| 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 | 49.7 | Very low | 83.2 | Confident | 245 Ų | 245 | 111.9 Ų | 111.9 | 100% | 1.207 | 65% | 0.653 | S | S | * | * | 0 | 118.6 | 0 | -62.4 | -178 | -144.3 | 0 | 0 | 106.1 | |||||
| 2 | V | 71.5 | Confident | 83.7 | Confident | 147 Ų | 147 | 111.4 Ų | 111.4 | 89% | 0.891 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 122.1 | -178.8 | 179.2 | 0 | 0 | 0 | 0 | 107.6 | ||
| 3 | E | 73.5 | Confident | 84.1 | Confident | 172 Ų | 172 | 117.3 Ų | 117.3 | 80% | 0.804 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 134.9 | 177.9 | -150.2 | 172.9 | -166.3 | 0 | 0 | 109.3 | T5 | E3-T5 PolarHBondContact O-N 3.42Š|
| 4 | P | 80.7 | Confident | 84.4 | Confident | 95 Ų | 95 | 116.6 Ų | 116.6 | 62% | 0.617 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 128.7 | -177.5 | -6.3 | 15.1 | 0 | 0 | 0 | 110.5 | V9 | P4-V9 HydrophobicContact CB-CG2 3.88Š|
| 5 | T | 92.4 | Very high | 84.5 | Confident | 98 Ų | 98 | 117.7 Ų | 117.7 | 60% | 0.601 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 144.1 | 173.6 | -45.9 | 0 | 0 | 0 | 0 | 110.4 | E3 S7 G8 V9 | E3-T5 PolarHBondContact O-N 3.42Å; T5-S7 WeakPolarHBondContact CG2-OG 3.35Å; T5-S7 PolarHBondContact O-N 2.92Å; T5-S7 VanDerWaalsContact O-N 3.16Å; T5-G8 WeakPolarHBondContact O-CA 3.38Å; T5-G8 PolarHBondContact O-N 3.12Å; T5-V9 PolarHBondContact O-N 3.03Å; T5-V9 VanDerWaalsContact O-N 3.09Å |
| 6 | A | 90.3 | Very high | 84.7 | Confident | 84 Ų | 84 | 115.4 Ų | 115.4 | 69% | 0.694 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -52.9 | -37.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V9 F10 | A6-V9 PolarHBondContact O-N 3.18Å; A6-F10 PolarHBondContact O-N 3.28Å; A6-F10 VanDerWaalsContact O-N 3.08Å |
| 7 | S | 92.4 | Very high | 85 | Confident | 75 Ų | 75 | 117.5 Ų | 117.5 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.1 | -39.6 | 173.4 | 54 | 0 | 0 | 0 | 0 | 112.6 | T5 F10 C11 | T5-S7 WeakPolarHBondContact CG2-OG 3.35Å; T5-S7 PolarHBondContact O-N 2.92Å; T5-S7 VanDerWaalsContact O-N 3.16Å; S7-F10 PolarHBondContact O-N 3.48Å; S7-C11 WeakPolarHBondContact O-CB 3.08Å; S7-C11 PolarHBondContact O-N 3.43Å; S7-C11 PolarHBondContact O-SG 3.42Å |
| 8 | G | 91 | Very high | 85.3 | Confident | 27 Ų | 27 | 116 Ų | 116 | 28% | 0.278 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.5 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T5 N12 | T5-G8 WeakPolarHBondContact O-CA 3.38Å; T5-G8 PolarHBondContact O-N 3.12Å; G8-N12 WeakPolarHBondContact O-CB 3.32Å; G8-N12 VanDerWaalsContact O-CG 3.26Å; G8-N12 PolarHBondContact O-N 3.25Å; G8-N12 PolarHBondContact O-ND2 3.41Å |
| 9 | V | 91.4 | Very high | 85.7 | Confident | 82 Ų | 82 | 113.8 Ų | 113.8 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.2 | -43.4 | 175.6 | -178.6 | 0 | 0 | 0 | 0 | 111.2 | P4 T5 A6 N12 R13 | P4-V9 HydrophobicContact CB-CG2 3.88Å; T5-V9 PolarHBondContact O-N 3.03Å; T5-V9 VanDerWaalsContact O-N 3.09Å; A6-V9 PolarHBondContact O-N 3.18Å; V9-N12 PolarHBondContact O-N 2.81Å; V9-R13 WeakPolarHBondContact O-CB 3.49Å; V9-R13 PolarHBondContact O-N 3.23Å |
| 10 | F | 91.9 | Very high | 85.9 | Confident | 137 Ų | 137 | 112.2 Ų | 112.2 | 60% | 0.601 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.9 | -49.2 | 176.7 | 174.9 | -100.4 | 0 | 0 | 0 | 112.4 | A6 S7 N12 R13 M14 | A6-F10 PolarHBondContact O-N 3.28Å; A6-F10 VanDerWaalsContact O-N 3.08Å; S7-F10 PolarHBondContact O-N 3.48Å; F10-N12 PolarHBondContact O-N 3.03Å; F10-R13 WeakPolarHBondContact O-CB 3.48Å; F10-R13 PolarHBondContact O-N 2.92Å; F10-M14 HydrophobicContact CD1-SD 4.2Å; F10-M14 HydrophobicContact CE1-CG 4.26Å; F10-M14 HydrophobicContact CE1-SD 3.36Å; F10-M14 WeakPolarHBondContact CE1-SD 3.37Å; F10-M14 HydrophobicContact CE2-CG 4.42Å; F10-M14 HydrophobicContact CE2-SD 4.24Å; F10-M14 HydrophobicContact CZ-CG 4.11Å; F10-M14 HydrophobicContact CZ-SD 3.39Å; F10-M14 WeakPolarHBondContact CZ-SD 3.48Å; F10-M14 PolarHBondContact O-N 3.16Å |
| 11 | C | 90.9 | Very high | 86.4 | Confident | 69 Ų | 69 | 113.9 Ų | 113.9 | 47% | 0.466 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -61.5 | -42.2 | 177.4 | -69.3 | 0 | 0 | 0 | 0 | 112 | S7 R13 M14 L15 | S7-C11 WeakPolarHBondContact O-CB 3.08Å; S7-C11 PolarHBondContact O-N 3.43Å; S7-C11 PolarHBondContact O-SG 3.42Å; C11-R13 VanDerWaalsContact C-N 3.33Å; C11-R13 PolarHBondContact O-N 2.92Å; C11-M14 PolarHBondContact O-N 3.33Å; C11-L15 VanDerWaalsContact O-CG 3.32Å; C11-L15 WeakPolarHBondContact O-CG 3.32Å; C11-L15 PolarHBondContact O-N 3.37Å |
| 12 | N | 88.3 | Confident | 88.6 | Confident | 106 Ų | 106 | 106.6 Ų | 106.6 | 57% | 0.567 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.7 | -40.4 | 175.8 | -77.8 | -42.1 | 0 | 0 | 0 | 112 | G8 V9 F10 L15 S16 | G8-N12 WeakPolarHBondContact O-CB 3.32Å; G8-N12 VanDerWaalsContact O-CG 3.26Å; G8-N12 PolarHBondContact O-N 3.25Å; G8-N12 PolarHBondContact O-ND2 3.41Å; V9-N12 PolarHBondContact O-N 2.81Å; F10-N12 PolarHBondContact O-N 3.03Å; N12-L15 PolarHBondContact O-N 2.98Å; N12-S16 WeakPolarHBondContact O-CB 3.43Å; N12-S16 PolarHBondContact O-N 2.95Å; N12-S16 PolarHBondContact O-OG 3.3Å |
| 13 | R | 89.7 | Confident | 89.7 | Confident | 188 Ų | 188 | 102.7 Ų | 102.7 | 71% | 0.709 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.6 | -48 | 175 | -164.7 | 76 | 177.9 | -167.9 | 2.9 | 110.5 | V9 F10 C11 L15 S16 M17 | V9-R13 WeakPolarHBondContact O-CB 3.49Å; V9-R13 PolarHBondContact O-N 3.23Å; F10-R13 WeakPolarHBondContact O-CB 3.48Å; F10-R13 PolarHBondContact O-N 2.92Å; C11-R13 VanDerWaalsContact C-N 3.33Å; C11-R13 PolarHBondContact O-N 2.92Å; R13-L15 PolarHBondContact O-N 2.83Å; R13-S16 PolarHBondContact O-N 2.96Å; R13-S16 PolarHBondContact O-OG 3.41Å; R13-M17 WeakPolarHBondContact O-CG 3.31Å; R13-M17 PolarHBondContact O-N 2.88Å |
| 14 | M | 87.9 | Confident | 90.8 | Very high | 107 Ų | 107 | 98.6 Ų | 98.6 | 53% | 0.527 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.9 | -43.2 | 177.5 | -74.7 | -170 | 67.4 | 0 | 0 | 112.9 | F10 C11 S16 M17 | F10-M14 HydrophobicContact CD1-SD 4.2Å; F10-M14 HydrophobicContact CE1-CG 4.26Å; F10-M14 HydrophobicContact CE1-SD 3.36Å; F10-M14 WeakPolarHBondContact CE1-SD 3.37Å; F10-M14 HydrophobicContact CE2-CG 4.42Å; F10-M14 HydrophobicContact CE2-SD 4.24Å; F10-M14 HydrophobicContact CZ-CG 4.11Å; F10-M14 HydrophobicContact CZ-SD 3.39Å; F10-M14 WeakPolarHBondContact CZ-SD 3.48Å; F10-M14 PolarHBondContact O-N 3.16Å; C11-M14 PolarHBondContact O-N 3.33Å; M14-S16 VanDerWaalsContact C-N 3.29Å; M14-S16 PolarHBondContact O-N 3.12Å; M14-M17 WeakPolarHBondContact O-CB 3.27Å; M14-M17 PolarHBondContact O-N 2.95Å |
| 15 | L | 86.4 | Confident | 91.7 | Very high | 134 Ų | 134 | 96.6 Ų | 96.6 | 70% | 0.702 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66 | -32.8 | 177.7 | -69.9 | 169.7 | 0 | 0 | 0 | 112.2 | C11 N12 R13 M17 | C11-L15 VanDerWaalsContact O-CG 3.32Å; C11-L15 WeakPolarHBondContact O-CG 3.32Å; C11-L15 PolarHBondContact O-N 3.37Å; N12-L15 PolarHBondContact O-N 2.98Å; R13-L15 PolarHBondContact O-N 2.83Å; L15-M17 VanDerWaalsContact C-N 3.3Å; L15-M17 PolarHBondContact O-N 3.38Å |
| 16 | S | 87.1 | Confident | 91.9 | Very high | 81 Ų | 81 | 96.4 Ų | 96.4 | 57% | 0.566 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -77.1 | -10.8 | 177.2 | 72 | 0 | 0 | 0 | 0 | 114.6 | N12 R13 M14 V18 | N12-S16 WeakPolarHBondContact O-CB 3.43Å; N12-S16 PolarHBondContact O-N 2.95Å; N12-S16 PolarHBondContact O-OG 3.3Å; R13-S16 PolarHBondContact O-N 2.96Å; R13-S16 PolarHBondContact O-OG 3.41Å; M14-S16 VanDerWaalsContact C-N 3.29Å; M14-S16 PolarHBondContact O-N 3.12Å; S16-V18 PolarHBondContact O-N 2.92Å |
| 17 | M | 90.3 | Very high | 92.3 | Very high | 151 Ų | 151 | 95.3 Ų | 95.3 | 74% | 0.744 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -20 | 179.5 | -73.5 | 176.8 | 67 | 0 | 0 | 112.8 | R13 M14 L15 | R13-M17 WeakPolarHBondContact O-CG 3.31Å; R13-M17 PolarHBondContact O-N 2.88Å; M14-M17 WeakPolarHBondContact O-CB 3.27Å; M14-M17 PolarHBondContact O-N 2.95Å; L15-M17 VanDerWaalsContact C-N 3.3Å; L15-M17 PolarHBondContact O-N 3.38Å |
| 18 | V | 90.4 | Very high | 92.6 | Very high | 90 Ų | 90 | 98 Ų | 98 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -97.8 | 118.5 | 175.3 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | S16 S20 V23 | S16-V18 PolarHBondContact O-N 2.92Å; V18-S20 PolarHBondContact O-N 2.91Å; V18-S20 VanDerWaalsContact O-N 3.13Å; V18-V23 HydrophobicContact CG1-CG2 3.78Å |
| 19 | N | 92.2 | Very high | 93 | Very high | 75 Ų | 75 | 99.5 Ų | 99.5 | 40% | 0.401 | 54% | 0.536 | S | S | . | . | trans | -73.3 | 106.1 | 173.4 | -171.9 | -8.5 | 0 | 0 | 0 | 109.7 | E21 D22 V23 | N19-E21 PolarHBondContact O-N 3.25Å; N19-E21 VanDerWaalsContact OD1-CB 3.26Å; N19-E21 WeakPolarHBondContact OD1-CB 3.44Å; N19-E21 PolarHBondContact OD1-N 3.19Å; N19-D22 HydrophobicContact CB-CB 4.13Å; N19-D22 VanDerWaalsContact CB-OD2 3.32Å; N19-D22 WeakPolarHBondContact CB-OD2 3.43Å; N19-D22 VanDerWaalsContact ND2-CG 3.26Å; N19-D22 PolarHBondContact ND2-OD2 3.45Å; N19-D22 PolarHBondContact O-N 3.29Å; N19-V23 WeakPolarHBondContact O-CG2 3.44Å; N19-V23 PolarHBondContact O-N 3.3Å | ||
| 20 | S | 90.8 | Very high | 93.3 | Very high | 81 Ų | 81 | 101.5 Ų | 101.5 | 57% | 0.566 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65 | -26.1 | 179.5 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | V18 N24 | V18-S20 PolarHBondContact O-N 2.91Å; V18-S20 VanDerWaalsContact O-N 3.13Å; S20-N24 WeakPolarHBondContact O-CB 3.35Å; S20-N24 PolarHBondContact O-N 3.22Å; S20-N24 VanDerWaalsContact O-N 3.09Å; S20-N24 PolarHBondContact O-ND2 3.02Å |
| 21 | E | 94.9 | Very high | 93.6 | Very high | 148 Ų | 148 | 103.6 Ų | 103.6 | 69% | 0.692 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.6 | -48.8 | 176 | -170.9 | 174.2 | -174.6 | 0 | 0 | 110.9 | N19 V23 N24 A25 | N19-E21 PolarHBondContact O-N 3.25Å; N19-E21 VanDerWaalsContact OD1-CB 3.26Å; N19-E21 WeakPolarHBondContact OD1-CB 3.44Å; N19-E21 PolarHBondContact OD1-N 3.19Å; E21-V23 VanDerWaalsContact C-N 3.34Å; E21-V23 PolarHBondContact O-N 3.39Å; E21-N24 PolarHBondContact O-N 2.98Å; E21-A25 WeakPolarHBondContact O-CB 3.43Å; E21-A25 PolarHBondContact O-N 2.9Å |
| 22 | D | 95.8 | Very high | 94 | Very high | 91 Ų | 91 | 105 Ų | 105 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 178.3 | -65.2 | -27.2 | 0 | 0 | 0 | 111.5 | N19 N24 A25 I26 | N19-D22 HydrophobicContact CB-CB 4.13Å; N19-D22 VanDerWaalsContact CB-OD2 3.32Å; N19-D22 WeakPolarHBondContact CB-OD2 3.43Å; N19-D22 VanDerWaalsContact ND2-CG 3.26Å; N19-D22 PolarHBondContact ND2-OD2 3.45Å; N19-D22 PolarHBondContact O-N 3.29Å; D22-N24 VanDerWaalsContact C-N 3.35Å; D22-N24 PolarHBondContact O-N 2.9Å; D22-A25 PolarHBondContact O-N 3.39Å; D22-I26 VanDerWaalsContact O-CG1 3.29Å; D22-I26 WeakPolarHBondContact O-CG1 3.23Å; D22-I26 PolarHBondContact O-N 3.07Å |
| 23 | V | 96.1 | Very high | 94.5 | Very high | 65 Ų | 65 | 105.1 Ų | 105.1 | 39% | 0.394 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 111 | V18 N19 E21 I26 I27 | V18-V23 HydrophobicContact CG1-CG2 3.78Å; N19-V23 WeakPolarHBondContact O-CG2 3.44Å; N19-V23 PolarHBondContact O-N 3.3Å; E21-V23 VanDerWaalsContact C-N 3.34Å; E21-V23 PolarHBondContact O-N 3.39Å; V23-I26 PolarHBondContact O-N 2.83Å; V23-I27 HydrophobicContact CG1-CD1 3.97Å; V23-I27 VanDerWaalsContact O-CG1 3.29Å; V23-I27 WeakPolarHBondContact O-CG1 3.49Å; V23-I27 PolarHBondContact O-N 3.31Å |
| 24 | N | 96.9 | Very high | 94.9 | Very high | 86 Ų | 86 | 100.8 Ų | 100.8 | 46% | 0.46 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67 | -36 | 176.9 | -78.3 | -55.9 | 0 | 0 | 0 | 112.4 | S20 E21 D22 I27 Q28 | S20-N24 WeakPolarHBondContact O-CB 3.35Å; S20-N24 PolarHBondContact O-N 3.22Å; S20-N24 VanDerWaalsContact O-N 3.09Å; S20-N24 PolarHBondContact O-ND2 3.02Å; E21-N24 PolarHBondContact O-N 2.98Å; D22-N24 VanDerWaalsContact C-N 3.35Å; D22-N24 PolarHBondContact O-N 2.9Å; N24-I27 PolarHBondContact O-N 2.88Å; N24-Q28 WeakPolarHBondContact O-CG 3.4Å; N24-Q28 PolarHBondContact O-N 2.93Å |
| 25 | A | 98.1 | Very high | 95.4 | Very high | 53 Ų | 53 | 98.4 Ų | 98.4 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E21 D22 Q28 A29 | E21-A25 WeakPolarHBondContact O-CB 3.43Å; E21-A25 PolarHBondContact O-N 2.9Å; D22-A25 PolarHBondContact O-N 3.39Å; A25-Q28 PolarHBondContact O-N 3.48Å; A25-A29 WeakPolarHBondContact O-CB 3.44Å; A25-A29 PolarHBondContact O-N 3.31Å |
| 26 | I | 98.1 | Very high | 96 | Very high | 95 Ų | 95 | 99.4 Ų | 99.4 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 174.3 | -68.6 | 164.9 | 0 | 0 | 0 | 110.7 | D22 V23 Q28 A29 Q30 | D22-I26 VanDerWaalsContact O-CG1 3.29Å; D22-I26 WeakPolarHBondContact O-CG1 3.23Å; D22-I26 PolarHBondContact O-N 3.07Å; V23-I26 PolarHBondContact O-N 2.83Å; I26-Q28 VanDerWaalsContact C-N 3.31Å; I26-Q28 PolarHBondContact O-N 2.89Å; I26-A29 PolarHBondContact O-N 3.24Å; I26-Q30 HydrophobicContact CG2-CG 4.37Å; I26-Q30 WeakPolarHBondContact O-CB 3.27Å; I26-Q30 WeakPolarHBondContact O-CG 3.41Å; I26-Q30 PolarHBondContact O-N 2.95Å |
| 27 | I | 98.2 | Very high | 96.6 | Very high | 61 Ų | 61 | 101.7 Ų | 101.7 | 31% | 0.313 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 178.7 | -69 | 165.4 | 0 | 0 | 0 | 110.7 | V23 N24 Q30 R31 | V23-I27 HydrophobicContact CG1-CD1 3.97Å; V23-I27 VanDerWaalsContact O-CG1 3.29Å; V23-I27 WeakPolarHBondContact O-CG1 3.49Å; V23-I27 PolarHBondContact O-N 3.31Å; N24-I27 PolarHBondContact O-N 2.88Å; I27-Q30 PolarHBondContact O-N 3.14Å; I27-R31 WeakPolarHBondContact O-CG 3.41Å; I27-R31 PolarHBondContact O-N 3.4Å |
| 28 | Q | 98.6 | Very high | 97 | Very high | 132 Ų | 132 | 100 Ų | 100 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.7 | -43.9 | 177.6 | -73.9 | 179 | 57.1 | 0 | 0 | 112 | N24 A25 I26 Q30 R31 H32 | N24-Q28 WeakPolarHBondContact O-CG 3.4Å; N24-Q28 PolarHBondContact O-N 2.93Å; A25-Q28 PolarHBondContact O-N 3.48Å; I26-Q28 VanDerWaalsContact C-N 3.31Å; I26-Q28 PolarHBondContact O-N 2.89Å; Q28-Q30 VanDerWaalsContact C-N 3.34Å; Q28-Q30 PolarHBondContact O-N 2.97Å; Q28-R31 PolarHBondContact O-N 3.5Å; Q28-H32 WeakPolarHBondContact O-CB 3.49Å; Q28-H32 PolarHBondContact O-N 3.25Å |
| 29 | A | 98.6 | Very high | 97.4 | Very high | 58 Ų | 58 | 100.8 Ų | 100.8 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A25 I26 H32 M33 | A25-A29 WeakPolarHBondContact O-CB 3.44Å; A25-A29 PolarHBondContact O-N 3.31Å; I26-A29 PolarHBondContact O-N 3.24Å; A29-H32 PolarHBondContact O-N 2.99Å; A29-M33 WeakPolarHBondContact O-CB 3.45Å; A29-M33 PolarHBondContact O-N 3.34Å |
| 30 | Q | 98.7 | Very high | 97.7 | Very high | 124 Ų | 124 | 100.4 Ų | 100.4 | 58% | 0.579 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 177 | -73.3 | 176.5 | -19.9 | 0 | 0 | 112.2 | I26 I27 Q28 M33 L34 | I26-Q30 HydrophobicContact CG2-CG 4.37Å; I26-Q30 WeakPolarHBondContact O-CB 3.27Å; I26-Q30 WeakPolarHBondContact O-CG 3.41Å; I26-Q30 PolarHBondContact O-N 2.95Å; I27-Q30 PolarHBondContact O-N 3.14Å; Q28-Q30 VanDerWaalsContact C-N 3.34Å; Q28-Q30 PolarHBondContact O-N 2.97Å; Q30-M33 PolarHBondContact O-N 3.07Å; Q30-L34 WeakPolarHBondContact O-CB 3.39Å; Q30-L34 PolarHBondContact O-N 3.32Å |
| 31 | R | 98.6 | Very high | 98 | Very high | 180 Ų | 180 | 101 Ų | 101 | 68% | 0.679 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.4 | -42.9 | 175.5 | -74.8 | 176.4 | 177.7 | -176.3 | 0.1 | 112 | I27 Q28 M33 L34 D35 | I27-R31 WeakPolarHBondContact O-CG 3.41Å; I27-R31 PolarHBondContact O-N 3.4Å; Q28-R31 PolarHBondContact O-N 3.5Å; R31-M33 VanDerWaalsContact C-N 3.31Å; R31-M33 PolarHBondContact O-N 3.25Å; R31-L34 PolarHBondContact O-N 3.12Å; R31-D35 PolarHBondContact O-N 3.41Å |
| 32 | H | 98.5 | Very high | 98.2 | Very high | 99 Ų | 99 | 100.6 Ų | 100.6 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 176.9 | -173.8 | 60.2 | 0 | 0 | 0 | 112 | Q28 A29 R36 | Q28-H32 WeakPolarHBondContact O-CB 3.49Å; Q28-H32 PolarHBondContact O-N 3.25Å; A29-H32 PolarHBondContact O-N 2.99Å; H32-R36 PolarHBondContact NE2-NE 3.4Å; H32-R36 VanDerWaalsContact NE2-NE 3.15Å; H32-R36 WeakPolarHBondContact O-CG 3.48Å; H32-R36 PolarHBondContact O-N 2.87Å; H32-R36 VanDerWaalsContact O-N 3.14Å |
| 33 | M | 98.8 | Very high | 98.4 | Very high | 108 Ų | 108 | 102.3 Ų | 102.3 | 53% | 0.532 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 176 | -168.1 | -174.4 | -70 | 0 | 0 | 111.7 | A29 Q30 R31 R36 F37 | A29-M33 WeakPolarHBondContact O-CB 3.45Å; A29-M33 PolarHBondContact O-N 3.34Å; Q30-M33 PolarHBondContact O-N 3.07Å; R31-M33 VanDerWaalsContact C-N 3.31Å; R31-M33 PolarHBondContact O-N 3.25Å; M33-R36 PolarHBondContact O-N 3.25Å; M33-F37 HydrophobicContact CB-CE2 4.49Å; M33-F37 HydrophobicContact CG-CD2 3.88Å; M33-F37 HydrophobicContact CG-CE2 3.3Å; M33-F37 HydrophobicContact CG-CZ 3.78Å; M33-F37 WeakPolarHBondContact O-CD2 3.27Å; M33-F37 WeakPolarHBondContact O-CG 3.12Å; M33-F37 PolarHBondContact O-N 2.72Å; M33-F37 HydrophobicContact SD-CE2 3.56Å; M33-F37 VanDerWaalsContact SD-CE2 3.56Å; M33-F37 HydrophobicContact SD-CZ 3.91Å |
| 34 | L | 98.8 | Very high | 98.5 | Very high | 97 Ų | 97 | 103.5 Ų | 103.5 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 176.6 | -177.7 | 61.7 | 0 | 0 | 0 | 111.8 | Q30 R31 R36 F37 E38 | Q30-L34 WeakPolarHBondContact O-CB 3.39Å; Q30-L34 PolarHBondContact O-N 3.32Å; R31-L34 PolarHBondContact O-N 3.12Å; L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 PolarHBondContact O-N 3.3Å; L34-F37 PolarHBondContact O-N 2.88Å; L34-E38 HydrophobicContact CD1-CG 4.33Å; L34-E38 WeakPolarHBondContact O-CG 3.3Å; L34-E38 PolarHBondContact O-N 2.54Å |
| 35 | D | 98.6 | Very high | 98.6 | Very high | 57 Ų | 57 | 104.6 Ų | 104.6 | 31% | 0.305 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.4 | -40.8 | 176.4 | 170.9 | 76.2 | 0 | 0 | 0 | 112 | R31 K39 | R31-D35 PolarHBondContact O-N 3.41Å; D35-K39 WeakPolarHBondContact O-CB 3.48Å; D35-K39 WeakPolarHBondContact O-CG 3.49Å; D35-K39 PolarHBondContact O-N 2.94Å; D35-K39 WeakPolarHBondContact OD1-CE 3.37Å; D35-K39 IonicContact OD1-NZ 2.72Å; D35-K39 PolarHBondContact OD1-NZ 3.49Å; D35-K39 IonicContact OD2-NZ 2.88Å; D35-K39 PolarHBondContact OD2-NZ 3.5Å |
| 36 | R | 98.7 | Very high | 98.6 | Very high | 156 Ų | 156 | 106.8 Ų | 106.8 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | 175.3 | -76.5 | -170.2 | 167 | -166.9 | -1.6 | 112.9 | H32 M33 L34 T40 | H32-R36 PolarHBondContact NE2-NE 3.4Å; H32-R36 VanDerWaalsContact NE2-NE 3.15Å; H32-R36 WeakPolarHBondContact O-CG 3.48Å; H32-R36 PolarHBondContact O-N 2.87Å; H32-R36 VanDerWaalsContact O-N 3.14Å; M33-R36 PolarHBondContact O-N 3.25Å; L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 PolarHBondContact O-N 3.3Å; R36-T40 WeakPolarHBondContact O-CB 3.45Å; R36-T40 PolarHBondContact O-N 3.02Å; R36-T40 PolarHBondContact O-OG1 3.28Å |
| 37 | F | 98.7 | Very high | 98.6 | Very high | 129 Ų | 129 | 108.4 Ų | 108.4 | 57% | 0.566 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 176.7 | -72.6 | -46.2 | 0 | 0 | 0 | 111.6 | M33 L34 T40 N41 | M33-F37 HydrophobicContact CB-CE2 4.49Å; M33-F37 HydrophobicContact CG-CD2 3.88Å; M33-F37 HydrophobicContact CG-CE2 3.3Å; M33-F37 HydrophobicContact CG-CZ 3.78Å; M33-F37 WeakPolarHBondContact O-CD2 3.27Å; M33-F37 WeakPolarHBondContact O-CG 3.12Å; M33-F37 PolarHBondContact O-N 2.72Å; M33-F37 HydrophobicContact SD-CE2 3.56Å; M33-F37 VanDerWaalsContact SD-CE2 3.56Å; M33-F37 HydrophobicContact SD-CZ 3.91Å; L34-F37 PolarHBondContact O-N 2.88Å; F37-T40 PolarHBondContact O-N 2.94Å; F37-N41 VanDerWaalsContact O-CB 3.29Å; F37-N41 WeakPolarHBondContact O-CB 3.48Å; F37-N41 PolarHBondContact O-N 3.35Å |
| 38 | E | 98.7 | Very high | 98.7 | Very high | 115 Ų | 115 | 110.2 Ų | 110.2 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 179 | -71.7 | 175.6 | 158.9 | 0 | 0 | 111.3 | L34 T40 N41 E42 | L34-E38 HydrophobicContact CD1-CG 4.33Å; L34-E38 WeakPolarHBondContact O-CG 3.3Å; L34-E38 PolarHBondContact O-N 2.54Å; E38-T40 VanDerWaalsContact C-N 3.35Å; E38-T40 PolarHBondContact O-N 3Å; E38-N41 PolarHBondContact O-N 2.95Å; E38-E42 PolarHBondContact O-N 2.84Å |
| 39 | K | 98.7 | Very high | 98.7 | Very high | 107 Ų | 107 | 105.7 Ų | 105.7 | 47% | 0.465 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 176.6 | -73.6 | 170.5 | 179.4 | 161.7 | 0 | 112.8 | D35 N41 E42 M43 | D35-K39 WeakPolarHBondContact O-CB 3.48Å; D35-K39 WeakPolarHBondContact O-CG 3.49Å; D35-K39 PolarHBondContact O-N 2.94Å; D35-K39 WeakPolarHBondContact OD1-CE 3.37Å; D35-K39 IonicContact OD1-NZ 2.72Å; D35-K39 PolarHBondContact OD1-NZ 3.49Å; D35-K39 IonicContact OD2-NZ 2.88Å; D35-K39 PolarHBondContact OD2-NZ 3.5Å; K39-N41 VanDerWaalsContact C-N 3.33Å; K39-E42 PolarHBondContact O-N 2.94Å; K39-M43 WeakPolarHBondContact O-CG 3.3Å; K39-M43 PolarHBondContact O-N 3.41Å |
| 40 | T | 98.5 | Very high | 98.7 | Very high | 67 Ų | 67 | 108.3 Ų | 108.3 | 41% | 0.411 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 178.8 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | R36 F37 E38 M43 L44 | R36-T40 WeakPolarHBondContact O-CB 3.45Å; R36-T40 PolarHBondContact O-N 3.02Å; R36-T40 PolarHBondContact O-OG1 3.28Å; F37-T40 PolarHBondContact O-N 2.94Å; E38-T40 VanDerWaalsContact C-N 3.35Å; E38-T40 PolarHBondContact O-N 3Å; T40-M43 PolarHBondContact O-N 3.37Å; T40-L44 HydrophobicContact CG2-CD1 4.27Å; T40-L44 VanDerWaalsContact O-CG 3.32Å; T40-L44 WeakPolarHBondContact O-CG 3.4Å; T40-L44 PolarHBondContact O-N 2.92Å |
| 41 | N | 98.7 | Very high | 98.7 | Very high | 94 Ų | 94 | 105.2 Ų | 105.2 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 178.8 | -163.9 | 45.3 | 0 | 0 | 0 | 111.6 | F37 E38 K39 L44 I45 | F37-N41 VanDerWaalsContact O-CB 3.29Å; F37-N41 WeakPolarHBondContact O-CB 3.48Å; F37-N41 PolarHBondContact O-N 3.35Å; E38-N41 PolarHBondContact O-N 2.95Å; K39-N41 VanDerWaalsContact C-N 3.33Å; N41-L44 PolarHBondContact O-N 3.43Å; N41-I45 VanDerWaalsContact O-CG1 3.26Å; N41-I45 WeakPolarHBondContact O-CG1 3.33Å; N41-I45 PolarHBondContact O-N 3.47Å |
| 42 | E | 98.7 | Very high | 98.7 | Very high | 139 Ų | 139 | 100.3 Ų | 100.3 | 65% | 0.65 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.1 | -45.8 | 174.4 | -171 | -179 | -179.5 | 0 | 0 | 111.8 | E38 K39 L44 I45 N46 | E38-E42 PolarHBondContact O-N 2.84Å; K39-E42 PolarHBondContact O-N 2.94Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 3.16Å; E42-I45 PolarHBondContact O-N 2.97Å; E42-N46 WeakPolarHBondContact O-CB 3.41Å; E42-N46 PolarHBondContact O-N 3.41Å |
| 43 | M | 98.7 | Very high | 98.7 | Very high | 126 Ų | 126 | 99 Ų | 99 | 62% | 0.621 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.8 | -40 | 175 | -74.2 | -169.1 | -67.3 | 0 | 0 | 112.1 | K39 T40 N46 F47 | K39-M43 WeakPolarHBondContact O-CG 3.3Å; K39-M43 PolarHBondContact O-N 3.41Å; T40-M43 PolarHBondContact O-N 3.37Å; M43-N46 PolarHBondContact O-N 3.04Å; M43-F47 VanDerWaalsContact O-CB 3.3Å; M43-F47 WeakPolarHBondContact O-CB 3.36Å; M43-F47 PolarHBondContact O-N 2.94Å |
| 44 | L | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 102 Ų | 102 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 176.9 | -74.3 | 172.8 | 0 | 0 | 0 | 112.3 | T40 N41 E42 N46 F47 N48 | T40-L44 HydrophobicContact CG2-CD1 4.27Å; T40-L44 VanDerWaalsContact O-CG 3.32Å; T40-L44 WeakPolarHBondContact O-CG 3.4Å; T40-L44 PolarHBondContact O-N 2.92Å; N41-L44 PolarHBondContact O-N 3.43Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 3.16Å; L44-N46 VanDerWaalsContact C-N 3.33Å; L44-F47 PolarHBondContact O-N 2.9Å; L44-N48 WeakPolarHBondContact O-CB 3.27Å; L44-N48 VanDerWaalsContact O-CG 3.22Å; L44-N48 PolarHBondContact O-N 3Å; L44-N48 PolarHBondContact O-ND2 3.07Å |
| 45 | I | 98.7 | Very high | 98.6 | Very high | 109 Ų | 109 | 102 Ų | 102 | 56% | 0.559 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.8 | -46.5 | 175.7 | -71.7 | 164.7 | 0 | 0 | 0 | 109.9 | N41 E42 N48 G49 | N41-I45 VanDerWaalsContact O-CG1 3.26Å; N41-I45 WeakPolarHBondContact O-CG1 3.33Å; N41-I45 PolarHBondContact O-N 3.47Å; E42-I45 PolarHBondContact O-N 2.97Å; I45-N48 PolarHBondContact O-N 3.21Å; I45-G49 PolarHBondContact O-N 2.71Å |
| 46 | N | 98.7 | Very high | 98.6 | Very high | 100 Ų | 100 | 104 Ų | 104 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 177.9 | -171.9 | -84.4 | 0 | 0 | 0 | 111.6 | E42 M43 L44 N48 G49 L50 | E42-N46 WeakPolarHBondContact O-CB 3.41Å; E42-N46 PolarHBondContact O-N 3.41Å; M43-N46 PolarHBondContact O-N 3.04Å; L44-N46 VanDerWaalsContact C-N 3.33Å; N46-N48 PolarHBondContact O-N 3.34Å; N46-G49 PolarHBondContact O-N 3.03Å; N46-G49 VanDerWaalsContact O-N 3.15Å; N46-L50 WeakPolarHBondContact O-CG 3.18Å; N46-L50 PolarHBondContact O-N 3.31Å; N46-L50 WeakPolarHBondContact OD1-CD1 3.32Å |
| 47 | F | 98.7 | Very high | 98.6 | Very high | 128 Ų | 128 | 100.7 Ų | 100.7 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.3 | -46.8 | 177.5 | 178.4 | -96 | 0 | 0 | 0 | 112 | M43 L44 G49 L50 S51 | M43-F47 VanDerWaalsContact O-CB 3.3Å; M43-F47 WeakPolarHBondContact O-CB 3.36Å; M43-F47 PolarHBondContact O-N 2.94Å; L44-F47 PolarHBondContact O-N 2.9Å; F47-G49 VanDerWaalsContact C-N 3.3Å; F47-G49 PolarHBondContact O-N 3.04Å; F47-L50 PolarHBondContact O-N 3.45Å; F47-S51 WeakPolarHBondContact O-CB 3.44Å; F47-S51 PolarHBondContact O-N 3.49Å |
| 48 | N | 98.6 | Very high | 98.6 | Very high | 99 Ų | 99 | 100.3 Ų | 100.3 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 177.5 | -74.2 | -20.6 | 0 | 0 | 0 | 111.4 | L44 I45 N46 N52 | L44-N48 WeakPolarHBondContact O-CB 3.27Å; L44-N48 VanDerWaalsContact O-CG 3.22Å; L44-N48 PolarHBondContact O-N 3Å; L44-N48 PolarHBondContact O-ND2 3.07Å; I45-N48 PolarHBondContact O-N 3.21Å; N46-N48 PolarHBondContact O-N 3.34Å; N48-N52 WeakPolarHBondContact O-CB 3.39Å; N48-N52 PolarHBondContact O-N 3.46Å |
| 49 | G | 98.6 | Very high | 98.6 | Very high | 38 Ų | 38 | 98.8 Ų | 98.8 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -51.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I45 N46 F47 N52 V53 | I45-G49 PolarHBondContact O-N 2.71Å; N46-G49 PolarHBondContact O-N 3.03Å; N46-G49 VanDerWaalsContact O-N 3.15Å; F47-G49 VanDerWaalsContact C-N 3.3Å; F47-G49 PolarHBondContact O-N 3.04Å; G49-N52 PolarHBondContact O-N 3.08Å; G49-V53 WeakPolarHBondContact O-CG2 3.48Å; G49-V53 PolarHBondContact O-N 3.33Å |
| 50 | L | 98.6 | Very high | 98.6 | Very high | 112 Ų | 112 | 100 Ų | 100 | 59% | 0.586 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.1 | -45.6 | 179.8 | -68.3 | 177 | 0 | 0 | 0 | 112.2 | N46 F47 N52 V53 R54 | N46-L50 WeakPolarHBondContact O-CG 3.18Å; N46-L50 PolarHBondContact O-N 3.31Å; N46-L50 WeakPolarHBondContact OD1-CD1 3.32Å; F47-L50 PolarHBondContact O-N 3.45Å; L50-N52 VanDerWaalsContact C-N 3.34Å; L50-N52 PolarHBondContact O-N 2.93Å; L50-V53 PolarHBondContact O-N 3.25Å; L50-R54 PolarHBondContact O-N 3.06Å |
| 51 | S | 98.6 | Very high | 98.6 | Very high | 60 Ų | 60 | 104.7 Ų | 104.7 | 42% | 0.42 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 178.1 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | F47 R54 L55 | F47-S51 WeakPolarHBondContact O-CB 3.44Å; F47-S51 PolarHBondContact O-N 3.49Å; S51-R54 PolarHBondContact O-N 3.24Å; S51-L55 WeakPolarHBondContact O-CB 3.22Å; S51-L55 PolarHBondContact O-N 2.92Å |
| 52 | N | 98.7 | Very high | 98.6 | Very high | 77 Ų | 77 | 106.5 Ų | 106.5 | 41% | 0.412 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 177.1 | -177.9 | 64.1 | 0 | 0 | 0 | 112.3 | N48 G49 L50 R54 L55 Q56 | N48-N52 WeakPolarHBondContact O-CB 3.39Å; N48-N52 PolarHBondContact O-N 3.46Å; G49-N52 PolarHBondContact O-N 3.08Å; L50-N52 VanDerWaalsContact C-N 3.34Å; L50-N52 PolarHBondContact O-N 2.93Å; N52-R54 VanDerWaalsContact C-N 3.33Å; N52-R54 PolarHBondContact O-N 3.39Å; N52-L55 PolarHBondContact O-N 3.33Å; N52-Q56 PolarHBondContact ND2-NE2 3.2Å; N52-Q56 VanDerWaalsContact ND2-NE2 3.2Å; N52-Q56 WeakPolarHBondContact O-CG 3.42Å; N52-Q56 PolarHBondContact O-N 3.46Å |
| 53 | V | 98.6 | Very high | 98.6 | Very high | 71 Ų | 71 | 104.3 Ų | 104.3 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 175.3 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | G49 L50 L55 Q56 Q57 | G49-V53 WeakPolarHBondContact O-CG2 3.48Å; G49-V53 PolarHBondContact O-N 3.33Å; L50-V53 PolarHBondContact O-N 3.25Å; V53-L55 VanDerWaalsContact C-N 3.34Å; V53-L55 PolarHBondContact O-N 3.46Å; V53-Q56 PolarHBondContact O-N 3.08Å; V53-Q57 WeakPolarHBondContact O-CG 3.29Å; V53-Q57 PolarHBondContact O-N 2.87Å |
| 54 | R | 98.5 | Very high | 98.6 | Very high | 171 Ų | 171 | 102.9 Ų | 102.9 | 65% | 0.645 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 179.2 | -171.7 | 60 | 172.7 | -178.6 | -3.2 | 112 | L50 S51 N52 M58 | L50-R54 PolarHBondContact O-N 3.06Å; S51-R54 PolarHBondContact O-N 3.24Å; N52-R54 VanDerWaalsContact C-N 3.33Å; N52-R54 PolarHBondContact O-N 3.39Å; R54-M58 PolarHBondContact O-N 3.33Å; R54-M58 VanDerWaalsContact O-N 3.08Å |
| 55 | L | 98.6 | Very high | 98.6 | Very high | 98 Ų | 98 | 104.3 Ų | 104.3 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 176 | 179.1 | 62.4 | 0 | 0 | 0 | 111.5 | S51 N52 V53 Q57 M58 N59 | S51-L55 WeakPolarHBondContact O-CB 3.22Å; S51-L55 PolarHBondContact O-N 2.92Å; N52-L55 PolarHBondContact O-N 3.33Å; V53-L55 VanDerWaalsContact C-N 3.34Å; V53-L55 PolarHBondContact O-N 3.46Å; L55-Q57 PolarHBondContact O-N 3.08Å; L55-M58 HydrophobicContact CD1-CE 4.15Å; L55-M58 PolarHBondContact O-N 2.91Å; L55-N59 VanDerWaalsContact O-CB 3.27Å; L55-N59 WeakPolarHBondContact O-CB 3.3Å; L55-N59 PolarHBondContact O-N 2.9Å |
| 56 | Q | 98.7 | Very high | 98.6 | Very high | 99 Ų | 99 | 101.9 Ų | 101.9 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 178.3 | -74.4 | 177.6 | -5 | 0 | 0 | 111.5 | N52 V53 M58 N59 E60 | N52-Q56 PolarHBondContact ND2-NE2 3.2Å; N52-Q56 VanDerWaalsContact ND2-NE2 3.2Å; N52-Q56 WeakPolarHBondContact O-CG 3.42Å; N52-Q56 PolarHBondContact O-N 3.46Å; V53-Q56 PolarHBondContact O-N 3.08Å; Q56-M58 VanDerWaalsContact C-N 3.34Å; Q56-M58 PolarHBondContact O-N 3.31Å; Q56-N59 PolarHBondContact O-N 3.28Å; Q56-E60 WeakPolarHBondContact O-CG 3.33Å; Q56-E60 PolarHBondContact O-N 3.26Å |
| 57 | Q | 98.4 | Very high | 98.6 | Very high | 85 Ų | 85 | 104.9 Ų | 104.9 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 177.2 | -71.4 | 175.1 | -3.9 | 0 | 0 | 112.6 | V53 L55 R61 | V53-Q57 WeakPolarHBondContact O-CG 3.29Å; V53-Q57 PolarHBondContact O-N 2.87Å; L55-Q57 PolarHBondContact O-N 3.08Å; Q57-R61 WeakPolarHBondContact O-CG 3.19Å; Q57-R61 PolarHBondContact O-N 3.15Å |
| 58 | M | 98.6 | Very high | 98.6 | Very high | 121 Ų | 121 | 101.9 Ų | 101.9 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.9 | -42 | 178.8 | -174.8 | 175 | 65.7 | 0 | 0 | 111.4 | R54 L55 Q56 R61 F62 | R54-M58 PolarHBondContact O-N 3.33Å; R54-M58 VanDerWaalsContact O-N 3.08Å; L55-M58 HydrophobicContact CD1-CE 4.15Å; L55-M58 PolarHBondContact O-N 2.91Å; Q56-M58 VanDerWaalsContact C-N 3.34Å; Q56-M58 PolarHBondContact O-N 3.31Å; M58-R61 PolarHBondContact O-N 3.45Å; M58-F62 WeakPolarHBondContact O-CB 3.26Å; M58-F62 PolarHBondContact O-N 2.98Å |
| 59 | N | 98.6 | Very high | 98.6 | Very high | 84 Ų | 84 | 102.8 Ų | 102.8 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 178.6 | -174.4 | 54.4 | 0 | 0 | 0 | 111.9 | L55 Q56 R61 F62 L63 | L55-N59 VanDerWaalsContact O-CB 3.27Å; L55-N59 WeakPolarHBondContact O-CB 3.3Å; L55-N59 PolarHBondContact O-N 2.9Å; Q56-N59 PolarHBondContact O-N 3.28Å; N59-R61 PolarHBondContact O-N 3.34Å; N59-F62 PolarHBondContact O-N 2.89Å; N59-L63 VanDerWaalsContact O-CG 3.3Å; N59-L63 WeakPolarHBondContact O-CG 3.48Å; N59-L63 PolarHBondContact O-N 2.83Å |
| 60 | E | 98.6 | Very high | 98.6 | Very high | 133 Ų | 133 | 104.3 Ų | 104.3 | 62% | 0.621 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.9 | -46.1 | 175 | -75.5 | 176.9 | 179.4 | 0 | 0 | 112.1 | Q56 L63 L64 | Q56-E60 WeakPolarHBondContact O-CG 3.33Å; Q56-E60 PolarHBondContact O-N 3.26Å; E60-L63 PolarHBondContact O-N 3.41Å; E60-L64 WeakPolarHBondContact O-CB 3.42Å; E60-L64 PolarHBondContact O-N 2.98Å |
| 61 | R | 98.4 | Very high | 98.7 | Very high | 165 Ų | 165 | 102 Ų | 102 | 62% | 0.623 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 176.6 | -68.9 | -175.7 | -174.4 | -171.9 | 1.5 | 112 | Q57 M58 N59 L64 H65 | Q57-R61 WeakPolarHBondContact O-CG 3.19Å; Q57-R61 PolarHBondContact O-N 3.15Å; M58-R61 PolarHBondContact O-N 3.45Å; N59-R61 PolarHBondContact O-N 3.34Å; R61-L64 WeakPolarHBondContact O-CB 3.49Å; R61-L64 PolarHBondContact O-N 3.39Å; R61-H65 PolarHBondContact O-CD2 3.05Å; R61-H65 VanDerWaalsContact O-CD2 3.26Å; R61-H65 PolarHBondContact O-N 2.92Å |
| 62 | F | 98.7 | Very high | 98.7 | Very high | 131 Ų | 131 | 104.4 Ų | 104.4 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.6 | -50.4 | 176.8 | -179.5 | -98.3 | 0 | 0 | 0 | 111 | M58 N59 L64 H65 T66 | M58-F62 WeakPolarHBondContact O-CB 3.26Å; M58-F62 PolarHBondContact O-N 2.98Å; N59-F62 PolarHBondContact O-N 2.89Å; F62-L64 VanDerWaalsContact C-N 3.3Å; F62-L64 PolarHBondContact O-N 2.95Å; F62-H65 PolarHBondContact O-N 3.46Å; F62-H65 VanDerWaalsContact O-N 3.16Å; F62-T66 PolarHBondContact O-N 2.88Å; F62-T66 PolarHBondContact O-OG1 3.3Å; F62-T66 VanDerWaalsContact O-OG1 3.08Å |
| 63 | L | 98.7 | Very high | 98.6 | Very high | 93 Ų | 93 | 106.7 Ų | 106.7 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60 | -39.5 | 177.5 | -69.9 | 174.4 | 0 | 0 | 0 | 112.5 | N59 E60 R67 | N59-L63 VanDerWaalsContact O-CG 3.3Å; N59-L63 WeakPolarHBondContact O-CG 3.48Å; N59-L63 PolarHBondContact O-N 2.83Å; E60-L63 PolarHBondContact O-N 3.41Å; L63-R67 WeakPolarHBondContact O-CB 3.32Å; L63-R67 PolarHBondContact O-N 3.48Å |
| 64 | L | 98.8 | Very high | 98.6 | Very high | 97 Ų | 97 | 108.7 Ų | 108.7 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 175.4 | 179.5 | 64.8 | 0 | 0 | 0 | 111.8 | E60 R61 F62 R67 T68 | E60-L64 WeakPolarHBondContact O-CB 3.42Å; E60-L64 PolarHBondContact O-N 2.98Å; R61-L64 WeakPolarHBondContact O-CB 3.49Å; R61-L64 PolarHBondContact O-N 3.39Å; F62-L64 VanDerWaalsContact C-N 3.3Å; F62-L64 PolarHBondContact O-N 2.95Å; L64-R67 PolarHBondContact O-N 3.22Å; L64-T68 PolarHBondContact O-N 3.43Å; L64-T68 PolarHBondContact O-OG1 3.23Å |
| 65 | H | 98.8 | Very high | 98.6 | Very high | 119 Ų | 119 | 105.4 Ų | 105.4 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.4 | -44.8 | 177.5 | -68.2 | -34.4 | 0 | 0 | 0 | 111.7 | R61 F62 R67 T68 L69 | R61-H65 PolarHBondContact O-CD2 3.05Å; R61-H65 VanDerWaalsContact O-CD2 3.26Å; R61-H65 PolarHBondContact O-N 2.92Å; F62-H65 PolarHBondContact O-N 3.46Å; F62-H65 VanDerWaalsContact O-N 3.16Å; H65-R67 VanDerWaalsContact C-N 3.33Å; H65-R67 PolarHBondContact O-N 3.41Å; H65-T68 WeakPolarHBondContact O-CB 3.47Å; H65-T68 PolarHBondContact O-N 3.33Å; H65-L69 WeakPolarHBondContact O-CG 3.43Å; H65-L69 PolarHBondContact O-N 2.93Å |
| 66 | T | 98.8 | Very high | 98.6 | Very high | 58 Ų | 58 | 105 Ų | 105 | 36% | 0.356 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 175.3 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | F62 T68 L69 V70 | F62-T66 PolarHBondContact O-N 2.88Å; F62-T66 PolarHBondContact O-OG1 3.3Å; F62-T66 VanDerWaalsContact O-OG1 3.08Å; T66-T68 VanDerWaalsContact C-N 3.35Å; T66-T68 PolarHBondContact O-N 2.88Å; T66-L69 PolarHBondContact O-N 3.38Å; T66-V70 WeakPolarHBondContact O-CG2 3.36Å; T66-V70 PolarHBondContact O-N 3.26Å |
| 67 | R | 98.8 | Very high | 98.6 | Very high | 164 Ų | 164 | 103.6 Ų | 103.6 | 62% | 0.619 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.2 | -45.6 | 176 | -175.6 | -178 | -59.7 | 176.9 | 2.6 | 111.7 | L63 L64 H65 L69 V70 D71 | L63-R67 WeakPolarHBondContact O-CB 3.32Å; L63-R67 PolarHBondContact O-N 3.48Å; L64-R67 PolarHBondContact O-N 3.22Å; H65-R67 VanDerWaalsContact C-N 3.33Å; H65-R67 PolarHBondContact O-N 3.41Å; R67-L69 VanDerWaalsContact C-N 3.32Å; R67-L69 PolarHBondContact O-N 3.43Å; R67-V70 WeakPolarHBondContact O-CB 3.12Å; R67-V70 PolarHBondContact O-N 2.9Å; R67-V70 VanDerWaalsContact O-N 3.14Å; R67-D71 PolarHBondContact O-N 3.28Å |
| 68 | T | 98.8 | Very high | 98.6 | Very high | 65 Ų | 65 | 103.1 Ų | 103.1 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.6 | -45 | 178.9 | -55.6 | 0 | 0 | 0 | 0 | 111 | L64 H65 T66 V70 D71 M72 | L64-T68 PolarHBondContact O-N 3.43Å; L64-T68 PolarHBondContact O-OG1 3.23Å; H65-T68 WeakPolarHBondContact O-CB 3.47Å; H65-T68 PolarHBondContact O-N 3.33Å; T66-T68 VanDerWaalsContact C-N 3.35Å; T66-T68 PolarHBondContact O-N 2.88Å; T68-V70 VanDerWaalsContact C-N 3.35Å; T68-V70 PolarHBondContact O-N 3.27Å; T68-D71 PolarHBondContact O-N 3.41Å; T68-M72 HydrophobicContact CG2-CG 4.49Å; T68-M72 HydrophobicContact CG2-SD 4.15Å; T68-M72 VanDerWaalsContact O-CG 3.3Å; T68-M72 WeakPolarHBondContact O-CG 3.39Å; T68-M72 PolarHBondContact O-N 3.37Å |
| 69 | L | 98.8 | Very high | 98.6 | Very high | 117 Ų | 117 | 101.6 Ų | 101.6 | 61% | 0.613 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.2 | -40.9 | 176.4 | -69.5 | 173.4 | 0 | 0 | 0 | 112.5 | H65 T66 R67 D71 M72 K73 | H65-L69 WeakPolarHBondContact O-CG 3.43Å; H65-L69 PolarHBondContact O-N 2.93Å; T66-L69 PolarHBondContact O-N 3.38Å; R67-L69 VanDerWaalsContact C-N 3.32Å; R67-L69 PolarHBondContact O-N 3.43Å; L69-D71 VanDerWaalsContact C-N 3.33Å; L69-D71 PolarHBondContact O-N 3.01Å; L69-M72 PolarHBondContact O-N 2.9Å; L69-K73 WeakPolarHBondContact O-CB 3.29Å; L69-K73 PolarHBondContact O-N 3.05Å |
| 70 | V | 98.6 | Very high | 98.6 | Very high | 70 Ų | 70 | 102.6 Ų | 102.6 | 42% | 0.424 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 176.3 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | T66 R67 T68 K73 K74 | T66-V70 WeakPolarHBondContact O-CG2 3.36Å; T66-V70 PolarHBondContact O-N 3.26Å; R67-V70 WeakPolarHBondContact O-CB 3.12Å; R67-V70 PolarHBondContact O-N 2.9Å; R67-V70 VanDerWaalsContact O-N 3.14Å; T68-V70 VanDerWaalsContact C-N 3.35Å; T68-V70 PolarHBondContact O-N 3.27Å; V70-K73 WeakPolarHBondContact O-CB 3.33Å; V70-K73 PolarHBondContact O-N 3.35Å; V70-K74 WeakPolarHBondContact O-CG 3.21Å; V70-K74 PolarHBondContact O-N 3.06Å; V70-K74 VanDerWaalsContact O-N 3.12Å |
| 71 | D | 98.8 | Very high | 98.6 | Very high | 65 Ų | 65 | 104.7 Ų | 104.7 | 35% | 0.348 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71 | -42.3 | 179 | -67.7 | -24.8 | 0 | 0 | 0 | 111.4 | R67 T68 L69 K73 K74 D75 | R67-D71 PolarHBondContact O-N 3.28Å; T68-D71 PolarHBondContact O-N 3.41Å; L69-D71 VanDerWaalsContact C-N 3.33Å; L69-D71 PolarHBondContact O-N 3.01Å; D71-K73 VanDerWaalsContact C-N 3.27Å; D71-K73 PolarHBondContact O-N 3.35Å; D71-K74 WeakPolarHBondContact O-CB 3.33Å; D71-K74 PolarHBondContact O-N 3.01Å; D71-K74 VanDerWaalsContact O-N 3.07Å; D71-K74 IonicContact OD1-NZ 2.83Å; D71-K74 PolarHBondContact OD1-NZ 3.09Å; D71-D75 PolarHBondContact O-N 3.22Å |
| 72 | M | 98.8 | Very high | 98.6 | Very high | 109 Ų | 109 | 105.5 Ų | 105.5 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.3 | -39.2 | 171.9 | -70.7 | 175.6 | 69.5 | 0 | 0 | 112.2 | T68 L69 D75 L76 | T68-M72 HydrophobicContact CG2-CG 4.49Å; T68-M72 HydrophobicContact CG2-SD 4.15Å; T68-M72 VanDerWaalsContact O-CG 3.3Å; T68-M72 WeakPolarHBondContact O-CG 3.39Å; T68-M72 PolarHBondContact O-N 3.37Å; L69-M72 PolarHBondContact O-N 2.9Å; M72-D75 PolarHBondContact O-N 3.14Å; M72-L76 WeakPolarHBondContact O-CG 3.44Å; M72-L76 PolarHBondContact O-N 2.9Å |
| 73 | K | 98.4 | Very high | 98.5 | Very high | 126 Ų | 126 | 103.9 Ų | 103.9 | 55% | 0.548 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 173.8 | -178.2 | -171.7 | 177.4 | -65.9 | 0 | 111.2 | L69 V70 D71 D75 L76 D77 | L69-K73 WeakPolarHBondContact O-CB 3.29Å; L69-K73 PolarHBondContact O-N 3.05Å; V70-K73 WeakPolarHBondContact O-CB 3.33Å; V70-K73 PolarHBondContact O-N 3.35Å; D71-K73 VanDerWaalsContact C-N 3.27Å; D71-K73 PolarHBondContact O-N 3.35Å; K73-D75 VanDerWaalsContact C-N 3.28Å; K73-D75 PolarHBondContact O-N 2.73Å; K73-L76 PolarHBondContact O-N 3.29Å; K73-D77 IonicContact NZ-OD1 3.5Å; K73-D77 IonicContact NZ-OD2 3.53Å; K73-D77 PolarHBondContact NZ-OD2 3.43Å; K73-D77 VanDerWaalsContact O-CG 3.26Å; K73-D77 PolarHBondContact O-N 2.88Å |
| 74 | K | 98.6 | Very high | 98.3 | Very high | 113 Ų | 113 | 105.6 Ų | 105.6 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 178.2 | -67.5 | 169.6 | -167.2 | 155.3 | 0 | 111.7 | V70 D71 D77 S78 | V70-K74 WeakPolarHBondContact O-CG 3.21Å; V70-K74 PolarHBondContact O-N 3.06Å; V70-K74 VanDerWaalsContact O-N 3.12Å; D71-K74 WeakPolarHBondContact O-CB 3.33Å; D71-K74 PolarHBondContact O-N 3.01Å; D71-K74 VanDerWaalsContact O-N 3.07Å; D71-K74 IonicContact OD1-NZ 2.83Å; D71-K74 PolarHBondContact OD1-NZ 3.09Å; K74-D77 PolarHBondContact O-N 2.95Å; K74-S78 WeakPolarHBondContact O-CB 3.45Å; K74-S78 PolarHBondContact O-N 3.28Å |
| 75 | D | 98.5 | Very high | 98.2 | Very high | 102 Ų | 102 | 104.2 Ų | 104.2 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 177.4 | -70.5 | -18.9 | 0 | 0 | 0 | 111.1 | D71 M72 K73 S78 I79 | D71-D75 PolarHBondContact O-N 3.22Å; M72-D75 PolarHBondContact O-N 3.14Å; K73-D75 VanDerWaalsContact C-N 3.28Å; K73-D75 PolarHBondContact O-N 2.73Å; D75-S78 WeakPolarHBondContact O-CB 3.34Å; D75-S78 PolarHBondContact O-N 2.97Å; D75-I79 VanDerWaalsContact O-CG1 3.27Å; D75-I79 WeakPolarHBondContact O-CG1 3.43Å; D75-I79 PolarHBondContact O-N 3.32Å |
| 76 | L | 98.6 | Very high | 98.1 | Very high | 90 Ų | 90 | 102.6 Ų | 102.6 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 174.1 | -71.4 | -177.7 | 0 | 0 | 0 | 111.9 | M72 K73 S78 I79 F80 | M72-L76 WeakPolarHBondContact O-CG 3.44Å; M72-L76 PolarHBondContact O-N 2.9Å; K73-L76 PolarHBondContact O-N 3.29Å; L76-S78 VanDerWaalsContact C-N 3.25Å; L76-S78 PolarHBondContact O-N 3.4Å; L76-I79 PolarHBondContact O-N 3.48Å; L76-I79 VanDerWaalsContact O-N 3.12Å; L76-F80 HydrophobicContact CB-CD2 4.31Å; L76-F80 HydrophobicContact CB-CE2 4.23Å; L76-F80 WeakPolarHBondContact O-CD2 3.44Å; L76-F80 PolarHBondContact O-N 3.14Å |
| 77 | D | 97.9 | Very high | 97.8 | Very high | 69 Ų | 69 | 104 Ų | 104 | 37% | 0.369 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.1 | -41.1 | 177.5 | -70.7 | -23 | 0 | 0 | 0 | 111.3 | K73 K74 R81 | K73-D77 IonicContact NZ-OD1 3.5Å; K73-D77 IonicContact NZ-OD2 3.53Å; K73-D77 PolarHBondContact NZ-OD2 3.43Å; K73-D77 VanDerWaalsContact O-CG 3.26Å; K73-D77 PolarHBondContact O-N 2.88Å; K74-D77 PolarHBondContact O-N 2.95Å; D77-R81 VanDerWaalsContact O-CB 3.27Å; D77-R81 WeakPolarHBondContact O-CB 3.32Å; D77-R81 PolarHBondContact O-N 3.29Å |
| 78 | S | 98.4 | Very high | 97.5 | Very high | 74 Ų | 74 | 97.8 Ų | 97.8 | 52% | 0.517 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -46 | 175.1 | 175.4 | 0 | 0 | 0 | 0 | 112.3 | K74 D75 L76 R81 R82 | K74-S78 WeakPolarHBondContact O-CB 3.45Å; K74-S78 PolarHBondContact O-N 3.28Å; D75-S78 WeakPolarHBondContact O-CB 3.34Å; D75-S78 PolarHBondContact O-N 2.97Å; L76-S78 VanDerWaalsContact C-N 3.25Å; L76-S78 PolarHBondContact O-N 3.4Å; S78-R81 PolarHBondContact O-N 2.92Å; S78-R82 WeakPolarHBondContact O-CB 3.49Å; S78-R82 PolarHBondContact O-N 3.02Å |
| 79 | I | 98.5 | Very high | 97.3 | Very high | 89 Ų | 89 | 100.7 Ų | 100.7 | 46% | 0.456 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 178 | -70.7 | 164.3 | 0 | 0 | 0 | 110.3 | D75 L76 R81 R82 I83 | D75-I79 VanDerWaalsContact O-CG1 3.27Å; D75-I79 WeakPolarHBondContact O-CG1 3.43Å; D75-I79 PolarHBondContact O-N 3.32Å; L76-I79 PolarHBondContact O-N 3.48Å; L76-I79 VanDerWaalsContact O-N 3.12Å; I79-R81 PolarHBondContact O-N 3.33Å; I79-R82 PolarHBondContact O-N 3.3Å; I79-I83 HydrophobicContact CG2-CD1 3.78Å; I79-I83 HydrophobicContact CG2-CG1 4.46Å; I79-I83 WeakPolarHBondContact O-CG1 3.36Å; I79-I83 PolarHBondContact O-N 3.46Å |
| 80 | F | 98.4 | Very high | 97 | Very high | 106 Ų | 106 | 99.1 Ų | 99.1 | 47% | 0.465 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 179.4 | -75.8 | -65 | 0 | 0 | 0 | 111.9 | L76 R82 I83 R84 | L76-F80 HydrophobicContact CB-CD2 4.31Å; L76-F80 HydrophobicContact CB-CE2 4.23Å; L76-F80 WeakPolarHBondContact O-CD2 3.44Å; L76-F80 PolarHBondContact O-N 3.14Å; F80-R82 VanDerWaalsContact C-N 3.32Å; F80-R82 PolarHBondContact O-N 2.95Å; F80-I83 PolarHBondContact O-N 3.33Å; F80-R84 WeakPolarHBondContact O-CG 3.49Å; F80-R84 PolarHBondContact O-N 2.91Å |
| 81 | R | 98.1 | Very high | 96.7 | Very high | 177 Ų | 177 | 98.1 Ų | 98.1 | 67% | 0.668 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.2 | -42.6 | 174.7 | -172.6 | -175.1 | -58.1 | -168 | -0.1 | 112.2 | D77 S78 I79 T85 | D77-R81 VanDerWaalsContact O-CB 3.27Å; D77-R81 WeakPolarHBondContact O-CB 3.32Å; D77-R81 PolarHBondContact O-N 3.29Å; S78-R81 PolarHBondContact O-N 2.92Å; I79-R81 PolarHBondContact O-N 3.33Å; R81-T85 WeakPolarHBondContact O-CB 3.38Å; R81-T85 PolarHBondContact O-N 3.15Å; R81-T85 PolarHBondContact O-OG1 3.17Å |
| 82 | R | 98.1 | Very high | 96.3 | Very high | 181 Ų | 181 | 103.8 Ų | 103.8 | 68% | 0.683 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.5 | -43.8 | 177.5 | -176 | 168.4 | 178.8 | 167.4 | -1.2 | 111.1 | S78 I79 F80 T85 L86 | S78-R82 WeakPolarHBondContact O-CB 3.49Å; S78-R82 PolarHBondContact O-N 3.02Å; I79-R82 PolarHBondContact O-N 3.3Å; F80-R82 VanDerWaalsContact C-N 3.32Å; F80-R82 PolarHBondContact O-N 2.95Å; R82-T85 WeakPolarHBondContact O-CB 3.44Å; R82-T85 PolarHBondContact O-N 2.94Å; R82-L86 HydrophobicContact CG-CD1 3.7Å; R82-L86 WeakPolarHBondContact O-CD1 3.29Å; R82-L86 PolarHBondContact O-N 2.73Å |
| 83 | I | 96.9 | Very high | 96.2 | Very high | 97 Ų | 97 | 105.3 Ų | 105.3 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.9 | -51.5 | 175.6 | -68.7 | 168.1 | 0 | 0 | 0 | 110.6 | I79 F80 T85 L86 K87 | I79-I83 HydrophobicContact CG2-CD1 3.78Å; I79-I83 HydrophobicContact CG2-CG1 4.46Å; I79-I83 WeakPolarHBondContact O-CG1 3.36Å; I79-I83 PolarHBondContact O-N 3.46Å; F80-I83 PolarHBondContact O-N 3.33Å; I83-T85 VanDerWaalsContact C-N 3.28Å; I83-T85 PolarHBondContact O-N 3.34Å; I83-L86 PolarHBondContact O-N 3.47Å; I83-L86 VanDerWaalsContact O-N 3.12Å; I83-K87 WeakPolarHBondContact O-CB 3.39Å; I83-K87 PolarHBondContact O-N 3.46Å |
| 84 | R | 96.1 | Very high | 95.8 | Very high | 130 Ų | 130 | 106.4 Ų | 106.4 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -54.9 | -44.7 | 176.4 | -70.9 | -175.7 | -174.8 | 102.6 | -4.1 | 111.7 | F80 L86 K87 G88 D111 | F80-R84 WeakPolarHBondContact O-CG 3.49Å; F80-R84 PolarHBondContact O-N 2.91Å; R84-L86 PolarHBondContact O-N 3.09Å; R84-K87 PolarHBondContact O-N 3.34Å; R84-G88 PolarHBondContact O-N 3.36Å; R84-D111 VanDerWaalsContact CD-OD2 3.23Å; R84-D111 WeakPolarHBondContact CD-OD2 3.32Å; R84-D111 IonicContact CZ-OD1 3.93Å; R84-D111 IonicContact CZ-OD2 3.84Å; R84-D111 IonicContact NE-OD1 2.9Å; R84-D111 IonicContact NE-OD2 3.82Å; R84-D111 PolarHBondContact NE-OD2 3.4Å; R84-D111 IonicContact NH2-OD1 2.73Å; R84-D111 IonicContact NH2-OD2 2.54Å |
| 85 | T | 96.2 | Very high | 95.2 | Very high | 68 Ų | 68 | 104.7 Ų | 104.7 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 177.4 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | R81 R82 I83 K89 | R81-T85 WeakPolarHBondContact O-CB 3.38Å; R81-T85 PolarHBondContact O-N 3.15Å; R81-T85 PolarHBondContact O-OG1 3.17Å; R82-T85 WeakPolarHBondContact O-CB 3.44Å; R82-T85 PolarHBondContact O-N 2.94Å; I83-T85 VanDerWaalsContact C-N 3.28Å; I83-T85 PolarHBondContact O-N 3.34Å; T85-K89 HydrophobicContact CG2-CD 4.4Å; T85-K89 WeakPolarHBondContact O-CG 3.48Å; T85-K89 PolarHBondContact O-N 2.78Å |
| 86 | L | 96.2 | Very high | 94.6 | Very high | 85 Ų | 85 | 106.9 Ų | 106.9 | 45% | 0.445 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.4 | -44.5 | 177.9 | -90.8 | 78.6 | 0 | 0 | 0 | 111.2 | R82 I83 R84 G88 K89 I90 | R82-L86 HydrophobicContact CG-CD1 3.7Å; R82-L86 WeakPolarHBondContact O-CD1 3.29Å; R82-L86 PolarHBondContact O-N 2.73Å; I83-L86 PolarHBondContact O-N 3.47Å; I83-L86 VanDerWaalsContact O-N 3.12Å; R84-L86 PolarHBondContact O-N 3.09Å; L86-G88 VanDerWaalsContact C-N 3.33Å; L86-G88 PolarHBondContact O-N 3Å; L86-K89 PolarHBondContact O-N 3.36Å; L86-K89 VanDerWaalsContact O-N 3.16Å; L86-I90 WeakPolarHBondContact O-CG1 3.38Å; L86-I90 PolarHBondContact O-N 3.39Å |
| 87 | K | 93.2 | Very high | 93.8 | Very high | 87 Ų | 87 | 105.6 Ų | 105.6 | 38% | 0.378 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -54.5 | -50.3 | 175.5 | -169 | -178.1 | -179.9 | -176.6 | 0 | 110.2 | I83 R84 K89 I90 S91 F98 E108 | I83-K87 WeakPolarHBondContact O-CB 3.39Å; I83-K87 PolarHBondContact O-N 3.46Å; R84-K87 PolarHBondContact O-N 3.34Å; K87-K89 PolarHBondContact O-N 3.25Å; K87-I90 PolarHBondContact O-N 3.45Å; K87-S91 WeakPolarHBondContact O-CB 3.33Å; K87-S91 PolarHBondContact O-N 3.44Å; K87-F98 HydrophobicContact CD-CZ 4.25Å; K87-F98 HydrophobicContact CG-CE2 4Å; K87-F98 HydrophobicContact CG-CZ 3.54Å; K87-E108 IonicContact NZ-OE1 3.83Å; K87-E108 PolarHBondContact NZ-OE1 2.95Å |
| 88 | G | 91.3 | Very high | 93.1 | Very high | 33 Ų | 33 | 104.9 Ų | 104.9 | 34% | 0.34 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -37.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | R84 L86 K92 | R84-G88 PolarHBondContact O-N 3.36Å; L86-G88 VanDerWaalsContact C-N 3.33Å; L86-G88 PolarHBondContact O-N 3Å; G88-K92 VanDerWaalsContact O-CG 3.31Å; G88-K92 WeakPolarHBondContact O-CG 3.37Å; G88-K92 PolarHBondContact O-N 2.91Å |
| 89 | K | 95.2 | Very high | 92.2 | Very high | 127 Ų | 127 | 105.2 Ų | 105.2 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.5 | -44.2 | 175 | -76.4 | 177.7 | -179.1 | -178.7 | 0 | 112.4 | T85 L86 K87 K92 Q93 | T85-K89 HydrophobicContact CG2-CD 4.4Å; T85-K89 WeakPolarHBondContact O-CG 3.48Å; T85-K89 PolarHBondContact O-N 2.78Å; L86-K89 PolarHBondContact O-N 3.36Å; L86-K89 VanDerWaalsContact O-N 3.16Å; K87-K89 PolarHBondContact O-N 3.25Å; K89-K92 PolarHBondContact O-N 2.91Å; K89-Q93 WeakPolarHBondContact O-CB 3.48Å; K89-Q93 WeakPolarHBondContact O-CG 3.49Å; K89-Q93 PolarHBondContact O-N 2.91Å |
| 90 | I | 93.1 | Very high | 91.2 | Very high | 84 Ų | 84 | 107.3 Ų | 107.3 | 43% | 0.431 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.8 | -44.8 | -179 | -65 | 166 | 0 | 0 | 0 | 110.2 | L86 K87 K92 Q93 Y94 F98 | L86-I90 WeakPolarHBondContact O-CG1 3.38Å; L86-I90 PolarHBondContact O-N 3.39Å; K87-I90 PolarHBondContact O-N 3.45Å; I90-K92 VanDerWaalsContact C-N 3.28Å; I90-K92 PolarHBondContact O-N 3.31Å; I90-Q93 PolarHBondContact O-N 2.96Å; I90-Y94 PolarHBondContact O-N 3.32Å; I90-F98 HydrophobicContact CB-CD2 4.39Å; I90-F98 HydrophobicContact CG2-CD2 3.79Å; I90-F98 HydrophobicContact CG2-CE2 4.36Å |
| 91 | S | 90.6 | Very high | 90.3 | Very high | 49 Ų | 49 | 107.9 Ų | 107.9 | 34% | 0.343 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -55.2 | -42.8 | 175.7 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | K87 P95 | K87-S91 WeakPolarHBondContact O-CB 3.33Å; K87-S91 PolarHBondContact O-N 3.44Å; S91-P95 WeakPolarHBondContact O-CA 3.45Å |
| 92 | K | 91.8 | Very high | 88.3 | Confident | 183 Ų | 183 | 107 Ų | 107 | 80% | 0.796 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.2 | -36.3 | 177.2 | -71.8 | 177 | -177.5 | -177.6 | 0 | 114 | G88 K89 I90 | G88-K92 VanDerWaalsContact O-CG 3.31Å; G88-K92 WeakPolarHBondContact O-CG 3.37Å; G88-K92 PolarHBondContact O-N 2.91Å; K89-K92 PolarHBondContact O-N 2.91Å; I90-K92 VanDerWaalsContact C-N 3.28Å; I90-K92 PolarHBondContact O-N 3.31Å |
| 93 | Q | 95.2 | Very high | 86.5 | Confident | 142 Ų | 142 | 104.3 Ų | 104.3 | 66% | 0.664 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -85.4 | -29.3 | -175.5 | -69.6 | -145.9 | 86.5 | 0 | 0 | 113.6 | K89 I90 | K89-Q93 WeakPolarHBondContact O-CB 3.48Å; K89-Q93 WeakPolarHBondContact O-CG 3.49Å; K89-Q93 PolarHBondContact O-N 2.91Å; I90-Q93 PolarHBondContact O-N 2.96Å |
| 94 | Y | 91.9 | Very high | 84.5 | Confident | 149 Ų | 149 | 104 Ų | 104 | 58% | 0.584 | 54% | 0.54 | S | S | * | . | trans | -137.8 | 65.2 | -176.1 | -57.2 | -76.3 | 0 | 0 | 0 | 111.6 | I90 E96 A97 F98 | I90-Y94 PolarHBondContact O-N 3.32Å; Y94-E96 PolarHBondContact O-N 2.85Å; Y94-A97 PolarHBondContact O-N 3.26Å; Y94-F98 VanDerWaalsContact O-CB 3.32Å; Y94-F98 WeakPolarHBondContact O-CB 3.26Å; Y94-F98 PolarHBondContact O-N 2.92Å | ||
| 95 | P | 85.9 | Confident | 82.2 | Confident | 76 Ų | 76 | 103.9 Ų | 103.9 | 49% | 0.494 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.7 | -45.9 | -172.3 | 20.6 | -31.6 | 0 | 0 | 0 | 113 | S91 A97 F98 S99 | S91-P95 WeakPolarHBondContact O-CA 3.45Å; P95-A97 PolarHBondContact O-N 3.42Å; P95-F98 PolarHBondContact O-N 2.97Å; P95-S99 PolarHBondContact O-N 3.45Å; P95-S99 PolarHBondContact O-OG 3.27Å |
| 96 | E | 84.1 | Confident | 80 | Confident | 148 Ų | 148 | 107.5 Ų | 107.5 | 69% | 0.692 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.9 | -35.4 | -179.8 | -60.8 | -61.4 | 147.3 | 0 | 0 | 113.4 | Y94 S99 N100 | Y94-E96 PolarHBondContact O-N 2.85Å; E96-S99 PolarHBondContact O-OG 3.39Å; E96-S99 VanDerWaalsContact O-OG 3.07Å; E96-N100 VanDerWaalsContact O-CG 3.28Å; E96-N100 PolarHBondContact O-ND2 2.95Å |
| 97 | A | 83 | Confident | 77.8 | Confident | 63 Ų | 63 | 111.2 Ų | 111.2 | 52% | 0.521 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -76.4 | -31.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y94 P95 | Y94-A97 PolarHBondContact O-N 3.26Å; P95-A97 PolarHBondContact O-N 3.42Å |
| 98 | F | 84 | Confident | 75.6 | Confident | 55 Ų | 55 | 112.8 Ų | 112.8 | 24% | 0.241 | 60% | 0.599 | C | S | . | * | H | α-helix | trans | -74.6 | -38.9 | -179.9 | -165.5 | -97.3 | 0 | 0 | 0 | 112.1 | K87 I90 Y94 P95 N100 I101 | K87-F98 HydrophobicContact CD-CZ 4.25Å; K87-F98 HydrophobicContact CG-CE2 4Å; K87-F98 HydrophobicContact CG-CZ 3.54Å; I90-F98 HydrophobicContact CB-CD2 4.39Å; I90-F98 HydrophobicContact CG2-CD2 3.79Å; I90-F98 HydrophobicContact CG2-CE2 4.36Å; Y94-F98 VanDerWaalsContact O-CB 3.32Å; Y94-F98 WeakPolarHBondContact O-CB 3.26Å; Y94-F98 PolarHBondContact O-N 2.92Å; P95-F98 PolarHBondContact O-N 2.97Å; F98-N100 PolarHBondContact O-N 3.46Å; F98-I101 HydrophobicContact CD2-CD1 4.47Å; F98-I101 PolarHBondContact O-N 3.43Å |
| 99 | S | 79.3 | Confident | 73.6 | Confident | 80 Ų | 80 | 118.7 Ų | 118.7 | 56% | 0.559 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67 | -20.8 | 177.1 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | P95 E96 I101 | P95-S99 PolarHBondContact O-N 3.45Å; P95-S99 PolarHBondContact O-OG 3.27Å; E96-S99 PolarHBondContact O-OG 3.39Å; E96-S99 VanDerWaalsContact O-OG 3.07Å; S99-I101 VanDerWaalsContact C-N 3.31Å |
| 100 | N | 77.5 | Confident | 71.4 | Confident | 133 Ų | 133 | 120 Ų | 120 | 71% | 0.711 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -5.8 | 179.2 | -70.8 | -27.6 | 0 | 0 | 0 | 113.5 | E96 F98 N102 | E96-N100 VanDerWaalsContact O-CG 3.28Å; E96-N100 PolarHBondContact O-ND2 2.95Å; F98-N100 PolarHBondContact O-N 3.46Å; N100-N102 PolarHBondContact O-N 3.46Å |
| 101 | I | 77.9 | Confident | 69.7 | Low | 118 Ų | 118 | 120.3 Ų | 120.3 | 61% | 0.605 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -81 | 103.1 | 174.8 | -58.4 | 172 | 0 | 0 | 0 | 106.8 | F98 S99 E103 | F98-I101 HydrophobicContact CD2-CD1 4.47Å; F98-I101 PolarHBondContact O-N 3.43Å; S99-I101 VanDerWaalsContact C-N 3.31Å; I101-E103 PolarHBondContact O-N 3.23Å |
| 102 | N | 57.3 | Low | 67.9 | Low | 159 Ų | 159 | 125.4 Ų | 125.4 | 85% | 0.85 | 66% | 0.662 | S | S | * | * | trans | -56.8 | 108.2 | 177 | -125.9 | -18.6 | 0 | 0 | 0 | 109.1 | N100 S104 | N100-N102 PolarHBondContact O-N 3.46Å; N102-S104 PolarHBondContact O-N 3.13Å | ||
| 103 | E | 58.9 | Low | 65.9 | Low | 125 Ų | 125 | 125.9 Ų | 125.9 | 58% | 0.584 | 67% | 0.667 | S | S | * | * | trans | -65.4 | 107.5 | -179.2 | -162.5 | 163.5 | -131.8 | 0 | 0 | 108.1 | I101 | I101-E103 PolarHBondContact O-N 3.23Š| ||
| 104 | S | 55.4 | Low | 63.8 | Low | 91 Ų | 91 | 127.1 Ų | 127.1 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | trans | -61.8 | 132.1 | 161.4 | -60.4 | 0 | 0 | 0 | 0 | 106.2 | N102 I106 | N102-S104 PolarHBondContact O-N 3.13Å; S104-I106 PolarHBondContact O-N 3.17Å | ||
| 105 | P | 49.3 | Very low | 61.5 | Low | 127 Ų | 127 | 129.5 Ų | 129.5 | 83% | 0.825 | 69% | 0.686 | S | S | * | * | trans | -70 | 85.7 | -172.6 | 27 | -32.7 | 0 | 0 | 0 | 109.6 | ||||
| 106 | I | 48.8 | Very low | 59.6 | Low | 143 Ų | 143 | 131 Ų | 131 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | trans | -109.4 | 100.9 | 162.4 | -58.7 | 175.9 | 0 | 0 | 0 | 103 | S104 E108 | S104-I106 PolarHBondContact O-N 3.17Å; I106-E108 PolarHBondContact O-N 3.34Å | ||
| 107 | L | 49.1 | Very low | 58 | Low | 164 Ų | 164 | 128.8 Ų | 128.8 | 86% | 0.859 | 69% | 0.688 | S | S | * | * | trans | -35.9 | 109.5 | -177.7 | -59.4 | 169.8 | 0 | 0 | 0 | 110.6 | D109 | L107-D109 PolarHBondContact O-N 2.86Š| ||
| 108 | E | 48.3 | Very low | 56 | Low | 120 Ų | 120 | 133.2 Ų | 133.2 | 56% | 0.561 | 70% | 0.702 | S | S | * | * | trans | -68.7 | 89.8 | 157.6 | -59.1 | -158.1 | 140 | 0 | 0 | 106.2 | K87 I106 D110 | K87-E108 IonicContact NZ-OE1 3.83Å; K87-E108 PolarHBondContact NZ-OE1 2.95Å; I106-E108 PolarHBondContact O-N 3.34Å; E108-D110 PolarHBondContact O-N 3.08Å | ||
| 109 | D | 48.8 | Very low | 54 | Low | 156 Ų | 156 | 135.4 Ų | 135.4 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | trans | -81.3 | 106 | 152.8 | -117.2 | -5.6 | 0 | 0 | 0 | 105.3 | L107 D111 | L107-D109 PolarHBondContact O-N 2.86Å; D109-D111 PolarHBondContact O-N 3.16Å | ||
| 110 | D | 50 | Low | 53 | Low | 155 Ų | 155 | 137.5 Ų | 137.5 | 83% | 0.829 | 73% | 0.733 | S | S | * | * | trans | -47.4 | 128.7 | 168.4 | -103.4 | -34.6 | 0 | 0 | 0 | 109.4 | E108 D112 | E108-D110 PolarHBondContact O-N 3.08Å; D110-D112 PolarHBondContact O-N 3.09Å | ||
| 111 | D | 56.1 | Low | 51.2 | Low | 90 Ų | 90 | 136 Ų | 136 | 48% | 0.481 | 73% | 0.734 | S | S | . | * | S | Bend | trans | -58.9 | 129.9 | 164.3 | -71.3 | -62.3 | 0 | 0 | 0 | 108.5 | R84 D109 | R84-D111 VanDerWaalsContact CD-OD2 3.23Å; R84-D111 WeakPolarHBondContact CD-OD2 3.32Å; R84-D111 IonicContact CZ-OD1 3.93Å; R84-D111 IonicContact CZ-OD2 3.84Å; R84-D111 IonicContact NE-OD1 2.9Å; R84-D111 IonicContact NE-OD2 3.82Å; R84-D111 PolarHBondContact NE-OD2 3.4Å; R84-D111 IonicContact NH2-OD1 2.73Å; R84-D111 IonicContact NH2-OD2 2.54Å; D109-D111 PolarHBondContact O-N 3.16Å |
| 112 | D | 53.2 | Low | 49.8 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | trans | 158.7 | 56.6 | 136.8 | -73.7 | -22 | 0 | 0 | 0 | 115 | D110 | D110-D112 PolarHBondContact O-N 3.09Š| ||
| 113 | E | 49.4 | Very low | 49.2 | Very low | 193 Ų | 193 | 133.2 Ų | 133.2 | 90% | 0.902 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -137.7 | 100.7 | 154.1 | -74.5 | -170.7 | -179.4 | 0 | 0 | 111.3 | ||
| 114 | E | 50.7 | Low | 48.1 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 78% | 0.78 | 75% | 0.745 | S | S | * | * | trans | 48 | 92.8 | 141.3 | -160.6 | 161.9 | -153.6 | 0 | 0 | 118.4 | D116 | E114-D116 HydrophobicContact CG-CB 4.31Å; E114-D116 PolarHBondContact O-N 2.92Å | ||
| 115 | F | 45.4 | Very low | 47.8 | Very low | 199 Ų | 199 | 134.5 Ų | 134.5 | 87% | 0.873 | 75% | 0.749 | S | S | * | * | trans | -74 | 83.8 | 154.8 | -166.8 | -93 | 0 | 0 | 0 | 108.3 | ||||
| 116 | D | 45.8 | Very low | 47.3 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 58% | 0.583 | 75% | 0.746 | S | S | * | * | trans | -56.9 | 124.5 | 175.8 | -155 | 9.7 | 0 | 0 | 0 | 109.1 | E114 I118 | E114-D116 HydrophobicContact CG-CB 4.31Å; E114-D116 PolarHBondContact O-N 2.92Å; D116-I118 PolarHBondContact O-N 3Å | ||
| 117 | P | 49.3 | Very low | 47.3 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | trans | -69.7 | 107.1 | 177.8 | 27.2 | -31.2 | 0 | 0 | 0 | 108.6 | P119 | P117-P119 VanDerWaalsContact O-CD 3.27Å; P117-P119 WeakPolarHBondContact O-CD 3.49Å | ||
| 118 | I | 42.4 | Very low | 46.9 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | trans | -51.4 | 116.1 | 174.2 | -55.1 | 171.6 | 0 | 0 | 0 | 108.6 | D116 | D116-I118 PolarHBondContact O-N 3Š| ||
| 119 | P | 41.6 | Very low | 46.4 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | trans | -69.7 | 145.2 | -179.9 | 26.6 | -32.3 | 0 | 0 | 0 | 110.2 | P117 S121 | P117-P119 VanDerWaalsContact O-CD 3.27Å; P117-P119 WeakPolarHBondContact O-CD 3.49Å; P119-S121 PolarHBondContact O-N 3.21Å; P119-S121 VanDerWaalsContact O-N 3.08Å | ||
| 120 | P | 57.4 | Low | 46.4 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | -78.4 | 100.8 | 177.5 | 31.9 | -29.6 | 0 | 0 | 0 | 108.3 | ||||
| 121 | S | 40.3 | Very low | 46.1 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -153.7 | 110.4 | 159 | -94.7 | 0 | 0 | 0 | 0 | 114.3 | P119 | P119-S121 PolarHBondContact O-N 3.21Å; P119-S121 VanDerWaalsContact O-N 3.08Å | ||
| 122 | V | 47.5 | Very low | 45.8 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | 69.2 | 110.8 | 135.2 | -166.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 123 | A | 45.2 | Very low | 45.3 | Very low | 83 Ų | 83 | 135.9 Ų | 135.9 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | trans | 66.5 | 107.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 124 | T | 36.6 | Very low | 45.5 | Very low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -142 | 100.8 | 136.2 | -66.3 | 0 | 0 | 0 | 0 | 108.7 | T126 | T124-T126 PolarHBondContact O-N 3.34Š| ||
| 125 | T | 47.8 | Very low | 45.3 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | -48.1 | 110.1 | 157.9 | -58.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 126 | T | 39.5 | Very low | 45 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | trans | -92.9 | 103.4 | 162.9 | 31.3 | 0 | 0 | 0 | 0 | 109 | T124 T128 | T124-T126 PolarHBondContact O-N 3.34Å; T126-T128 PolarHBondContact O-N 3.48Å | ||
| 127 | N | 48.4 | Very low | 45.8 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | -55.4 | 115.8 | 160.8 | -69.2 | -15.8 | 0 | 0 | 0 | 109.2 | A129 | N127-A129 PolarHBondContact O-N 2.91Š| ||
| 128 | T | 40.9 | Very low | 45.4 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -86 | 92.7 | 160.4 | 43.2 | 0 | 0 | 0 | 0 | 108.4 | T126 | T126-T128 PolarHBondContact O-N 3.48Š| ||
| 129 | A | 39.1 | Very low | 45.4 | Very low | 89 Ų | 89 | 129.5 Ų | 129.5 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -71.6 | 135.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | N127 S131 | N127-A129 PolarHBondContact O-N 2.91Å; A129-S131 PolarHBondContact O-N 3.28Å | ||
| 130 | T | 47.7 | Very low | 46.1 | Very low | 141 Ų | 141 | 131 Ų | 131 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -48.8 | 124.2 | 170.4 | 46.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 131 | S | 43.5 | Very low | 45.6 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -138.7 | 109.1 | 158.8 | -164 | 0 | 0 | 0 | 0 | 108.4 | A129 Q133 | A129-S131 PolarHBondContact O-N 3.28Å; S131-Q133 PolarHBondContact O-N 3.24Å | ||
| 132 | E | 50.7 | Low | 46.4 | Very low | 192 Ų | 192 | 130.1 Ų | 130.1 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -70.3 | 114.7 | 175.4 | -55.2 | 179 | 130.1 | 0 | 0 | 108.8 | ||||
| 133 | Q | 43.2 | Very low | 46 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -158.4 | 112.7 | 145.6 | -153.3 | 167 | -0.6 | 0 | 0 | 110.5 | S131 | S131-Q133 PolarHBondContact O-N 3.24Š| ||
| 134 | S | 51.7 | Low | 45.9 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -54.2 | 141.2 | 172.2 | -53.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 135 | T | 47.7 | Very low | 46.3 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | -167.1 | 126.9 | 120.6 | 24.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 136 | E | 38.3 | Very low | 45.7 | Very low | 185 Ų | 185 | 134.2 Ų | 134.2 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | 77.8 | 95.4 | 143.7 | -154 | 162.9 | 165.2 | 0 | 0 | 120.6 | ||||
| 137 | S | 62.8 | Low | 45.9 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | 59.4 | 95.2 | 127.7 | 178 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 138 | C | 40.6 | Very low | 45.2 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -138.1 | 83 | 139.7 | -80.9 | 0 | 0 | 0 | 0 | 108.2 | T140 | C138-T140 PolarHBondContact O-N 2.96Š| ||
| 139 | D | 43.5 | Very low | 45.2 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 69% | 0.69 | 80% | 0.802 | S | S | * | * | trans | -73.5 | 108.9 | 167.2 | -177.1 | 22.2 | 0 | 0 | 0 | 109.1 | S141 | D139-S141 PolarHBondContact OD1-N 3.26Å; D139-S141 PolarHBondContact OD1-OG 3.46Å | ||
| 140 | T | 55.3 | Low | 45.3 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -136.9 | 65.6 | 157 | 50.9 | 0 | 0 | 0 | 0 | 108.4 | C138 | C138-T140 PolarHBondContact O-N 2.96Š| ||
| 141 | S | 47.7 | Very low | 44.9 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73 | 130.3 | 166.3 | -55 | 0 | 0 | 0 | 0 | 109.6 | D139 | D139-S141 PolarHBondContact OD1-N 3.26Å; D139-S141 PolarHBondContact OD1-OG 3.46Å |
| 142 | P | 56.5 | Low | 44.2 | Very low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 133.3 | 165.6 | 31.7 | -27.9 | 0 | 0 | 0 | 109.4 | V144 | P142-V144 PolarHBondContact O-N 3.3Š|
| 143 | D | 39.1 | Very low | 43.6 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 118.8 | 175.1 | -105.9 | -44 | 0 | 0 | 0 | 111.9 | ||
| 144 | V | 43.5 | Very low | 43.2 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -99.7 | 104.7 | 168.4 | -167.7 | 0 | 0 | 0 | 0 | 107.2 | P142 S146 | P142-V144 PolarHBondContact O-N 3.3Å; V144-S146 PolarHBondContact O-N 2.72Å; V144-S146 VanDerWaalsContact O-N 3.09Å | ||
| 145 | I | 45.7 | Very low | 42.4 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -57 | 113.5 | 174.4 | -50.7 | 167.8 | 0 | 0 | 0 | 108.1 | ||||
| 146 | S | 35.2 | Very low | 41.5 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | trans | -118.7 | 128.1 | 163.9 | -78.5 | 0 | 0 | 0 | 0 | 109.3 | V144 T148 | V144-S146 PolarHBondContact O-N 2.72Å; V144-S146 VanDerWaalsContact O-N 3.09Å; S146-T148 PolarHBondContact O-N 3.36Å | ||
| 147 | P | 42.4 | Very low | 41.2 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | trans | -83.1 | 115.7 | -176.9 | 31 | -29.7 | 0 | 0 | 0 | 110.6 | ||||
| 148 | T | 33.7 | Very low | 39.7 | Very low | 133 Ų | 133 | 138 Ų | 138 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | -98.5 | 105 | 170.1 | 40.1 | 0 | 0 | 0 | 0 | 110.5 | S146 S150 | S146-T148 PolarHBondContact O-N 3.36Å; T148-S150 PolarHBondContact O-N 2.84Å | ||
| 149 | V | 41.2 | Very low | 39.2 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | -71.6 | 104.8 | 150 | -96.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 150 | S | 42.3 | Very low | 39 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -152.2 | 113 | 159.2 | -165.2 | 0 | 0 | 0 | 0 | 109.7 | T148 | T148-S150 PolarHBondContact O-N 2.84Š| ||
| 151 | R | 39.5 | Very low | 38.3 | Very low | 242 Ų | 242 | 138.7 Ų | 138.7 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | trans | -75.9 | 128.2 | 174.9 | -69.4 | -171 | 166.9 | -165.3 | -3.6 | 109.1 | ||||
| 152 | C | 27 | Very low | 37.4 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -131.1 | 121.6 | 156.6 | -74.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 153 | S | 38.3 | Very low | 36.5 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -120.8 | 164.6 | 167 | -62.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 154 | E | 35.7 | Very low | 36.7 | Very low | 196 Ų | 196 | 140.2 Ų | 140.2 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | 92.4 | 136.9 | 179.8 | -51.3 | -177.6 | 125.7 | 0 | 0 | 114.5 | ||||
| 155 | D | 33.8 | Very low | 36 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | cis | -176 | 162.2 | -24.2 | -176.8 | 24.9 | 0 | 0 | 0 | 105.4 | ||||
| 156 | L | 28.8 | Very low | 35.4 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | 74.8 | 124.8 | 166.1 | -60.4 | 130.4 | 0 | 0 | 0 | 116.7 | ||||
| 157 | S | 33.4 | Very low | 35.4 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | cis | -171.4 | 136.9 | 41.6 | 35.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 158 | Q | 31 | Very low | 35 | Very low | 188 Ų | 188 | 142.1 Ų | 142.1 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | 40.1 | 117.5 | 139.3 | -66 | 178.8 | -33.3 | 0 | 0 | 122.7 | ||||
| 159 | E | 30.5 | Very low | 34.9 | Very low | 190 Ų | 190 | 143.1 Ų | 143.1 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | -168 | 164 | 121.3 | -117.9 | -165.3 | 63.9 | 0 | 0 | 111.2 | |||||
| 160 | P | 39.3 | Very low | 34.6 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | trans | -105.6 | 170.8 | -131.4 | 25.6 | -3.5 | 0 | 0 | 0 | 114.4 | ||||
| 161 | P | 39.3 | Very low | 34.3 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -97.1 | 134.3 | -177.1 | 35.4 | -26.3 | 0 | 0 | 0 | 111.4 | ||||
| 162 | D | 30.1 | Very low | 34.1 | Very low | 169 Ų | 169 | 138 Ų | 138 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | trans | -148.4 | 107 | 152.5 | -84.7 | -44.1 | 0 | 0 | 0 | 109.4 | ||||
| 163 | T | 37.2 | Very low | 34.6 | Very low | 126 Ų | 126 | 138 Ų | 138 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -94.2 | 154.2 | 154.8 | -20.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 164 | P | 43.2 | Very low | 34.7 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | -155.6 | 164.6 | 85.5 | 40.1 | -20.4 | 0 | 0 | 0 | 117.2 | |||||
| 165 | T | 29.1 | Very low | 34.9 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | 76 | 112.9 | 148.6 | 0.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 166 | S | 33.3 | Very low | 35 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | 169.5 | 125.4 | 88 | -88.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 167 | D | 34.8 | Very low | 35.7 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -57.3 | 132.4 | 161.9 | -84.2 | -48.3 | 0 | 0 | 0 | 111.6 | ||||
| 168 | L | 32.9 | Very low | 36.1 | Very low | 157 Ų | 157 | 142 Ų | 142 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | 172 | 110.9 | 139.4 | -102.4 | 161.7 | 0 | 0 | 0 | 110.6 | ||||
| 169 | L | 32.7 | Very low | 37.6 | Very low | 154 Ų | 154 | 139.3 Ų | 139.3 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | 164.8 | 99.1 | 117.8 | -103.2 | 141.2 | 0 | 0 | 0 | 112.3 | |||||
| 170 | E | 35.3 | Very low | 38.4 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -6.9 | 123 | 135.3 | -166.4 | 175.7 | -175.2 | 0 | 0 | 117.6 | ||||
| 171 | T | 34.8 | Very low | 39.2 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -160.4 | 120.4 | 136.5 | -23.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 172 | A | 36.2 | Very low | 39.5 | Very low | 82 Ų | 82 | 138.3 Ų | 138.3 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | 29.2 | 115.2 | 144.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 173 | V | 36.1 | Very low | 40.8 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | 67.6 | 118.4 | 83.8 | 177.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 174 | L | 41.6 | Very low | 41.2 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | 174.1 | 85.7 | 136.3 | -91.4 | 165.1 | 0 | 0 | 0 | 107.9 | ||||
| 175 | R | 40 | Very low | 41.5 | Very low | 218 Ų | 218 | 142 Ų | 142 | 82% | 0.823 | 81% | 0.806 | S | S | * | * | 55.4 | 101.3 | 96.7 | -65 | -157.9 | 85.9 | -174.4 | 3.6 | 115.3 | |||||
| 176 | D | 35.3 | Very low | 42.1 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -50.3 | 132 | 156.4 | -179.2 | 60.7 | 0 | 0 | 0 | 113 | ||||
| 177 | E | 42.8 | Very low | 42.6 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -121.6 | 103.3 | 170 | -74.5 | -87.5 | 120.8 | 0 | 0 | 107.8 | ||||
| 178 | G | 43.1 | Very low | 43 | Very low | 57 Ų | 57 | 144.2 Ų | 144.2 | 59% | 0.588 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 154 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 179 | P | 61.5 | Low | 43.6 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 128.1 | 171.5 | 31.4 | -28.4 | 0 | 0 | 0 | 112 | ||
| 180 | D | 46.8 | Very low | 44.3 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 158.3 | 173.8 | -160.2 | 5.1 | 0 | 0 | 0 | 112.8 | ||
| 181 | S | 56.2 | Low | 44.9 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 66% | 0.657 | 81% | 0.81 | S | S | * | * | trans | -96.8 | 178.2 | -170.1 | -66.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 182 | V | 46.8 | Very low | 45.6 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | trans | 84.6 | 154.1 | 148.6 | -142 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 183 | P | 57.1 | Low | 46.3 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 75% | 0.747 | 82% | 0.819 | S | S | * | * | cis | -127.8 | 174.2 | -13.4 | 9.8 | 16.5 | 0 | 0 | 0 | 117.3 | ||||
| 184 | A | 44.8 | Very low | 47.2 | Very low | 94 Ų | 94 | 147.5 Ų | 147.5 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | trans | -61.8 | 149.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 185 | E | 50.1 | Low | 47.7 | Very low | 276 Ų | 276 | 145.9 Ų | 145.9 | 100% | 1.29 | 82% | 0.82 | S | S | * | * | trans | -128.7 | 0 | 141.5 | -80.2 | -167.2 | 115.1 | 0 | 0 | 108.8 |
Retrieved 185 of 185 residues in 28.4 ms
(Link to these results)