| 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 | 45.2 | Very low | 52.1 | Low | 226 Ų | 226 | 145.1 Ų | 145.1 | 100% | 1.113 | 77% | 0.773 | S | S | * | * | 0 | 102.5 | 0 | -162.8 | 170.6 | -152.7 | 0 | 0 | 107.6 | I3 | M1-I3 HydrophobicContact CE-CD1 4.09Å; M1-I3 HydrophobicContact CG-CD1 3.99Å; M1-I3 HydrophobicContact CG-CG1 4.38Å; M1-I3 HydrophobicContact SD-CD1 4.38Å | |||
| 2 | K | 47.8 | Very low | 51.9 | Low | 213 Ų | 213 | 138.3 Ų | 138.3 | 93% | 0.926 | 74% | 0.742 | S | S | * | * | trans | -108.7 | 101.8 | 175.2 | -85.4 | 175.6 | 174.5 | 173.3 | 0 | 106.3 | ||||
| 3 | I | 56.3 | Low | 51.9 | Low | 147 Ų | 147 | 137.2 Ų | 137.2 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | trans | -100.8 | 111.1 | 172.7 | -68.5 | 157.5 | 0 | 0 | 0 | 105.9 | M1 | M1-I3 HydrophobicContact CE-CD1 4.09Å; M1-I3 HydrophobicContact CG-CD1 3.99Å; M1-I3 HydrophobicContact CG-CG1 4.38Å; M1-I3 HydrophobicContact SD-CD1 4.38Å | ||
| 4 | S | 50.2 | Low | 51.8 | Low | 84 Ų | 84 | 141 Ų | 141 | 59% | 0.587 | 73% | 0.734 | S | S | * | * | trans | -55.1 | 137.3 | -170.5 | -55.3 | 0 | 0 | 0 | 0 | 113.2 | H6 | S4-H6 VanDerWaalsContact C-N 3.34Å; S4-H6 PolarHBondContact O-N 2.92Å | ||
| 5 | S | 54 | Low | 51.8 | Low | 117 Ų | 117 | 139.8 Ų | 139.8 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -56.3 | 88.8 | 163.4 | 49.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 6 | H | 55 | Low | 51.7 | Low | 179 Ų | 179 | 139.8 Ų | 139.8 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | trans | -111.3 | 22.5 | 170.7 | -96.7 | -72.1 | 0 | 0 | 0 | 112.8 | S4 | S4-H6 VanDerWaalsContact C-N 3.34Å; S4-H6 PolarHBondContact O-N 2.92Å | ||
| 7 | L | 55.3 | Low | 51.7 | Low | 162 Ų | 162 | 135.7 Ų | 135.7 | 85% | 0.848 | 71% | 0.709 | S | S | * | * | trans | -103.7 | 147.7 | 167.8 | -67.6 | 154.9 | 0 | 0 | 0 | 106.9 | ||||
| 8 | N | 52.3 | Low | 51.8 | Low | 120 Ų | 120 | 131.3 Ų | 131.3 | 64% | 0.642 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 85.6 | 64.6 | 160.5 | -165.6 | 26.7 | 0 | 0 | 0 | 118 | ||
| 9 | N | 53.9 | Low | 51.6 | Low | 143 Ų | 143 | 129.8 Ų | 129.8 | 77% | 0.765 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -149.9 | -13.1 | 147.7 | -95.4 | -17 | 0 | 0 | 0 | 114.1 | ||
| 10 | N | 54 | Low | 51.5 | Low | 127 Ų | 127 | 126.2 Ų | 126.2 | 68% | 0.679 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -89.3 | -20.4 | 178.1 | -160 | 2.5 | 0 | 0 | 0 | 113.6 | ||
| 11 | S | 48.6 | Very low | 51.5 | Low | 78 Ų | 78 | 125.9 Ų | 125.9 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -79 | -31 | -176 | -53.9 | 0 | 0 | 0 | 0 | 113.4 | R14 L15 | S11-R14 PolarHBondContact O-N 3.3Å; S11-L15 WeakPolarHBondContact O-CG 3.43Å; S11-L15 PolarHBondContact O-N 3.4Å |
| 12 | T | 50.7 | Low | 51.7 | Low | 64 Ų | 64 | 119.6 Ų | 119.6 | 39% | 0.393 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.6 | -37.1 | -173.2 | -23.3 | 0 | 0 | 0 | 0 | 112.5 | H16 | T12-H16 PolarHBondContact O-N 3.12Å |
| 13 | N | 51.1 | Low | 51.9 | Low | 124 Ų | 124 | 116.3 Ų | 116.3 | 66% | 0.663 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.2 | -30.8 | 177.2 | -80.2 | -21 | 0 | 0 | 0 | 113.2 | S17 | N13-S17 WeakPolarHBondContact O-CB 3.48Å; N13-S17 PolarHBondContact O-N 3.4Å; N13-S17 VanDerWaalsContact O-N 3.12Å |
| 14 | R | 50.9 | Low | 51.6 | Low | 190 Ų | 190 | 114.7 Ų | 114.7 | 72% | 0.717 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73.2 | -34.9 | 178.9 | -61.6 | -173 | 99.4 | -153.4 | 5.2 | 111.9 | S11 S18 | S11-R14 PolarHBondContact O-N 3.3Å; R14-S18 WeakPolarHBondContact O-CB 3.39Å; R14-S18 PolarHBondContact O-N 3.16Å; R14-S18 VanDerWaalsContact O-N 3.09Å |
| 15 | L | 51.4 | Low | 51.5 | Low | 123 Ų | 123 | 116.3 Ų | 116.3 | 64% | 0.644 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71 | -39.2 | 176.6 | -66 | 173.9 | 0 | 0 | 0 | 112.1 | S11 S18 L19 | S11-L15 WeakPolarHBondContact O-CG 3.43Å; S11-L15 PolarHBondContact O-N 3.4Å; L15-S18 PolarHBondContact O-N 3.09Å; L15-L19 PolarHBondContact O-N 3.29Å; L15-L19 VanDerWaalsContact O-N 3.16Å |
| 16 | H | 50.5 | Low | 51.6 | Low | 140 Ų | 140 | 114.5 Ų | 114.5 | 65% | 0.648 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.3 | -37.2 | 176.5 | -77.6 | -155.1 | 0 | 0 | 0 | 112.7 | T12 S18 | T12-H16 PolarHBondContact O-N 3.12Å; H16-S18 VanDerWaalsContact C-N 3.35Å |
| 17 | S | 51.8 | Low | 51.7 | Low | 70 Ų | 70 | 110.5 Ų | 110.5 | 49% | 0.49 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68 | -34.1 | 174.3 | -172 | 0 | 0 | 0 | 0 | 112.7 | N13 | N13-S17 WeakPolarHBondContact O-CB 3.48Å; N13-S17 PolarHBondContact O-N 3.4Å; N13-S17 VanDerWaalsContact O-N 3.12Å |
| 18 | S | 53 | Low | 51.9 | Low | 56 Ų | 56 | 107.8 Ų | 107.8 | 39% | 0.392 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.6 | -35.3 | 179.2 | -171.4 | 0 | 0 | 0 | 0 | 112.1 | R14 L15 H16 Q21 I22 | R14-S18 WeakPolarHBondContact O-CB 3.39Å; R14-S18 PolarHBondContact O-N 3.16Å; R14-S18 VanDerWaalsContact O-N 3.09Å; L15-S18 PolarHBondContact O-N 3.09Å; H16-S18 VanDerWaalsContact C-N 3.35Å; S18-Q21 PolarHBondContact O-N 3.26Å; S18-I22 WeakPolarHBondContact O-CD1 3.45Å; S18-I22 VanDerWaalsContact O-CG1 3.26Å; S18-I22 WeakPolarHBondContact O-CG1 3.24Å; S18-I22 PolarHBondContact O-N 3.29Å |
| 19 | L | 48.6 | Very low | 52.4 | Low | 103 Ų | 103 | 106.5 Ų | 106.5 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.2 | -39.7 | -178.5 | -148.2 | 75.2 | 0 | 0 | 0 | 112.1 | L15 Q21 I22 F23 | L15-L19 PolarHBondContact O-N 3.29Å; L15-L19 VanDerWaalsContact O-N 3.16Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; L19-Q21 PolarHBondContact O-N 3.3Å; L19-I22 PolarHBondContact O-N 3.43Å; L19-F23 HydrophobicContact CD1-CE2 4.4Å; L19-F23 HydrophobicContact CD2-CE2 4.32Å; L19-F23 HydrophobicContact CG-CD2 4.24Å; L19-F23 HydrophobicContact CG-CE2 3.91Å; L19-F23 VanDerWaalsContact O-CD2 3.24Å; L19-F23 WeakPolarHBondContact O-CD2 3.46Å; L19-F23 PolarHBondContact O-N 3.48Å |
| 20 | A | 50.3 | Low | 52.8 | Low | 58 Ų | 58 | 105.5 Ų | 105.5 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.3 | -33.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M24 | A20-M24 WeakPolarHBondContact O-CB 3.44Å; A20-M24 WeakPolarHBondContact O-CG 3.34Å; A20-M24 PolarHBondContact O-N 3.32Å |
| 21 | Q | 49.6 | Very low | 53.5 | Low | 120 Ų | 120 | 105.1 Ų | 105.1 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69 | -39 | 175.4 | -75.3 | 179.2 | -27.4 | 0 | 0 | 111.8 | S18 L19 F23 Q25 | S18-Q21 PolarHBondContact O-N 3.26Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; L19-Q21 PolarHBondContact O-N 3.3Å; Q21-F23 VanDerWaalsContact C-N 3.32Å; Q21-F23 PolarHBondContact O-N 3.35Å; Q21-Q25 WeakPolarHBondContact O-CB 3.26Å; Q21-Q25 WeakPolarHBondContact O-CG 3.48Å; Q21-Q25 PolarHBondContact O-N 3.18Å |
| 22 | I | 51.3 | Low | 54.4 | Low | 94 Ų | 94 | 104.2 Ų | 104.2 | 48% | 0.482 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.5 | -37.8 | 179 | -67 | 162.1 | 0 | 0 | 0 | 111.2 | S18 L19 | S18-I22 WeakPolarHBondContact O-CD1 3.45Å; S18-I22 VanDerWaalsContact O-CG1 3.26Å; S18-I22 WeakPolarHBondContact O-CG1 3.24Å; S18-I22 PolarHBondContact O-N 3.29Å; L19-I22 PolarHBondContact O-N 3.43Å |
| 23 | F | 51.2 | Low | 55.3 | Low | 143 Ų | 143 | 105 Ų | 105 | 63% | 0.627 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -85.6 | -23.9 | -178.2 | -73.9 | -69.8 | 0 | 0 | 0 | 115.3 | L19 Q21 P26 | L19-F23 HydrophobicContact CD1-CE2 4.4Å; L19-F23 HydrophobicContact CD2-CE2 4.32Å; L19-F23 HydrophobicContact CG-CD2 4.24Å; L19-F23 HydrophobicContact CG-CE2 3.91Å; L19-F23 VanDerWaalsContact O-CD2 3.24Å; L19-F23 WeakPolarHBondContact O-CD2 3.46Å; L19-F23 PolarHBondContact O-N 3.48Å; Q21-F23 VanDerWaalsContact C-N 3.32Å; Q21-F23 PolarHBondContact O-N 3.35Å; F23-P26 WeakPolarHBondContact O-CD 3.33Å |
| 24 | M | 50.3 | Low | 56.3 | Low | 113 Ų | 113 | 104.5 Ų | 104.5 | 56% | 0.557 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -89 | -19.8 | 179 | -73.5 | -72.8 | 164.8 | 0 | 0 | 113.6 | A20 I27 N28 | A20-M24 WeakPolarHBondContact O-CB 3.44Å; A20-M24 WeakPolarHBondContact O-CG 3.34Å; A20-M24 PolarHBondContact O-N 3.32Å; M24-I27 PolarHBondContact O-N 3.22Å; M24-I27 HydrophobicContact SD-CD1 4.29Å; M24-N28 PolarHBondContact O-N 2.97Å |
| 25 | Q | 48.2 | Very low | 57.3 | Low | 118 Ų | 118 | 100.9 Ų | 100.9 | 55% | 0.551 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -54.2 | -46.5 | 176.4 | -85.3 | 171.5 | -3 | 0 | 0 | 114.4 | Q21 I27 N28 V29 | Q21-Q25 WeakPolarHBondContact O-CB 3.26Å; Q21-Q25 WeakPolarHBondContact O-CG 3.48Å; Q21-Q25 PolarHBondContact O-N 3.18Å; Q25-I27 VanDerWaalsContact C-N 3.32Å; Q25-I27 PolarHBondContact O-N 2.99Å; Q25-N28 PolarHBondContact O-N 3.42Å; Q25-V29 WeakPolarHBondContact O-CG2 3.12Å; Q25-V29 PolarHBondContact O-N 3.24Å; Q25-V29 VanDerWaalsContact O-N 3.07Å |
| 26 | P | 55.4 | Low | 57.8 | Low | 80 Ų | 80 | 98 Ų | 98 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66 | -32.2 | -178.6 | 21.5 | -31.4 | 0 | 0 | 0 | 113.3 | F23 M30 | F23-P26 WeakPolarHBondContact O-CD 3.33Å; P26-M30 WeakPolarHBondContact O-CB 3.42Å; P26-M30 PolarHBondContact O-N 2.95Å |
| 27 | I | 58.4 | Low | 58.3 | Low | 94 Ų | 94 | 97.1 Ų | 97.1 | 48% | 0.482 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.8 | -43.6 | 178.2 | -61.4 | 173.7 | 0 | 0 | 0 | 110.3 | M24 Q25 V29 M30 L31 | M24-I27 PolarHBondContact O-N 3.22Å; M24-I27 HydrophobicContact SD-CD1 4.29Å; Q25-I27 VanDerWaalsContact C-N 3.32Å; Q25-I27 PolarHBondContact O-N 2.99Å; I27-V29 VanDerWaalsContact C-N 3.34Å; I27-V29 PolarHBondContact O-N 3.39Å; I27-M30 PolarHBondContact O-N 3.46Å; I27-L31 WeakPolarHBondContact O-CB 3.39Å; I27-L31 PolarHBondContact O-N 2.98Å |
| 28 | N | 58.3 | Low | 58.8 | Low | 106 Ų | 106 | 95.9 Ų | 95.9 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.6 | -39 | 178.2 | -70.8 | -13.2 | 0 | 0 | 0 | 111.9 | M24 Q25 A32 | M24-N28 PolarHBondContact O-N 2.97Å; Q25-N28 PolarHBondContact O-N 3.42Å; N28-A32 WeakPolarHBondContact O-CB 3.32Å; N28-A32 PolarHBondContact O-N 2.89Å; N28-A32 VanDerWaalsContact O-N 3.09Å |
| 29 | V | 61.9 | Low | 59 | Low | 92 Ų | 92 | 94.8 Ų | 94.8 | 56% | 0.558 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.1 | -46.4 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | Q25 I27 L31 A32 V33 | Q25-V29 WeakPolarHBondContact O-CG2 3.12Å; Q25-V29 PolarHBondContact O-N 3.24Å; Q25-V29 VanDerWaalsContact O-N 3.07Å; I27-V29 VanDerWaalsContact C-N 3.34Å; I27-V29 PolarHBondContact O-N 3.39Å; V29-L31 VanDerWaalsContact C-N 3.33Å; V29-L31 PolarHBondContact O-N 3.09Å; V29-A32 PolarHBondContact O-N 3.42Å; V29-V33 HydrophobicContact CG1-CG2 4.47Å; V29-V33 WeakPolarHBondContact O-CG2 3.36Å; V29-V33 PolarHBondContact O-N 3.38Å |
| 30 | M | 63.4 | Low | 59.5 | Low | 123 Ų | 123 | 98.5 Ų | 98.5 | 61% | 0.606 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.5 | -39.6 | -179.7 | -171.2 | 161.6 | 68.2 | 0 | 0 | 112.1 | P26 I27 V33 L34 | P26-M30 WeakPolarHBondContact O-CB 3.42Å; P26-M30 PolarHBondContact O-N 2.95Å; I27-M30 PolarHBondContact O-N 3.46Å; M30-V33 PolarHBondContact O-N 3.07Å; M30-L34 HydrophobicContact CG-CD1 4.42Å; M30-L34 PolarHBondContact O-N 3.33Å |
| 31 | L | 69 | Low | 59.7 | Low | 118 Ų | 118 | 99.9 Ų | 99.9 | 62% | 0.618 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.4 | -41.6 | 175.1 | -175.1 | 61.5 | 0 | 0 | 0 | 111.9 | I27 V29 L34 L35 | I27-L31 WeakPolarHBondContact O-CB 3.39Å; I27-L31 PolarHBondContact O-N 2.98Å; V29-L31 VanDerWaalsContact C-N 3.33Å; V29-L31 PolarHBondContact O-N 3.09Å; L31-L34 PolarHBondContact O-N 3.36Å; L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 PolarHBondContact O-N 3.43Å |
| 32 | A | 66.2 | Low | 59.8 | Low | 59 Ų | 59 | 102 Ų | 102 | 49% | 0.488 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.7 | -40.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N28 V29 L35 A36 | N28-A32 WeakPolarHBondContact O-CB 3.32Å; N28-A32 PolarHBondContact O-N 2.89Å; N28-A32 VanDerWaalsContact O-N 3.09Å; V29-A32 PolarHBondContact O-N 3.42Å; A32-L35 PolarHBondContact O-N 3.22Å; A32-A36 WeakPolarHBondContact O-CB 3.35Å; A32-A36 PolarHBondContact O-N 2.95Å |
| 33 | V | 69.7 | Low | 59.3 | Low | 80 Ų | 80 | 100 Ų | 100 | 49% | 0.485 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.1 | -45.5 | 176.2 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | V29 M30 L35 A36 L37 | V29-V33 HydrophobicContact CG1-CG2 4.47Å; V29-V33 WeakPolarHBondContact O-CG2 3.36Å; V29-V33 PolarHBondContact O-N 3.38Å; M30-V33 PolarHBondContact O-N 3.07Å; V33-L35 VanDerWaalsContact C-N 3.33Å; V33-L35 PolarHBondContact O-N 3.41Å; V33-A36 PolarHBondContact O-N 3.41Å; V33-L37 WeakPolarHBondContact O-CB 3.48Å; V33-L37 PolarHBondContact O-N 2.95Å |
| 34 | L | 72.8 | Confident | 58.8 | Low | 114 Ų | 114 | 96.9 Ų | 96.9 | 60% | 0.597 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.7 | -43.4 | 176.3 | -109.2 | 74.5 | 0 | 0 | 0 | 111.8 | M30 L31 L37 A38 | M30-L34 HydrophobicContact CG-CD1 4.42Å; M30-L34 PolarHBondContact O-N 3.33Å; L31-L34 PolarHBondContact O-N 3.36Å; L34-L37 PolarHBondContact O-N 3.44Å; L34-A38 WeakPolarHBondContact O-CB 3.37Å; L34-A38 PolarHBondContact O-N 2.97Å |
| 35 | L | 71.4 | Confident | 58.4 | Low | 114 Ų | 114 | 101.6 Ų | 101.6 | 60% | 0.597 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68 | -39.3 | -179.7 | -171.8 | 63.1 | 0 | 0 | 0 | 111.9 | L31 A32 V33 A38 S39 | L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 PolarHBondContact O-N 3.43Å; A32-L35 PolarHBondContact O-N 3.22Å; V33-L35 VanDerWaalsContact C-N 3.33Å; V33-L35 PolarHBondContact O-N 3.41Å; L35-A38 PolarHBondContact O-N 2.89Å; L35-S39 WeakPolarHBondContact O-CB 3.37Å; L35-S39 PolarHBondContact O-N 3.39Å; L35-S39 PolarHBondContact O-OG 2.72Å |
| 36 | A | 62 | Low | 58.2 | Low | 62 Ų | 62 | 101.2 Ų | 101.2 | 51% | 0.512 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.8 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | A32 V33 S39 F40 | A32-A36 WeakPolarHBondContact O-CB 3.35Å; A32-A36 PolarHBondContact O-N 2.95Å; V33-A36 PolarHBondContact O-N 3.41Å; A36-S39 PolarHBondContact O-N 3.11Å; A36-F40 PolarHBondContact O-N 3.45Å |
| 37 | L | 62.5 | Low | 57.9 | Low | 123 Ų | 123 | 103.3 Ų | 103.3 | 64% | 0.644 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.7 | -43.6 | 174.3 | -121.1 | 71.5 | 0 | 0 | 0 | 112 | V33 L34 S39 F40 A41 | V33-L37 WeakPolarHBondContact O-CB 3.48Å; V33-L37 PolarHBondContact O-N 2.95Å; L34-L37 PolarHBondContact O-N 3.44Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-F40 WeakPolarHBondContact O-CB 3.36Å; L37-F40 PolarHBondContact O-N 3.43Å; L37-A41 PolarHBondContact O-N 3.34Å |
| 38 | A | 61.5 | Low | 57.3 | Low | 44 Ų | 44 | 101.8 Ų | 101.8 | 36% | 0.364 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.4 | -40.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L34 L35 F40 A41 Q42 | L34-A38 WeakPolarHBondContact O-CB 3.37Å; L34-A38 PolarHBondContact O-N 2.97Å; L35-A38 PolarHBondContact O-N 2.89Å; A38-F40 VanDerWaalsContact C-N 3.3Å; A38-F40 PolarHBondContact O-N 3.4Å; A38-A41 PolarHBondContact O-N 3.12Å; A38-Q42 WeakPolarHBondContact O-CG 3.49Å; A38-Q42 PolarHBondContact O-N 3.24Å; A38-Q42 VanDerWaalsContact O-N 3.09Å |
| 39 | S | 57.3 | Low | 56.7 | Low | 33 Ų | 33 | 102.1 Ų | 102.1 | 23% | 0.231 | 61% | 0.613 | C | S | . | * | H | α-helix | trans | -64.9 | -34.1 | 175.7 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | L35 A36 L37 | L35-S39 WeakPolarHBondContact O-CB 3.37Å; L35-S39 PolarHBondContact O-N 3.39Å; L35-S39 PolarHBondContact O-OG 2.72Å; A36-S39 PolarHBondContact O-N 3.11Å; L37-S39 VanDerWaalsContact C-N 3.34Å |
| 40 | F | 57.9 | Low | 55.7 | Low | 181 Ų | 181 | 103.1 Ų | 103.1 | 79% | 0.794 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.3 | -42.7 | 174.5 | -172.5 | -97.9 | 0 | 0 | 0 | 111.8 | A36 L37 A38 Q42 G43 | A36-F40 PolarHBondContact O-N 3.45Å; L37-F40 WeakPolarHBondContact O-CB 3.36Å; L37-F40 PolarHBondContact O-N 3.43Å; A38-F40 VanDerWaalsContact C-N 3.3Å; A38-F40 PolarHBondContact O-N 3.4Å; F40-Q42 VanDerWaalsContact C-N 3.33Å; F40-Q42 PolarHBondContact O-N 3.32Å; F40-G43 PolarHBondContact O-N 3.38Å |
| 41 | A | 55.2 | Low | 54.6 | Low | 86 Ų | 86 | 101.2 Ų | 101.2 | 71% | 0.711 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.4 | -25.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L37 A38 G43 | L37-A41 PolarHBondContact O-N 3.34Å; A38-A41 PolarHBondContact O-N 3.12Å; A41-G43 VanDerWaalsContact C-N 3.27Å; A41-G43 PolarHBondContact O-N 3Å |
| 42 | Q | 51.1 | Low | 53 | Low | 166 Ų | 166 | 98.9 Ų | 98.9 | 78% | 0.776 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 9.7 | 179.5 | -72.6 | -177.9 | -4.3 | 0 | 0 | 114.5 | A38 F40 | A38-Q42 WeakPolarHBondContact O-CG 3.49Å; A38-Q42 PolarHBondContact O-N 3.24Å; A38-Q42 VanDerWaalsContact O-N 3.09Å; F40-Q42 VanDerWaalsContact C-N 3.33Å; F40-Q42 PolarHBondContact O-N 3.32Å |
| 43 | G | 40.6 | Very low | 51.6 | Low | 51 Ų | 51 | 102.3 Ų | 102.3 | 53% | 0.526 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 81 | 85.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F40 A41 R45 | F40-G43 PolarHBondContact O-N 3.38Å; A41-G43 VanDerWaalsContact C-N 3.27Å; A41-G43 PolarHBondContact O-N 3Å; G43-R45 PolarHBondContact O-N 3.09Å |
| 44 | G | 42.2 | Very low | 50 | Low | 78 Ų | 78 | 104.6 Ų | 104.6 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 59.2 | -0.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | S46 | G44-S46 PolarHBondContact O-N 3.43Š|
| 45 | R | 41.2 | Very low | 48.9 | Very low | 212 Ų | 212 | 106.6 Ų | 106.6 | 80% | 0.8 | 68% | 0.676 | S | S | * | * | trans | -82.6 | 87.9 | 178.7 | -65.9 | -173.3 | 80.9 | 147.6 | 4 | 108.8 | G43 V47 | G43-R45 PolarHBondContact O-N 3.09Å; R45-V47 PolarHBondContact O-N 3.41Å | ||
| 46 | S | 44.5 | Very low | 47.7 | Very low | 110 Ų | 110 | 107 Ų | 107 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | trans | -60.1 | 97.8 | 169.7 | -176.6 | 0 | 0 | 0 | 0 | 110 | G44 A48 | G44-S46 PolarHBondContact O-N 3.43Å; S46-A48 PolarHBondContact O-N 3.3Å | ||
| 47 | V | 47.9 | Very low | 47 | Very low | 123 Ų | 123 | 108.3 Ų | 108.3 | 75% | 0.745 | 69% | 0.687 | S | S | * | * | trans | -85.1 | 87.5 | 160.9 | -95.2 | 0 | 0 | 0 | 0 | 107 | R45 | R45-V47 PolarHBondContact O-N 3.41Š| ||
| 48 | A | 46.1 | Very low | 46.2 | Very low | 62 Ų | 62 | 108.8 Ų | 108.8 | 51% | 0.512 | 70% | 0.695 | S | S | . | * | trans | -61.8 | 137.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110 | S46 A50 | S46-A48 PolarHBondContact O-N 3.3Å; A48-A50 PolarHBondContact O-N 3Å | ||
| 49 | P | 46.8 | Very low | 45.2 | Very low | 114 Ų | 114 | 111.7 Ų | 111.7 | 74% | 0.74 | 71% | 0.708 | S | S | * | * | trans | -60.8 | 136.1 | 175.6 | 15.6 | -17.8 | 0 | 0 | 0 | 109.7 | G51 | P49-G51 PolarHBondContact O-N 3.45Å; P49-G51 VanDerWaalsContact O-N 3.11Å | ||
| 50 | A | 41.1 | Very low | 44.4 | Very low | 113 Ų | 113 | 117.8 Ų | 117.8 | 93% | 0.934 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40 | 114 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A48 | A48-A50 PolarHBondContact O-N 3Š|
| 51 | G | 38.5 | Very low | 43.6 | Very low | 83 Ų | 83 | 113.4 Ų | 113.4 | 86% | 0.856 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 125.6 | 2.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | P49 | P49-G51 PolarHBondContact O-N 3.45Å; P49-G51 VanDerWaalsContact O-N 3.11Å |
| 52 | A | 37 | Very low | 42.9 | Very low | 69 Ų | 69 | 114.2 Ų | 114.2 | 57% | 0.57 | 73% | 0.726 | S | S | * | * | trans | -133 | 101.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 53 | V | 35.9 | Very low | 42.5 | Very low | 130 Ų | 130 | 111.9 Ų | 111.9 | 79% | 0.788 | 73% | 0.725 | S | S | * | * | trans | 58.2 | 89.7 | 139.7 | -150.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 54 | T | 37.3 | Very low | 42.3 | Very low | 129 Ų | 129 | 118.6 Ų | 118.6 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | 64.3 | 111.7 | 132.7 | -27.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 55 | E | 48 | Very low | 42 | Very low | 155 Ų | 155 | 117.2 Ų | 117.2 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | -53.5 | 137.6 | 171.8 | -58.6 | 175.8 | 168.3 | 0 | 0 | 112.5 | T57 | E55-T57 PolarHBondContact O-N 3.41Š| ||
| 56 | P | 47.7 | Very low | 41.7 | Very low | 123 Ų | 123 | 112.6 Ų | 112.6 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | trans | -74.7 | 89.4 | 145.9 | 30.8 | -25.8 | 0 | 0 | 0 | 106.4 | V58 | P56-V58 PolarHBondContact O-N 2.97Š| ||
| 57 | T | 47.1 | Very low | 41.1 | Very low | 90 Ų | 90 | 110.6 Ų | 110.6 | 55% | 0.552 | 73% | 0.725 | S | S | * | * | trans | -48 | 98.3 | 166.8 | -56.4 | 0 | 0 | 0 | 0 | 110 | E55 T59 | E55-T57 PolarHBondContact O-N 3.41Å; T57-T59 WeakPolarHBondContact CG2-OG1 3.42Å; T57-T59 PolarHBondContact O-N 3.48Å | ||
| 58 | V | 44.5 | Very low | 40.4 | Very low | 132 Ų | 132 | 113.2 Ų | 113.2 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | trans | -91.2 | 67.4 | 149.9 | -171.1 | 0 | 0 | 0 | 0 | 105.9 | P56 Q60 | P56-V58 PolarHBondContact O-N 2.97Å; V58-Q60 PolarHBondContact O-N 3.26Å | ||
| 59 | T | 41.7 | Very low | 39.8 | Very low | 105 Ų | 105 | 115.9 Ų | 115.9 | 64% | 0.644 | 75% | 0.749 | S | S | * | * | trans | -65.8 | 92.4 | 156.8 | -67.3 | 0 | 0 | 0 | 0 | 104.8 | T57 A61 | T57-T59 WeakPolarHBondContact CG2-OG1 3.42Å; T57-T59 PolarHBondContact O-N 3.48Å; T59-A61 VanDerWaalsContact C-N 3.32Å; T59-A61 PolarHBondContact O-N 3.44Å | ||
| 60 | Q | 40.6 | Very low | 39.1 | Very low | 162 Ų | 162 | 116.1 Ų | 116.1 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | trans | -51.6 | 114.7 | 143.2 | -83.9 | -175.3 | -12 | 0 | 0 | 104.6 | V58 V62 | V58-Q60 PolarHBondContact O-N 3.26Å; Q60-V62 PolarHBondContact O-N 3.15Å | ||
| 61 | A | 39.6 | Very low | 39 | Very low | 88 Ų | 88 | 117.4 Ų | 117.4 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -59 | 84.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | T59 P63 | T59-A61 VanDerWaalsContact C-N 3.32Å; T59-A61 PolarHBondContact O-N 3.44Å; A61-P63 VanDerWaalsContact O-CD 3.28Å; A61-P63 WeakPolarHBondContact O-CD 3.32Å | ||
| 62 | V | 41.8 | Very low | 39 | Very low | 103 Ų | 103 | 118.8 Ų | 118.8 | 62% | 0.624 | 74% | 0.737 | S | S | * | * | trans | -77.3 | 108.4 | 159.3 | -178.7 | 0 | 0 | 0 | 0 | 103.3 | Q60 E64 | Q60-V62 PolarHBondContact O-N 3.15Å; V62-E64 HydrophobicContact CG1-CG 4.27Å; V62-E64 PolarHBondContact O-N 3.38Å | ||
| 63 | P | 41.3 | Very low | 39 | Very low | 117 Ų | 117 | 121 Ų | 121 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | -71.4 | 89.5 | 176.5 | 3.9 | 13.1 | 0 | 0 | 0 | 106.5 | A61 G65 | A61-P63 VanDerWaalsContact O-CD 3.28Å; A61-P63 WeakPolarHBondContact O-CD 3.32Å; P63-G65 PolarHBondContact O-N 3.46Å | ||
| 64 | E | 38.4 | Very low | 39.2 | Very low | 192 Ų | 192 | 122.4 Ų | 122.4 | 90% | 0.897 | 75% | 0.746 | S | S | * | * | trans | -73.8 | 74.1 | 159.9 | -66.2 | -168.9 | -175.6 | 0 | 0 | 107.1 | V62 | V62-E64 HydrophobicContact CG1-CG 4.27Å; V62-E64 PolarHBondContact O-N 3.38Å | ||
| 65 | G | 34.8 | Very low | 39.3 | Very low | 50 Ų | 50 | 125 Ų | 125 | 52% | 0.515 | 74% | 0.741 | S | S | . | * | trans | -141.2 | 114.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | P63 | P63-G65 PolarHBondContact O-N 3.46Š| ||
| 66 | S | 36.1 | Very low | 39.1 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | 48.5 | 105.9 | 155.3 | 57.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 67 | G | 30.6 | Very low | 38.8 | Very low | 67 Ų | 67 | 121.8 Ų | 121.8 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | S | Bend | 52.6 | 101 | 79.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||
| 68 | L | 33.8 | Very low | 38.8 | Very low | 179 Ų | 179 | 125 Ų | 125 | 94% | 0.937 | 74% | 0.741 | S | S | * | * | trans | 75.3 | 88.5 | 168.6 | -48.5 | 164.9 | 0 | 0 | 0 | 116.3 | ||||
| 69 | S | 33.5 | Very low | 38.5 | Very low | 118 Ų | 118 | 123.7 Ų | 123.7 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | -164.8 | 117.8 | 126.7 | -159.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 70 | S | 32.9 | Very low | 38.5 | Very low | 119 Ų | 119 | 123.6 Ų | 123.6 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | trans | -74.6 | 114.8 | 167.9 | 159.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 71 | D | 38.5 | Very low | 38.5 | Very low | 139 Ų | 139 | 120.2 Ų | 120.2 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | -156.5 | 113.5 | 160.7 | -132.9 | -7 | 0 | 0 | 0 | 111.1 | ||||
| 72 | V | 38.1 | Very low | 38.5 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | trans | 58.1 | 99 | 133.5 | 174.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 73 | T | 37 | Very low | 38.5 | Very low | 115 Ų | 115 | 124 Ų | 124 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | 63 | 91.5 | 92.6 | -48.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 74 | D | 39.9 | Very low | 38.4 | Very low | 159 Ų | 159 | 123.1 Ų | 123.1 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | 175 | 141.6 | 124.6 | -88.1 | -32.7 | 0 | 0 | 0 | 112.7 | |||||
| 75 | R | 40.5 | Very low | 38.4 | Very low | 183 Ų | 183 | 119.5 Ų | 119.5 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | trans | -67 | 159 | -173 | -167.8 | 157.8 | -176 | -171.9 | 1.1 | 112.1 | N77 | R75-N77 HydrophobicContact CG-CB 4.1Å; R75-N77 VanDerWaalsContact NE-CB 3.27Å; R75-N77 PolarHBondContact NE-OD1 2.92Å; R75-N77 PolarHBondContact NH2-ND2 3.32Å; R75-N77 PolarHBondContact NH2-OD1 3.44Å | ||
| 76 | P | 42.5 | Very low | 38.7 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | -125.5 | 138.5 | 97.3 | 12.2 | 6.1 | 0 | 0 | 0 | 111.9 | I78 | P76-I78 PolarHBondContact O-N 2.71Š| |||
| 77 | N | 40.9 | Very low | 38.9 | Very low | 88 Ų | 88 | 122.1 Ų | 122.1 | 47% | 0.471 | 73% | 0.727 | S | S | . | * | trans | -65.8 | 116.8 | -176.3 | -167.1 | 35.2 | 0 | 0 | 0 | 108 | R75 D79 | R75-N77 HydrophobicContact CG-CB 4.1Å; R75-N77 VanDerWaalsContact NE-CB 3.27Å; R75-N77 PolarHBondContact NE-OD1 2.92Å; R75-N77 PolarHBondContact NH2-ND2 3.32Å; R75-N77 PolarHBondContact NH2-OD1 3.44Å; N77-D79 PolarHBondContact O-N 3.05Å | ||
| 78 | I | 47.1 | Very low | 39.6 | Very low | 157 Ų | 157 | 122.5 Ų | 122.5 | 81% | 0.805 | 72% | 0.716 | S | S | * | * | trans | -77.4 | 83.8 | 164.6 | -50.1 | 179.9 | 0 | 0 | 0 | 105.4 | P76 S80 | P76-I78 PolarHBondContact O-N 2.71Å; I78-S80 PolarHBondContact O-N 2.91Å | ||
| 79 | D | 39.1 | Very low | 39.8 | Very low | 104 Ų | 104 | 117 Ų | 117 | 56% | 0.556 | 69% | 0.693 | S | S | * | * | trans | -61.2 | 119 | 174.2 | -154.5 | -1.5 | 0 | 0 | 0 | 107.9 | N77 T81 | N77-D79 PolarHBondContact O-N 3.05Å; D79-T81 PolarHBondContact O-N 2.89Å | ||
| 80 | S | 42 | Very low | 40.6 | Very low | 104 Ų | 104 | 116.2 Ų | 116.2 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 36.6 | -172.3 | -63.2 | 0 | 0 | 0 | 0 | 111.9 | I78 | I78-S80 PolarHBondContact O-N 2.91Š|
| 81 | T | 40.7 | Very low | 41.4 | Very low | 91 Ų | 91 | 116.4 Ų | 116.4 | 56% | 0.558 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | -6 | -168 | 48 | 0 | 0 | 0 | 0 | 115.2 | D79 | D79-T81 PolarHBondContact O-N 2.89Š|
| 82 | D | 39.3 | Very low | 41.8 | Very low | 148 Ų | 148 | 115.1 Ų | 115.1 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | trans | -105.5 | 41.6 | 172.2 | -83.1 | -31.5 | 0 | 0 | 0 | 113 | V84 | D82-V84 PolarHBondContact O-N 3.42Š| ||
| 83 | V | 41.4 | Very low | 42.5 | Very low | 122 Ų | 122 | 116.8 Ų | 116.8 | 74% | 0.739 | 67% | 0.668 | S | S | * | * | trans | -74.1 | 43.7 | 151.1 | -152.5 | 0 | 0 | 0 | 0 | 109 | S85 | V83-S85 PolarHBondContact O-N 2.7Å; V83-S85 PolarHBondContact O-OG 2.94Å | ||
| 84 | V | 38.7 | Very low | 43.4 | Very low | 99 Ų | 99 | 118 Ų | 118 | 60% | 0.6 | 67% | 0.67 | S | S | * | * | trans | -82.6 | 82.4 | 172.3 | 179.7 | 0 | 0 | 0 | 0 | 106 | D82 N86 | D82-V84 PolarHBondContact O-N 3.42Å; V84-N86 PolarHBondContact O-N 2.82Å | ||
| 85 | S | 38.7 | Very low | 43.1 | Very low | 116 Ų | 116 | 112.9 Ų | 112.9 | 81% | 0.811 | 65% | 0.654 | S | S | * | * | 31.7 | 32.9 | 116.7 | -58.5 | 0 | 0 | 0 | 0 | 118 | V83 A87 | V83-S85 PolarHBondContact O-N 2.7Å; V83-S85 PolarHBondContact O-OG 2.94Å; S85-A87 VanDerWaalsContact C-N 3.26Å; S85-A87 PolarHBondContact O-N 3.06Å | |||
| 86 | N | 41.1 | Very low | 43.2 | Very low | 125 Ų | 125 | 109.1 Ų | 109.1 | 67% | 0.668 | 66% | 0.655 | S | S | * | * | trans | -90.5 | 80.3 | 166.5 | -157.8 | 53.2 | 0 | 0 | 0 | 106.8 | V84 T88 | V84-N86 PolarHBondContact O-N 2.82Å; N86-T88 PolarHBondContact O-N 2.5Å; N86-T88 PolarHBondContact O-OG1 2.88Å | ||
| 87 | A | 41.6 | Very low | 43 | Very low | 94 Ų | 94 | 107.6 Ų | 107.6 | 78% | 0.777 | 65% | 0.648 | S | S | * | * | trans | -54.2 | 83.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | S85 S89 | S85-A87 VanDerWaalsContact C-N 3.26Å; S85-A87 PolarHBondContact O-N 3.06Å; A87-S89 PolarHBondContact O-N 3.39Å | ||
| 88 | T | 45.4 | Very low | 42.9 | Very low | 75 Ų | 75 | 109.6 Ų | 109.6 | 46% | 0.46 | 66% | 0.664 | S | S | . | * | trans | -76.9 | 82.4 | 164.3 | 16.4 | 0 | 0 | 0 | 0 | 106.7 | N86 D92 | N86-T88 PolarHBondContact O-N 2.5Å; N86-T88 PolarHBondContact O-OG1 2.88Å; T88-D92 HydrophobicContact CG2-CB 4.15Å; T88-D92 WeakPolarHBondContact CG2-OD2 3.42Å | ||
| 89 | S | 38.2 | Very low | 42.5 | Very low | 65 Ų | 65 | 110.2 Ų | 110.2 | 46% | 0.455 | 67% | 0.669 | S | S | . | * | trans | 0.5 | 127.7 | 149.7 | -129 | 0 | 0 | 0 | 0 | 112.4 | A87 E91 D92 | A87-S89 PolarHBondContact O-N 3.39Å; S89-E91 WeakPolarHBondContact CA-OE2 3.43Å; S89-E91 WeakPolarHBondContact CB-OE2 3.29Å; S89-E91 PolarHBondContact O-N 3.41Å; S89-E91 PolarHBondContact OG-OE2 3.47Å; S89-D92 WeakPolarHBondContact O-CB 2.92Å; S89-D92 PolarHBondContact O-N 3.01Å | ||
| 90 | V | 48.4 | Very low | 42.5 | Very low | 100 Ų | 100 | 109.9 Ų | 109.9 | 61% | 0.606 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | -21.2 | 175.5 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | L93 L94 | V90-L93 PolarHBondContact O-N 3.43Å; V90-L94 HydrophobicContact CG1-CD1 3.81Å; V90-L94 WeakPolarHBondContact O-CD1 3.44Å; V90-L94 PolarHBondContact O-N 3.4Å |
| 91 | E | 50.6 | Low | 42.3 | Very low | 124 Ų | 124 | 111.9 Ų | 111.9 | 58% | 0.579 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -32.2 | 171.5 | -61.8 | 72.8 | -157.2 | 0 | 0 | 114.4 | S89 L93 L94 G95 | S89-E91 WeakPolarHBondContact CA-OE2 3.43Å; S89-E91 WeakPolarHBondContact CB-OE2 3.29Å; S89-E91 PolarHBondContact O-N 3.41Å; S89-E91 PolarHBondContact OG-OE2 3.47Å; E91-L93 VanDerWaalsContact C-N 3.31Å; E91-L94 PolarHBondContact O-N 3.13Å; E91-G95 PolarHBondContact O-N 2.99Å |
| 92 | D | 47.4 | Very low | 42.5 | Very low | 112 Ų | 112 | 114.2 Ų | 114.2 | 60% | 0.599 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -21.7 | 176.9 | -154.1 | 35.2 | 0 | 0 | 0 | 112.2 | T88 S89 | T88-D92 HydrophobicContact CG2-CB 4.15Å; T88-D92 WeakPolarHBondContact CG2-OD2 3.42Å; S89-D92 WeakPolarHBondContact O-CB 2.92Å; S89-D92 PolarHBondContact O-N 3.01Å |
| 93 | L | 51.9 | Low | 42.4 | Very low | 148 Ų | 148 | 113.6 Ų | 113.6 | 78% | 0.775 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -14.9 | 170.3 | -84 | 132.4 | 0 | 0 | 0 | 113.2 | V90 E91 | V90-L93 PolarHBondContact O-N 3.43Å; E91-L93 VanDerWaalsContact C-N 3.31Å |
| 94 | L | 55.5 | Low | 42.5 | Very low | 141 Ų | 141 | 110.3 Ų | 110.3 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | -6 | -167.9 | -85.6 | 145.2 | 0 | 0 | 0 | 115.4 | V90 E91 | V90-L94 HydrophobicContact CG1-CD1 3.81Å; V90-L94 WeakPolarHBondContact O-CD1 3.44Å; V90-L94 PolarHBondContact O-N 3.4Å; E91-L94 PolarHBondContact O-N 3.13Å |
| 95 | G | 34.5 | Very low | 42.5 | Very low | 50 Ų | 50 | 112 Ų | 112 | 52% | 0.515 | 70% | 0.695 | S | S | . | * | trans | 162.4 | 163.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | E91 | E91-G95 PolarHBondContact O-N 2.99Š| ||
| 96 | S | 41.8 | Very low | 42.8 | Very low | 104 Ų | 104 | 115.2 Ų | 115.2 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | trans | 93.2 | 90.3 | 169 | -165.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 97 | S | 38.6 | Very low | 42.8 | Very low | 92 Ų | 92 | 113.1 Ų | 113.1 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | 67.7 | 107.7 | 106.4 | 128.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 98 | T | 38.1 | Very low | 43.1 | Very low | 131 Ų | 131 | 113 Ų | 113 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | 175.5 | 107.1 | 65.5 | 10.8 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 99 | N | 40.2 | Very low | 42.9 | Very low | 170 Ų | 170 | 118.2 Ų | 118.2 | 91% | 0.909 | 69% | 0.688 | S | S | * | * | trans | -150.9 | 103 | 147.3 | -135.1 | -12.7 | 0 | 0 | 0 | 109.6 | ||||
| 100 | A | 38.2 | Very low | 43.4 | Very low | 96 Ų | 96 | 119.1 Ų | 119.1 | 79% | 0.793 | 69% | 0.691 | S | S | * | * | trans | -67.7 | 131.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 101 | N | 38 | Very low | 43.4 | Very low | 147 Ų | 147 | 122.4 Ų | 122.4 | 79% | 0.786 | 70% | 0.697 | S | S | * | * | trans | 160.6 | 78.2 | 130.5 | -162.5 | 21.5 | 0 | 0 | 0 | 110.8 | ||||
| 102 | N | 44.8 | Very low | 43.4 | Very low | 139 Ų | 139 | 120.9 Ų | 120.9 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 166.6 | 85.5 | 143 | -96.2 | 1.7 | 0 | 0 | 0 | 109.6 | G104 | N102-G104 PolarHBondContact O-N 3.4Š|
| 103 | T | 38.1 | Very low | 43.6 | Very low | 136 Ų | 136 | 120 Ų | 120 | 83% | 0.834 | 69% | 0.691 | S | S | * | * | trans | 35.8 | 37.7 | 135.7 | 42.7 | 0 | 0 | 0 | 0 | 119.9 | T105 | T103-T105 VanDerWaalsContact C-N 3.32Å; T103-T105 PolarHBondContact O-N 3.06Å | ||
| 104 | G | 41.8 | Very low | 43.5 | Very low | 53 Ų | 53 | 115.6 Ų | 115.6 | 55% | 0.546 | 68% | 0.676 | S | S | . | * | trans | -74.8 | 84.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | N102 F106 | N102-G104 PolarHBondContact O-N 3.4Å; G104-F106 PolarHBondContact O-N 3.2Å | ||
| 105 | T | 39.9 | Very low | 43.3 | Very low | 133 Ų | 133 | 112.7 Ų | 112.7 | 82% | 0.816 | 67% | 0.666 | S | S | * | * | trans | -68.6 | 73.4 | 166.1 | -43.9 | 0 | 0 | 0 | 0 | 108 | T103 N107 | T103-T105 VanDerWaalsContact C-N 3.32Å; T103-T105 PolarHBondContact O-N 3.06Å; T105-N107 VanDerWaalsContact C-N 3.27Å; T105-N107 PolarHBondContact O-N 3Å | ||
| 106 | F | 45 | Very low | 44.2 | Very low | 184 Ų | 184 | 116.5 Ų | 116.5 | 81% | 0.807 | 67% | 0.671 | S | S | * | * | trans | -65 | 98.2 | 164.7 | -75.2 | -79.3 | 0 | 0 | 0 | 106.3 | G104 S108 | G104-F106 PolarHBondContact O-N 3.2Å; F106-S108 PolarHBondContact O-N 3.18Å | ||
| 107 | N | 41.9 | Very low | 44.8 | Very low | 82 Ų | 82 | 117 Ų | 117 | 44% | 0.439 | 66% | 0.664 | S | S | . | * | trans | -63.6 | 91.4 | 173 | -172.3 | -3.5 | 0 | 0 | 0 | 107.7 | T105 R109 T110 | T105-N107 VanDerWaalsContact C-N 3.27Å; T105-N107 PolarHBondContact O-N 3Å; N107-R109 PolarHBondContact O-N 2.89Å; N107-R109 WeakPolarHBondContact OD1-CB 3.1Å; N107-R109 VanDerWaalsContact OD1-CG 3.3Å; N107-R109 WeakPolarHBondContact OD1-CG 3.44Å; N107-R109 PolarHBondContact OD1-N 3.42Å; N107-R109 VanDerWaalsContact OD1-N 3.15Å; N107-T110 WeakPolarHBondContact O-CB 3.49Å; N107-T110 PolarHBondContact O-N 2.65Å; N107-T110 PolarHBondContact O-OG1 2.97Å | ||
| 108 | S | 46.7 | Very low | 45.6 | Very low | 92 Ų | 92 | 118 Ų | 118 | 64% | 0.643 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -10.7 | 174.8 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | F106 | F106-S108 PolarHBondContact O-N 3.18Š|
| 109 | R | 41.8 | Very low | 46.3 | Very low | 183 Ų | 183 | 117 Ų | 117 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -28.6 | 171.3 | -50.7 | -178.4 | 170.3 | -144.3 | -2.9 | 112.5 | N107 F111 V112 I113 | N107-R109 PolarHBondContact O-N 2.89Å; N107-R109 WeakPolarHBondContact OD1-CB 3.1Å; N107-R109 VanDerWaalsContact OD1-CG 3.3Å; N107-R109 WeakPolarHBondContact OD1-CG 3.44Å; N107-R109 PolarHBondContact OD1-N 3.42Å; N107-R109 VanDerWaalsContact OD1-N 3.15Å; R109-F111 VanDerWaalsContact C-N 3.27Å; R109-F111 PolarHBondContact O-N 2.78Å; R109-V112 PolarHBondContact O-N 3.15Å; R109-V112 VanDerWaalsContact O-N 3.13Å; R109-I113 HydrophobicContact CB-CD1 4.03Å; R109-I113 VanDerWaalsContact O-CD1 3.28Å; R109-I113 WeakPolarHBondContact O-CD1 3.39Å; R109-I113 WeakPolarHBondContact O-CG1 3.47Å; R109-I113 PolarHBondContact O-N 2.99Å |
| 110 | T | 48.5 | Very low | 47 | Very low | 84 Ų | 84 | 112.1 Ų | 112.1 | 52% | 0.515 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -61.3 | -37.2 | 179.9 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | N107 V112 I113 A114 | N107-T110 WeakPolarHBondContact O-CB 3.49Å; N107-T110 PolarHBondContact O-N 2.65Å; N107-T110 PolarHBondContact O-OG1 2.97Å; T110-V112 VanDerWaalsContact C-N 3.31Å; T110-V112 PolarHBondContact O-N 3.31Å; T110-I113 PolarHBondContact O-N 3.29Å; T110-A114 PolarHBondContact O-N 2.76Å |
| 111 | F | 48.1 | Very low | 47.9 | Very low | 169 Ų | 169 | 114.2 Ų | 114.2 | 74% | 0.741 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.9 | -24.4 | 178.7 | -80.9 | -84 | 0 | 0 | 0 | 113.7 | R109 P115 | R109-F111 VanDerWaalsContact C-N 3.27Å; R109-F111 PolarHBondContact O-N 2.78Å; F111-P115 VanDerWaalsContact O-CD 3.29Å; F111-P115 WeakPolarHBondContact O-CD 3.04Å |
| 112 | V | 51.5 | Low | 48.7 | Very low | 93 Ų | 93 | 112.8 Ų | 112.8 | 56% | 0.564 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -93.5 | -25 | 178.1 | -171 | 0 | 0 | 0 | 0 | 111.9 | R109 T110 P115 M116 | R109-V112 PolarHBondContact O-N 3.15Å; R109-V112 VanDerWaalsContact O-N 3.13Å; T110-V112 VanDerWaalsContact C-N 3.31Å; T110-V112 PolarHBondContact O-N 3.31Å; V112-P115 WeakPolarHBondContact O-CD 3.39Å; V112-M116 WeakPolarHBondContact O-CG 3.28Å |
| 113 | I | 50.5 | Low | 48.8 | Very low | 92 Ų | 92 | 116.8 Ų | 116.8 | 47% | 0.472 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -73.5 | -34.7 | 179.5 | -66.7 | 160.3 | 0 | 0 | 0 | 111.5 | R109 T110 M116 M117 | R109-I113 HydrophobicContact CB-CD1 4.03Å; R109-I113 VanDerWaalsContact O-CD1 3.28Å; R109-I113 WeakPolarHBondContact O-CD1 3.39Å; R109-I113 WeakPolarHBondContact O-CG1 3.47Å; R109-I113 PolarHBondContact O-N 2.99Å; T110-I113 PolarHBondContact O-N 3.29Å; I113-M116 PolarHBondContact O-N 3.32Å; I113-M117 HydrophobicContact CG2-CG 3.93Å; I113-M117 WeakPolarHBondContact O-CG 3.28Å; I113-M117 PolarHBondContact O-N 2.93Å |
| 114 | A | 50.6 | Low | 49.4 | Very low | 56 Ų | 56 | 115.8 Ų | 115.8 | 46% | 0.463 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.1 | -45.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T110 M116 I118 | T110-A114 PolarHBondContact O-N 2.76Å; A114-M116 PolarHBondContact O-N 3.22Å; A114-I118 WeakPolarHBondContact O-CD1 3.11Å; A114-I118 VanDerWaalsContact O-CG1 3.32Å; A114-I118 WeakPolarHBondContact O-CG1 3.13Å; A114-I118 PolarHBondContact O-N 2.91Å |
| 115 | P | 50.6 | Low | 49.8 | Very low | 81 Ų | 81 | 119.1 Ų | 119.1 | 53% | 0.526 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.4 | -36.3 | 173.9 | -20.3 | 31 | 0 | 0 | 0 | 113.4 | F111 V112 I118 L119 | F111-P115 VanDerWaalsContact O-CD 3.29Å; F111-P115 WeakPolarHBondContact O-CD 3.04Å; V112-P115 WeakPolarHBondContact O-CD 3.39Å; P115-I118 PolarHBondContact O-N 2.94Å; P115-L119 PolarHBondContact O-N 2.74Å; P115-L119 VanDerWaalsContact O-N 3.12Å |
| 116 | M | 54 | Low | 50.3 | Low | 129 Ų | 129 | 118.3 Ų | 118.3 | 64% | 0.635 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.4 | -38.2 | -179.4 | -75.3 | -83.5 | 176.3 | 0 | 0 | 112.4 | V112 I113 A114 L119 A120 | V112-M116 WeakPolarHBondContact O-CG 3.28Å; I113-M116 PolarHBondContact O-N 3.32Å; A114-M116 PolarHBondContact O-N 3.22Å; M116-L119 PolarHBondContact O-N 3.39Å; M116-A120 PolarHBondContact O-N 2.77Å; M116-A120 VanDerWaalsContact O-N 3.15Å |
| 117 | M | 54.1 | Low | 50.7 | Low | 116 Ų | 116 | 114.5 Ų | 114.5 | 57% | 0.571 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.1 | -38.2 | 175.2 | -79.5 | -69.8 | -69.7 | 0 | 0 | 112.1 | I113 A120 L121 | I113-M117 HydrophobicContact CG2-CG 3.93Å; I113-M117 WeakPolarHBondContact O-CG 3.28Å; I113-M117 PolarHBondContact O-N 2.93Å; M117-A120 PolarHBondContact O-N 2.81Å; M117-L121 WeakPolarHBondContact O-CD1 3.42Å; M117-L121 PolarHBondContact O-N 2.74Å |
| 118 | I | 55.4 | Low | 51.2 | Low | 113 Ų | 113 | 116.5 Ų | 116.5 | 58% | 0.579 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.2 | -38.6 | 177.1 | -64.9 | 165 | 0 | 0 | 0 | 110.7 | A114 P115 A120 L121 V122 | A114-I118 WeakPolarHBondContact O-CD1 3.11Å; A114-I118 VanDerWaalsContact O-CG1 3.32Å; A114-I118 WeakPolarHBondContact O-CG1 3.13Å; A114-I118 PolarHBondContact O-N 2.91Å; P115-I118 PolarHBondContact O-N 2.94Å; I118-A120 VanDerWaalsContact C-N 3.33Å; I118-A120 PolarHBondContact O-N 2.9Å; I118-L121 PolarHBondContact O-N 3.06Å; I118-V122 WeakPolarHBondContact O-CG2 3.3Å |
| 119 | L | 52.7 | Low | 51.5 | Low | 108 Ų | 108 | 118.1 Ų | 118.1 | 57% | 0.565 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.9 | -31.5 | 177.5 | -167.7 | 62.4 | 0 | 0 | 0 | 112.8 | P115 M116 L121 V122 | P115-L119 PolarHBondContact O-N 2.74Å; P115-L119 VanDerWaalsContact O-N 3.12Å; M116-L119 PolarHBondContact O-N 3.39Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-V122 PolarHBondContact O-N 3.26Å |
| 120 | A | 55.1 | Low | 52.2 | Low | 68 Ų | 68 | 113.5 Ų | 113.5 | 56% | 0.562 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -75.4 | -16.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | M116 M117 I118 | M116-A120 PolarHBondContact O-N 2.77Å; M116-A120 VanDerWaalsContact O-N 3.15Å; M117-A120 PolarHBondContact O-N 2.81Å; I118-A120 VanDerWaalsContact C-N 3.33Å; I118-A120 PolarHBondContact O-N 2.9Å |
| 121 | L | 56.3 | Low | 52.5 | Low | 140 Ų | 140 | 115.8 Ų | 115.8 | 73% | 0.733 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -9 | 175.4 | -82.6 | 149 | 0 | 0 | 0 | 113.1 | M117 I118 L119 | M117-L121 WeakPolarHBondContact O-CD1 3.42Å; M117-L121 PolarHBondContact O-N 2.74Å; I118-L121 PolarHBondContact O-N 3.06Å; L119-L121 VanDerWaalsContact C-N 3.32Å |
| 122 | V | 55.5 | Low | 52.8 | Low | 118 Ų | 118 | 111.3 Ų | 111.3 | 72% | 0.715 | 62% | 0.619 | S | S | * | * | trans | -107.6 | -1.2 | -174.1 | 177.9 | 0 | 0 | 0 | 0 | 112.4 | I118 L119 | I118-V122 WeakPolarHBondContact O-CG2 3.3Å; L119-V122 PolarHBondContact O-N 3.26Å | ||
| 123 | Q | 47.7 | Very low | 53 | Low | 222 Ų | 222 | 113 Ų | 113 | 100% | 1.037 | 62% | 0.624 | S | S | * | * | trans | -97.4 | 0 | 170 | -65.5 | -171.9 | -15.8 | 0 | 0 | 111.2 |
Retrieved 123 of 123 residues in 24.7 ms
(Link to these results)