Confident | 91 Ų | 91 | 83.5 Ų | 83.5 | 40% | 0.396 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.5 | -43.4 | 178.1 | -74 | 167.2 | -173.2 | 161.1 | 0 | 111 | D118 N119 Q125 F126 | D118-K122 HydrophobicContact CB-CD 4.08Å; D118-K122 VanDerWaalsContact CB-NZ 3.29Å; D118-K122 VanDerWaalsContact O-CB 3.24Å; D118-K122 WeakPolarHBondContact O-CB 3.18Å; D118-K122 WeakPolarHBondContact O-CD 3.31Å; D118-K122 WeakPolarHBondContact O-CG 3.38Å; D118-K122 PolarHBondContact O-N 3.43Å; D118-K122 VanDerWaalsContact OD2-CE 3.25Å; D118-K122 WeakPolarHBondContact OD2-CE 3.33Å; D118-K122 IonicContact OD2-NZ 2.73Å; D118-K122 PolarHBondContact OD2-NZ 2.76Å; N119-K122 PolarHBondContact O-N 3.22Å; K122-Q125 PolarHBondContact O-N 3.29Å; K122-F126 WeakPolarHBondContact O-CB 3.39Å; K122-F126 PolarHBondContact O-N 3.49Å |
| 123 | Q | 87.3 | Confident | 76.4 | Confident | 96 Ų | 96 | 81.1 Ų | 81.1 | 45% | 0.449 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 176.7 | -176.1 | 178.2 | 34.4 | 0 | 0 | 111.6 | N119 Q121 Q125 F126 H127 | N119-Q123 WeakPolarHBondContact O-CB 3.29Å; N119-Q123 PolarHBondContact O-N 2.93Å; Q121-Q123 VanDerWaalsContact C-N 3.3Å; Q121-Q123 PolarHBondContact O-N 2.89Å; Q123-Q125 PolarHBondContact O-N 3.1Å; Q123-F126 PolarHBondContact O-N 3.01Å; Q123-H127 WeakPolarHBondContact CG-NE2 3.39Å; Q123-H127 PolarHBondContact O-CD2 3.28Å; Q123-H127 PolarHBondContact O-N 3.47Å |
| 124 | F | 87.2 | Confident | 79.1 | Confident | 45 Ų | 45 | 79.4 Ų | 79.4 | 20% | 0.197 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 176.8 | -179 | -96.5 | 0 | 0 | 0 | 111.6 | M18 I75 D78 I79 L120 Q121 F126 H127 M128 | M18-F124 HydrophobicContact CE-CE2 4.11Å; M18-F124 HydrophobicContact CE-CZ 3.76Å; I75-F124 HydrophobicContact CG2-CD1 3.97Å; I75-F124 HydrophobicContact CG2-CD2 4.45Å; I75-F124 HydrophobicContact CG2-CE1 4.07Å; I75-F124 HydrophobicContact CG2-CG 4.18Å; I75-F124 HydrophobicContact CG2-CZ 4.38Å; D78-F124 HydrophobicContact CB-CE1 4.25Å; I79-F124 HydrophobicContact CD1-CE1 4.39Å; I79-F124 HydrophobicContact CD1-CE2 4.46Å; I79-F124 HydrophobicContact CD1-CZ 3.81Å; I79-F124 HydrophobicContact CG1-CE1 3.75Å; I79-F124 HydrophobicContact CG1-CE2 4.47Å; I79-F124 HydrophobicContact CG1-CZ 3.41Å; I79-F124 VanDerWaalsContact CG1-CZ 3.41Å; L120-F124 WeakPolarHBondContact O-CB 3.45Å; L120-F124 PolarHBondContact O-N 3.39Å; Q121-F124 PolarHBondContact O-N 2.93Å; F124-F126 VanDerWaalsContact C-N 3.35Å; F124-F126 PolarHBondContact O-N 3.35Å; F124-H127 PolarHBondContact O-N 3.19Å; F124-M128 HydrophobicContact CD1-CG 4.1Å; F124-M128 HydrophobicContact CD2-CG 4.32Å; F124-M128 HydrophobicContact CE1-CG 3.55Å; F124-M128 HydrophobicContact CE2-CG 3.8Å; F124-M128 HydrophobicContact CE2-SD 4.28Å; F124-M128 HydrophobicContact CG-CG 4.43Å; F124-M128 HydrophobicContact CZ-CG 3.35Å; F124-M128 HydrophobicContact CZ-SD 4.03Å; F124-M128 WeakPolarHBondContact O-CB 3.47Å; F124-M128 WeakPolarHBondContact O-CG 3.26Å; F124-M128 PolarHBondContact O-N 2.85Å |
| 125 | Q | 87.5 | Confident | 81.4 | Confident | 26 Ų | 26 | 76.6 Ų | 76.6 | 12% | 0.121 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 177.9 | -73.8 | 178 | -10.4 | 0 | 0 | 112.2 | D78 V83 Q121 K122 Q123 M128 T129 | D78-Q125 WeakPolarHBondContact OD2-CG 3.32Å; D78-Q125 PolarHBondContact OD2-NE2 3.49Å; V83-Q125 HydrophobicContact CG1-CB 3.79Å; V83-Q125 HydrophobicContact CG1-CG 3.83Å; V83-Q125 HydrophobicContact CG2-CG 4.35Å; Q121-Q125 HydrophobicContact CG-CG 4.34Å; Q121-Q125 WeakPolarHBondContact O-CB 3.2Å; Q121-Q125 VanDerWaalsContact O-CG 3.29Å; Q121-Q125 WeakPolarHBondContact O-CG 3.29Å; Q121-Q125 PolarHBondContact O-N 3.11Å; K122-Q125 PolarHBondContact O-N 3.29Å; Q123-Q125 PolarHBondContact O-N 3.1Å; Q125-M128 PolarHBondContact O-N 3.34Å; Q125-T129 VanDerWaalsContact O-CB 3.31Å; Q125-T129 WeakPolarHBondContact O-CB 3.42Å; Q125-T129 PolarHBondContact O-N 3.07Å; Q125-T129 PolarHBondContact O-OG1 3.02Å |
| 126 | F | 89.5 | Confident | 83.5 | Confident | 152 Ų | 152 | 72.3 Ų | 72.3 | 67% | 0.667 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.2 | -51.3 | 177 | 176.4 | -98.5 | 0 | 0 | 0 | 111.5 | K122 Q123 F124 M128 T129 G130 | K122-F126 WeakPolarHBondContact O-CB 3.39Å; K122-F126 PolarHBondContact O-N 3.49Å; Q123-F126 PolarHBondContact O-N 3.01Å; F124-F126 VanDerWaalsContact C-N 3.35Å; F124-F126 PolarHBondContact O-N 3.35Å; F126-M128 PolarHBondContact O-N 3.09Å; F126-T129 PolarHBondContact O-N 3.43Å; F126-G130 PolarHBondContact O-N 2.98Å |
| 127 | H | 91.4 | Very high | 85.8 | Confident | 104 Ų | 104 | 74 Ų | 74 | 48% | 0.481 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | -179.3 | -68.7 | -46.6 | 0 | 0 | 0 | 112.6 | Q123 F124 G130 L131 | Q123-H127 WeakPolarHBondContact CG-NE2 3.39Å; Q123-H127 PolarHBondContact O-CD2 3.28Å; Q123-H127 PolarHBondContact O-N 3.47Å; F124-H127 PolarHBondContact O-N 3.19Å; H127-G130 PolarHBondContact O-N 3.2Å; H127-L131 WeakPolarHBondContact O-CB 3.48Å; H127-L131 PolarHBondContact O-N 2.82Å |
| 128 | M | 89.1 | Confident | 87.9 | Confident | 45 Ų | 45 | 75.6 Ų | 75.6 | 22% | 0.222 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 179.1 | -76.1 | -52.4 | -57.5 | 0 | 0 | 112.7 | M18 V83 F124 Q125 F126 L131 H132 | M18-M128 HydrophobicContact CE-CE 3.53Å; M18-M128 HydrophobicContact CE-CG 4.37Å; M18-M128 HydrophobicContact CE-SD 3.32Å; M18-M128 WeakPolarHBondContact CE-SD 3.36Å; V83-M128 HydrophobicContact CG2-CB 3.79Å; F124-M128 HydrophobicContact CD1-CG 4.1Å; F124-M128 HydrophobicContact CD2-CG 4.32Å; F124-M128 HydrophobicContact CE1-CG 3.55Å; F124-M128 HydrophobicContact CE2-CG 3.8Å; F124-M128 HydrophobicContact CE2-SD 4.28Å; F124-M128 HydrophobicContact CG-CG 4.43Å; F124-M128 HydrophobicContact CZ-CG 3.35Å; F124-M128 HydrophobicContact CZ-SD 4.03Å; F124-M128 WeakPolarHBondContact O-CB 3.47Å; F124-M128 WeakPolarHBondContact O-CG 3.26Å; F124-M128 PolarHBondContact O-N 2.85Å; Q125-M128 PolarHBondContact O-N 3.34Å; F126-M128 PolarHBondContact O-N 3.09Å; M128-L131 PolarHBondContact O-N 3.03Å; M128-H132 VanDerWaalsContact O-CB 3.3Å; M128-H132 WeakPolarHBondContact O-CB 3.34Å; M128-H132 PolarHBondContact O-N 3.24Å |
| 129 | T | 89 | Confident | 89.6 | Confident | 56 Ų | 56 | 76.9 Ų | 76.9 | 34% | 0.344 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 175.4 | -57.4 | 0 | 0 | 0 | 0 | 111 | V83 M84 Q125 F126 H132 G133 | V83-T129 WeakPolarHBondContact CG1-OG1 3.43Å; M84-T129 HydrophobicContact CE-CG2 4.32Å; Q125-T129 VanDerWaalsContact O-CB 3.31Å; Q125-T129 WeakPolarHBondContact O-CB 3.42Å; Q125-T129 PolarHBondContact O-N 3.07Å; Q125-T129 PolarHBondContact O-OG1 3.02Å; F126-T129 PolarHBondContact O-N 3.43Å; T129-H132 PolarHBondContact O-N 2.91Å; T129-G133 PolarHBondContact O-N 3.28Å |
| 130 | G | 90.6 | Very high | 90.6 | Very high | 41 Ų | 41 | 78 Ų | 78 | 42% | 0.423 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.2 | -48.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | F126 H127 H132 G133 V134 | F126-G130 PolarHBondContact O-N 2.98Å; H127-G130 PolarHBondContact O-N 3.2Å; G130-H132 PolarHBondContact O-N 3.37Å; G130-G133 PolarHBondContact O-N 2.88Å; G130-V134 WeakPolarHBondContact O-CG2 3.24Å; G130-V134 PolarHBondContact O-N 2.76Å |
| 131 | L | 92 | Very high | 91.3 | Very high | 66 Ų | 66 | 79.7 Ų | 79.7 | 35% | 0.346 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 177.7 | -177.3 | 59.9 | 0 | 0 | 0 | 111.6 | L14 H127 M128 G133 V134 L135 | L14-L131 HydrophobicContact CD2-CD2 3.6Å; H127-L131 WeakPolarHBondContact O-CB 3.48Å; H127-L131 PolarHBondContact O-N 2.82Å; M128-L131 PolarHBondContact O-N 3.03Å; L131-G133 VanDerWaalsContact C-N 3.31Å; L131-G133 PolarHBondContact O-N 3.43Å; L131-V134 PolarHBondContact O-N 3.42Å; L131-L135 HydrophobicContact CD1-CD1 4.19Å; L131-L135 HydrophobicContact CD1-CG 4.21Å; L131-L135 HydrophobicContact CG-CD1 4Å; L131-L135 HydrophobicContact CG-CG 4.43Å; L131-L135 WeakPolarHBondContact O-CB 3.44Å; L131-L135 WeakPolarHBondContact O-CG 3.26Å; L131-L135 PolarHBondContact O-N 3.24Å |
| 132 | H | 88.6 | Confident | 92.1 | Very high | 110 Ų | 110 | 80.6 Ų | 80.6 | 51% | 0.509 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58 | -44.1 | 175.9 | 178.8 | -91.6 | 0 | 0 | 0 | 111.6 | M128 T129 G130 V134 L135 S136 | M128-H132 VanDerWaalsContact O-CB 3.3Å; M128-H132 WeakPolarHBondContact O-CB 3.34Å; M128-H132 PolarHBondContact O-N 3.24Å; T129-H132 PolarHBondContact O-N 2.91Å; G130-H132 PolarHBondContact O-N 3.37Å; H132-V134 PolarHBondContact O-N 3.12Å; H132-L135 PolarHBondContact O-N 2.91Å; H132-S136 WeakPolarHBondContact O-CB 3.14Å; H132-S136 PolarHBondContact O-N 3.41Å |
| 133 | G | 91.1 | Very high | 92.7 | Very high | 30 Ų | 30 | 80.5 Ų | 80.5 | 31% | 0.309 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T129 G130 L131 K137 | T129-G133 PolarHBondContact O-N 3.28Å; G130-G133 PolarHBondContact O-N 2.88Å; L131-G133 VanDerWaalsContact C-N 3.31Å; L131-G133 PolarHBondContact O-N 3.43Å; G133-K137 WeakPolarHBondContact O-CG 3.33Å; G133-K137 PolarHBondContact O-N 3.21Å |
| 134 | V | 95.9 | Very high | 93.1 | Very high | 81 Ų | 81 | 80 Ų | 80 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.1 | -48.8 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 111 | G130 L131 H132 S136 K137 L138 | G130-V134 WeakPolarHBondContact O-CG2 3.24Å; G130-V134 PolarHBondContact O-N 2.76Å; L131-V134 PolarHBondContact O-N 3.42Å; H132-V134 PolarHBondContact O-N 3.12Å; V134-S136 VanDerWaalsContact C-N 3.29Å; V134-S136 PolarHBondContact O-N 3.42Å; V134-K137 PolarHBondContact O-N 2.95Å; V134-L138 HydrophobicContact CG1-CD1 3.82Å; V134-L138 HydrophobicContact CG1-CG 4.31Å; V134-L138 WeakPolarHBondContact O-CG 3.29Å; V134-L138 PolarHBondContact O-N 3.17Å |
| 135 | L | 94 | Very high | 93.6 | Very high | 91 Ų | 91 | 83.9 Ų | 83.9 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 179.2 | -70.9 | 175.2 | 0 | 0 | 0 | 112.1 | L131 H132 L138 T139 | L131-L135 HydrophobicContact CD1-CD1 4.19Å; L131-L135 HydrophobicContact CD1-CG 4.21Å; L131-L135 HydrophobicContact CG-CD1 4Å; L131-L135 HydrophobicContact CG-CG 4.43Å; L131-L135 WeakPolarHBondContact O-CB 3.44Å; L131-L135 WeakPolarHBondContact O-CG 3.26Å; L131-L135 PolarHBondContact O-N 3.24Å; H132-L135 PolarHBondContact O-N 2.91Å; L135-L138 PolarHBondContact O-N 2.84Å; L135-T139 VanDerWaalsContact O-CB 3.29Å; L135-T139 WeakPolarHBondContact O-CB 3.22Å; L135-T139 PolarHBondContact O-N 3.12Å; L135-T139 PolarHBondContact O-OG1 3.18Å |
| 136 | S | 94.3 | Very high | 94 | Very high | 50 Ų | 50 | 85.9 Ų | 85.9 | 35% | 0.35 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 175.3 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | H132 V134 T139 Q140 | H132-S136 WeakPolarHBondContact O-CB 3.14Å; H132-S136 PolarHBondContact O-N 3.41Å; V134-S136 VanDerWaalsContact C-N 3.29Å; V134-S136 PolarHBondContact O-N 3.42Å; S136-T139 PolarHBondContact O-N 3.03Å; S136-Q140 WeakPolarHBondContact O-CG 3.42Å; S136-Q140 PolarHBondContact O-N 3.5Å |
| 137 | K | 96.6 | Very high | 94.2 | Very high | 145 Ų | 145 | 82.7 Ų | 82.7 | 63% | 0.63 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.1 | -46.6 | 176.9 | -70.8 | 177.8 | -177.5 | 178.6 | 0 | 112.1 | G133 V134 T139 Q140 Q141 | G133-K137 WeakPolarHBondContact O-CG 3.33Å; G133-K137 PolarHBondContact O-N 3.21Å; V134-K137 PolarHBondContact O-N 2.95Å; K137-T139 VanDerWaalsContact C-N 3.3Å; K137-T139 PolarHBondContact O-N 3.39Å; K137-Q140 PolarHBondContact O-N 3.36Å; K137-Q141 WeakPolarHBondContact O-CG 3.48Å; K137-Q141 PolarHBondContact O-N 3.11Å |
| 138 | L | 97.5 | Very high | 94.3 | Very high | 92 Ų | 92 | 84.9 Ų | 84.9 | 48% | 0.482 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 178.4 | -70.3 | 174.3 | 0 | 0 | 0 | 111.6 | V134 L135 Q141 A142 | V134-L138 HydrophobicContact CG1-CD1 3.82Å; V134-L138 HydrophobicContact CG1-CG 4.31Å; V134-L138 WeakPolarHBondContact O-CG 3.29Å; V134-L138 PolarHBondContact O-N 3.17Å; L135-L138 PolarHBondContact O-N 2.84Å; L138-Q141 PolarHBondContact O-N 3.1Å; L138-A142 WeakPolarHBondContact O-CB 3.35Å; L138-A142 PolarHBondContact O-N 3.31Å |
| 139 | T | 96.1 | Very high | 94.6 | Very high | 78 Ų | 78 | 89.9 Ų | 89.9 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | L135 S136 K137 Q141 A142 N143 | L135-T139 VanDerWaalsContact O-CB 3.29Å; L135-T139 WeakPolarHBondContact O-CB 3.22Å; L135-T139 PolarHBondContact O-N 3.12Å; L135-T139 PolarHBondContact O-OG1 3.18Å; S136-T139 PolarHBondContact O-N 3.03Å; K137-T139 VanDerWaalsContact C-N 3.3Å; K137-T139 PolarHBondContact O-N 3.39Å; T139-Q141 PolarHBondContact O-N 3.03Å; T139-A142 PolarHBondContact O-N 3.19Å; T139-N143 WeakPolarHBondContact O-CB 3.47Å; T139-N143 VanDerWaalsContact O-CG 3.26Å; T139-N143 PolarHBondContact O-N 3.38Å; T139-N143 PolarHBondContact O-ND2 2.67Å |
| 140 | Q | 97.2 | Very high | 94.7 | Very high | 119 Ų | 119 | 91.8 Ų | 91.8 | 56% | 0.556 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.6 | -41.9 | 175.1 | -70.1 | 175.3 | 17 | 0 | 0 | 112.3 | S136 K137 N143 T144 | S136-Q140 WeakPolarHBondContact O-CG 3.42Å; S136-Q140 PolarHBondContact O-N 3.5Å; K137-Q140 PolarHBondContact O-N 3.36Å; Q140-N143 PolarHBondContact O-N 3.27Å; Q140-T144 WeakPolarHBondContact O-CB 3.49Å; Q140-T144 PolarHBondContact O-N 3.37Å; Q140-T144 PolarHBondContact O-OG1 3.33Å |
| 141 | Q | 97.6 | Very high | 94.7 | Very high | 125 Ų | 125 | 95.3 Ų | 95.3 | 58% | 0.584 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.6 | -45.8 | 176.3 | -73.3 | 179.5 | -28.1 | 0 | 0 | 111.5 | K137 L138 T139 N143 T144 L145 | K137-Q141 WeakPolarHBondContact O-CG 3.48Å; K137-Q141 PolarHBondContact O-N 3.11Å; L138-Q141 PolarHBondContact O-N 3.1Å; T139-Q141 PolarHBondContact O-N 3.03Å; Q141-N143 PolarHBondContact O-N 3.06Å; Q141-T144 PolarHBondContact O-N 3.04Å; Q141-L145 WeakPolarHBondContact O-CB 3.27Å; Q141-L145 PolarHBondContact O-N 2.62Å |
| 142 | A | 97.9 | Very high | 94.6 | Very high | 50 Ų | 50 | 99.4 Ų | 99.4 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L138 T139 L145 T146 | L138-A142 WeakPolarHBondContact O-CB 3.35Å; L138-A142 PolarHBondContact O-N 3.31Å; T139-A142 PolarHBondContact O-N 3.19Å; A142-L145 PolarHBondContact O-N 2.9Å; A142-T146 WeakPolarHBondContact O-CB 3.23Å; A142-T146 PolarHBondContact O-N 2.96Å; A142-T146 PolarHBondContact O-OG1 3.43Å |
| 143 | N | 96.3 | Very high | 94.7 | Very high | 89 Ų | 89 | 97.6 Ų | 97.6 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 175.5 | -72.8 | -27.5 | 0 | 0 | 0 | 111.8 | T139 Q140 Q141 T146 N147 | T139-N143 WeakPolarHBondContact O-CB 3.47Å; T139-N143 VanDerWaalsContact O-CG 3.26Å; T139-N143 PolarHBondContact O-N 3.38Å; T139-N143 PolarHBondContact O-ND2 2.67Å; Q140-N143 PolarHBondContact O-N 3.27Å; Q141-N143 PolarHBondContact O-N 3.06Å; N143-T146 PolarHBondContact O-N 2.76Å; N143-N147 WeakPolarHBondContact O-CB 3.28Å; N143-N147 PolarHBondContact O-N 3.31Å; N143-N147 PolarHBondContact O-ND2 3.05Å |
| 144 | T | 96.7 | Very high | 94 | Very high | 84 Ų | 84 | 98.8 Ų | 98.8 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.9 | -58.3 | 0 | 0 | 0 | 0 | 111 | Q140 Q141 T146 N147 R148 | Q140-T144 WeakPolarHBondContact O-CB 3.49Å; Q140-T144 PolarHBondContact O-N 3.37Å; Q140-T144 PolarHBondContact O-OG1 3.33Å; Q141-T144 PolarHBondContact O-N 3.04Å; T144-T146 PolarHBondContact O-N 3.48Å; T144-N147 PolarHBondContact O-N 3.49Å; T144-R148 WeakPolarHBondContact O-CB 3.2Å; T144-R148 WeakPolarHBondContact O-CG 3.49Å; T144-R148 PolarHBondContact O-N 3.32Å |
| 145 | L | 96.6 | Very high | 92.6 | Very high | 127 Ų | 127 | 99.8 Ų | 99.8 | 67% | 0.665 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.6 | -46.6 | 176.1 | -179.7 | 66.1 | 0 | 0 | 0 | 111.5 | Q141 A142 N147 R148 Y149 | Q141-L145 WeakPolarHBondContact O-CB 3.27Å; Q141-L145 PolarHBondContact O-N 2.62Å; A142-L145 PolarHBondContact O-N 2.9Å; L145-N147 VanDerWaalsContact C-N 3.33Å; L145-N147 PolarHBondContact O-N 2.96Å; L145-R148 PolarHBondContact O-N 3.23Å; L145-Y149 PolarHBondContact O-N 2.71Å |
| 146 | T | 95.6 | Very high | 91 | Very high | 68 Ų | 68 | 97.6 Ų | 97.6 | 42% | 0.417 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 178.1 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | A142 N143 T144 Y149 K150 | A142-T146 WeakPolarHBondContact O-CB 3.23Å; A142-T146 PolarHBondContact O-N 2.96Å; A142-T146 PolarHBondContact O-OG1 3.43Å; N143-T146 PolarHBondContact O-N 2.76Å; T144-T146 PolarHBondContact O-N 3.48Å; T146-Y149 PolarHBondContact O-N 2.73Å; T146-K150 WeakPolarHBondContact O-CG 3.35Å; T146-K150 PolarHBondContact O-N 3.06Å |
| 147 | N | 94 | Very high | 89 | Confident | 85 Ų | 85 | 100.5 Ų | 100.5 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 178.7 | -71.3 | -20.1 | 0 | 0 | 0 | 112.1 | N143 T144 L145 Y149 K150 Q151 | N143-N147 WeakPolarHBondContact O-CB 3.28Å; N143-N147 PolarHBondContact O-N 3.31Å; N143-N147 PolarHBondContact O-ND2 3.05Å; T144-N147 PolarHBondContact O-N 3.49Å; L145-N147 VanDerWaalsContact C-N 3.33Å; L145-N147 PolarHBondContact O-N 2.96Å; N147-Y149 VanDerWaalsContact C-N 3.35Å; N147-K150 PolarHBondContact O-N 3.37Å; N147-Q151 WeakPolarHBondContact O-CG 3.25Å; N147-Q151 PolarHBondContact O-N 2.96Å |
| 148 | R | 93.5 | Very high | 86.6 | Confident | 150 Ų | 150 | 106.5 Ų | 106.5 | 57% | 0.566 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.7 | -47.7 | 173.1 | -77.8 | -63.2 | -148.5 | 164.2 | 7.2 | 111.2 | T144 L145 K150 Q151 E152 | T144-R148 WeakPolarHBondContact O-CB 3.2Å; T144-R148 WeakPolarHBondContact O-CG 3.49Å; T144-R148 PolarHBondContact O-N 3.32Å; L145-R148 PolarHBondContact O-N 3.23Å; R148-K150 VanDerWaalsContact C-N 3.34Å; R148-K150 PolarHBondContact O-N 3.3Å; R148-Q151 WeakPolarHBondContact O-CB 3.47Å; R148-Q151 PolarHBondContact O-N 3.02Å; R148-Q151 VanDerWaalsContact O-N 3.12Å; R148-E152 WeakPolarHBondContact O-CG 3.26Å; R148-E152 PolarHBondContact O-N 3.38Å |
| 149 | Y | 94.6 | Very high | 86.1 | Confident | 151 Ų | 151 | 107.2 Ų | 107.2 | 59% | 0.592 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -58.6 | -45.2 | 177 | -179.6 | -108.5 | 0 | 0 | 0 | 112.1 | L145 T146 N147 Q151 E152 I153 | L145-Y149 PolarHBondContact O-N 2.71Å; T146-Y149 PolarHBondContact O-N 2.73Å; N147-Y149 VanDerWaalsContact C-N 3.35Å; Y149-Q151 VanDerWaalsContact C-N 3.27Å; Y149-Q151 PolarHBondContact O-N 3.25Å; Y149-E152 PolarHBondContact O-N 3.48Å; Y149-I153 HydrophobicContact CD1-CD1 3.91Å; Y149-I153 HydrophobicContact CD2-CG2 4.35Å; Y149-I153 HydrophobicContact CE1-CD1 3.54Å; Y149-I153 HydrophobicContact CE1-CG2 4.28Å; Y149-I153 HydrophobicContact CE2-CG2 3.81Å; Y149-I153 WeakPolarHBondContact O-CG1 3.48Å; Y149-I153 PolarHBondContact O-N 3.01Å; Y149-I153 VanDerWaalsContact O-N 3.11Å |
| 150 | K | 92.5 | Very high | 85.6 | Confident | 96 Ų | 96 | 108.7 Ų | 108.7 | 42% | 0.417 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.4 | -36.1 | 175.5 | -74.4 | 176.2 | 178.2 | -178.3 | 0 | 113.4 | T146 N147 R148 G154 I155 G156 | T146-K150 WeakPolarHBondContact O-CG 3.35Å; T146-K150 PolarHBondContact O-N 3.06Å; N147-K150 PolarHBondContact O-N 3.37Å; R148-K150 VanDerWaalsContact C-N 3.34Å; R148-K150 PolarHBondContact O-N 3.3Å; K150-G154 PolarHBondContact O-N 3.11Å; K150-I155 PolarHBondContact O-N 3.17Å; K150-G156 PolarHBondContact O-N 3Å |
| 151 | Q | 90.5 | Very high | 84.9 | Confident | 115 Ų | 115 | 108.2 Ų | 108.2 | 54% | 0.537 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.7 | -45.5 | 175.5 | -70.6 | 168.5 | -6.5 | 0 | 0 | 111.4 | N147 R148 Y149 I153 G154 | N147-Q151 WeakPolarHBondContact O-CG 3.25Å; N147-Q151 PolarHBondContact O-N 2.96Å; R148-Q151 WeakPolarHBondContact O-CB 3.47Å; R148-Q151 PolarHBondContact O-N 3.02Å; R148-Q151 VanDerWaalsContact O-N 3.12Å; Y149-Q151 VanDerWaalsContact C-N 3.27Å; Y149-Q151 PolarHBondContact O-N 3.25Å; Q151-I153 VanDerWaalsContact C-N 3.33Å; Q151-I153 PolarHBondContact O-N 3.42Å; Q151-G154 PolarHBondContact O-N 3.01Å; Q151-G154 VanDerWaalsContact O-N 3.14Å |
| 152 | E | 90.1 | Very high | 84.2 | Confident | 152 Ų | 152 | 107.2 Ų | 107.2 | 71% | 0.71 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.2 | -36.1 | -179.5 | -66 | -59.9 | 152.5 | 0 | 0 | 112.9 | R148 Y149 G154 | R148-E152 WeakPolarHBondContact O-CG 3.26Å; R148-E152 PolarHBondContact O-N 3.38Å; Y149-E152 PolarHBondContact O-N 3.48Å; E152-G154 VanDerWaalsContact C-N 3.3Å; E152-G154 PolarHBondContact O-N 3.39Å |
| 153 | I | 91.1 | Very high | 83.3 | Confident | 72 Ų | 72 | 110.8 Ų | 110.8 | 37% | 0.369 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.1 | 4.2 | 178.1 | 67.5 | -175.2 | 0 | 0 | 0 | 113.6 | Y149 Q151 I155 | Y149-I153 HydrophobicContact CD1-CD1 3.91Å; Y149-I153 HydrophobicContact CD2-CG2 4.35Å; Y149-I153 HydrophobicContact CE1-CD1 3.54Å; Y149-I153 HydrophobicContact CE1-CG2 4.28Å; Y149-I153 HydrophobicContact CE2-CG2 3.81Å; Y149-I153 WeakPolarHBondContact O-CG1 3.48Å; Y149-I153 PolarHBondContact O-N 3.01Å; Y149-I153 VanDerWaalsContact O-N 3.11Å; Q151-I153 VanDerWaalsContact C-N 3.33Å; Q151-I153 PolarHBondContact O-N 3.42Å; I153-I155 VanDerWaalsContact C-N 3.26Å; I153-I155 HydrophobicContact CD1-CB 4.29Å; I153-I155 HydrophobicContact CD1-CD1 3.49Å; I153-I155 VanDerWaalsContact CD1-CD1 3.49Å; I153-I155 HydrophobicContact CD1-CG1 4.03Å; I153-I155 HydrophobicContact CG1-CB 4.03Å; I153-I155 HydrophobicContact CG1-CD1 3.84Å; I153-I155 HydrophobicContact CG1-CG1 3.81Å; I153-I155 PolarHBondContact O-N 2.89Å |
| 154 | G | 74.4 | Confident | 82.5 | Confident | 55 Ų | 55 | 112.2 Ų | 112.2 | 57% | 0.567 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.3 | 14.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | K150 Q151 E152 G156 | K150-G154 PolarHBondContact O-N 3.11Å; Q151-G154 PolarHBondContact O-N 3.01Å; Q151-G154 VanDerWaalsContact O-N 3.14Å; E152-G154 VanDerWaalsContact C-N 3.3Å; E152-G154 PolarHBondContact O-N 3.39Å; G154-G156 VanDerWaalsContact C-N 3.34Å |
| 155 | I | 67.3 | Low | 81.4 | Confident | 102 Ų | 102 | 114.2 Ų | 114.2 | 52% | 0.523 | 58% | 0.578 | S | S | . | * | trans | -88.2 | -6.1 | 177.8 | -62.6 | 177.9 | 0 | 0 | 0 | 111.3 | K150 I153 C157 | K150-I155 PolarHBondContact O-N 3.17Å; I153-I155 VanDerWaalsContact C-N 3.26Å; I153-I155 HydrophobicContact CD1-CB 4.29Å; I153-I155 HydrophobicContact CD1-CD1 3.49Å; I153-I155 VanDerWaalsContact CD1-CD1 3.49Å; I153-I155 HydrophobicContact CD1-CG1 4.03Å; I153-I155 HydrophobicContact CG1-CB 4.03Å; I153-I155 HydrophobicContact CG1-CD1 3.84Å; I153-I155 HydrophobicContact CG1-CG1 3.81Å; I153-I155 PolarHBondContact O-N 2.89Å; I155-C157 PolarHBondContact O-N 3.03Å | ||
| 156 | G | 59.7 | Low | 80.3 | Confident | 44 Ų | 44 | 113.2 Ų | 113.2 | 45% | 0.454 | 57% | 0.571 | S | S | . | * | trans | -87.9 | 11.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | K150 G154 | K150-G156 PolarHBondContact O-N 3Å; G154-G156 VanDerWaalsContact C-N 3.34Å | ||
| 157 | C | 52.5 | Low | 79 | Confident | 111 Ų | 111 | 117 Ų | 117 | 75% | 0.75 | 58% | 0.584 | S | S | * | * | trans | -129 | 77 | -177.8 | -76.7 | 0 | 0 | 0 | 0 | 113.2 | I155 | I155-C157 PolarHBondContact O-N 3.03Š| ||
| 158 | Y | 48 | Very low | 77.6 | Confident | 271 Ų | 271 | 119.9 Ų | 119.9 | 100% | 1.063 | 60% | 0.595 | S | S | * | * | trans | -158.7 | 0 | 143.7 | 6.5 | -99.1 | 0 | 0 | 0 | 109.7 |
Retrieved 158 of 158 residues in 157.7 ms
(Link to these results)