| 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 | 65.3 | Low | 77.1 | Confident | 220 Ų | 220 | 129.7 Ų | 129.7 | 100% | 1.084 | 64% | 0.64 | S | S | * | * | 0 | 109.6 | 0 | -63.7 | -57.3 | 143.3 | 0 | 0 | 107.9 | L3 | M1-L3 PolarHBondContact O-N 2.89Å; M1-L3 VanDerWaalsContact O-N 3.11Å | |||
| 2 | P | 72.1 | Confident | 76.8 | Confident | 97 Ų | 97 | 123.6 Ų | 123.6 | 63% | 0.63 | 63% | 0.625 | S | S | * | * | trans | -75.3 | 102.7 | -167.7 | 28.6 | -31.7 | 0 | 0 | 0 | 110.8 | W4 V5 | P2-W4 PolarHBondContact O-N 3.41Å; P2-W4 VanDerWaalsContact O-N 3.1Å; P2-V5 HydrophobicContact CB-CG2 4.46Å; P2-V5 HydrophobicContact CG-CG2 4.05Å; P2-V5 WeakPolarHBondContact O-CG2 3.35Å; P2-V5 PolarHBondContact O-N 3.19Å | ||
| 3 | L | 77.1 | Confident | 75.8 | Confident | 142 Ų | 142 | 124.4 Ų | 124.4 | 74% | 0.743 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -16.4 | 175.6 | -69.9 | 166.6 | 0 | 0 | 0 | 113.3 | M1 V5 F6 F7 | M1-L3 PolarHBondContact O-N 2.89Å; M1-L3 VanDerWaalsContact O-N 3.11Å; L3-V5 VanDerWaalsContact C-N 3.31Å; L3-V5 PolarHBondContact O-N 2.96Å; L3-F6 WeakPolarHBondContact O-CB 3.39Å; L3-F6 PolarHBondContact O-N 3.48Å; L3-F6 VanDerWaalsContact O-N 3.13Å; L3-F7 PolarHBondContact O-N 2.99Å |
| 4 | W | 80.2 | Confident | 74.8 | Confident | 189 Ų | 189 | 119.5 Ų | 119.5 | 72% | 0.716 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.1 | -31.5 | -179.1 | -168.4 | 65.2 | 0 | 0 | 0 | 113.6 | P2 F6 F7 F8 | P2-W4 PolarHBondContact O-N 3.41Å; P2-W4 VanDerWaalsContact O-N 3.1Å; W4-F6 VanDerWaalsContact C-N 3.34Å; W4-F6 PolarHBondContact O-N 3.49Å; W4-F7 PolarHBondContact O-N 2.91Å; W4-F8 HydrophobicContact CZ2-CD2 4.49Å; W4-F8 PolarHBondContact O-N 3.47Å |
| 5 | V | 81 | Confident | 73.9 | Confident | 80 Ų | 80 | 117.5 Ų | 117.5 | 49% | 0.485 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.8 | -31.1 | 173.8 | -90.1 | 0 | 0 | 0 | 0 | 112.5 | P2 L3 F8 V9 | P2-V5 HydrophobicContact CB-CG2 4.46Å; P2-V5 HydrophobicContact CG-CG2 4.05Å; P2-V5 WeakPolarHBondContact O-CG2 3.35Å; P2-V5 PolarHBondContact O-N 3.19Å; L3-V5 VanDerWaalsContact C-N 3.31Å; L3-V5 PolarHBondContact O-N 2.96Å; V5-F8 PolarHBondContact O-N 3.33Å; V5-V9 WeakPolarHBondContact O-CB 3.49Å; V5-V9 VanDerWaalsContact O-CG2 3.25Å; V5-V9 WeakPolarHBondContact O-CG2 3.37Å; V5-V9 PolarHBondContact O-N 3.49Å |
| 6 | F | 79 | Confident | 73 | Confident | 142 Ų | 142 | 116.7 Ų | 116.7 | 62% | 0.623 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.8 | -41.1 | 173.1 | -88 | -84.8 | 0 | 0 | 0 | 111.4 | L3 W4 F8 V9 I10 | L3-F6 WeakPolarHBondContact O-CB 3.39Å; L3-F6 PolarHBondContact O-N 3.48Å; L3-F6 VanDerWaalsContact O-N 3.13Å; W4-F6 VanDerWaalsContact C-N 3.34Å; W4-F6 PolarHBondContact O-N 3.49Å; F6-F8 VanDerWaalsContact C-N 3.31Å; F6-F8 PolarHBondContact O-N 3.23Å; F6-V9 PolarHBondContact O-N 3.07Å; F6-I10 WeakPolarHBondContact O-CB 3.3Å; F6-I10 WeakPolarHBondContact O-CD1 3.29Å; F6-I10 WeakPolarHBondContact O-CG1 3.37Å; F6-I10 PolarHBondContact O-N 2.92Å |
| 7 | F | 79.3 | Confident | 72 | Confident | 139 Ų | 139 | 114.6 Ų | 114.6 | 61% | 0.61 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.1 | -41.7 | 175.3 | -162.4 | -93.1 | 0 | 0 | 0 | 111.3 | L3 W4 I10 L11 | L3-F7 PolarHBondContact O-N 2.99Å; W4-F7 PolarHBondContact O-N 2.91Å; F7-I10 PolarHBondContact O-N 3.35Å; F7-L11 WeakPolarHBondContact O-CB 3.33Å; F7-L11 PolarHBondContact O-N 3.33Å |
| 8 | F | 80.4 | Confident | 70.9 | Confident | 125 Ų | 125 | 117.3 Ų | 117.3 | 55% | 0.548 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.2 | -37.9 | 177.9 | -146.7 | -87.2 | 0 | 0 | 0 | 112.8 | W4 V5 F6 L11 A12 | W4-F8 HydrophobicContact CZ2-CD2 4.49Å; W4-F8 PolarHBondContact O-N 3.47Å; V5-F8 PolarHBondContact O-N 3.33Å; F6-F8 VanDerWaalsContact C-N 3.31Å; F6-F8 PolarHBondContact O-N 3.23Å; F8-L11 PolarHBondContact O-N 3.32Å; F8-A12 VanDerWaalsContact O-CB 3.28Å; F8-A12 WeakPolarHBondContact O-CB 3.21Å; F8-A12 PolarHBondContact O-N 3.32Å |
| 9 | V | 80.1 | Confident | 69.6 | Low | 92 Ų | 92 | 117.4 Ų | 117.4 | 56% | 0.558 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.1 | -43.5 | 175.4 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | V5 F6 L11 A12 L13 | V5-V9 WeakPolarHBondContact O-CB 3.49Å; V5-V9 VanDerWaalsContact O-CG2 3.25Å; V5-V9 WeakPolarHBondContact O-CG2 3.37Å; V5-V9 PolarHBondContact O-N 3.49Å; F6-V9 PolarHBondContact O-N 3.07Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-A12 PolarHBondContact O-N 3.41Å; V9-L13 VanDerWaalsContact O-CB 3.3Å; V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 PolarHBondContact O-N 2.92Å |
| 10 | I | 77.8 | Confident | 68.8 | Low | 101 Ų | 101 | 116.5 Ų | 116.5 | 52% | 0.518 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.3 | -40.2 | 176.4 | -66.9 | 165.9 | 0 | 0 | 0 | 110.5 | F6 F7 L13 S14 | F6-I10 WeakPolarHBondContact O-CB 3.3Å; F6-I10 WeakPolarHBondContact O-CD1 3.29Å; F6-I10 WeakPolarHBondContact O-CG1 3.37Å; F6-I10 PolarHBondContact O-N 2.92Å; F7-I10 PolarHBondContact O-N 3.35Å; I10-L13 PolarHBondContact O-N 3.47Å; I10-S14 VanDerWaalsContact O-CB 3.32Å; I10-S14 WeakPolarHBondContact O-CB 3.28Å; I10-S14 PolarHBondContact O-N 2.98Å; I10-S14 PolarHBondContact O-OG 2.91Å |
| 11 | L | 76.2 | Confident | 68 | Low | 100 Ų | 100 | 116.5 Ų | 116.5 | 52% | 0.524 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.3 | -40.6 | 177.8 | -169.7 | 65.8 | 0 | 0 | 0 | 112 | F7 F8 V9 S14 S15 | F7-L11 WeakPolarHBondContact O-CB 3.33Å; F7-L11 PolarHBondContact O-N 3.33Å; F8-L11 PolarHBondContact O-N 3.32Å; V9-L11 VanDerWaalsContact C-N 3.34Å; L11-S14 PolarHBondContact O-N 3.48Å; L11-S15 WeakPolarHBondContact O-CB 3.33Å; L11-S15 PolarHBondContact O-N 2.93Å |
| 12 | A | 73.5 | Confident | 67.7 | Low | 56 Ų | 56 | 109.9 Ų | 109.9 | 46% | 0.463 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.4 | -38.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | F8 V9 S15 S16 | F8-A12 VanDerWaalsContact O-CB 3.28Å; F8-A12 WeakPolarHBondContact O-CB 3.21Å; F8-A12 PolarHBondContact O-N 3.32Å; V9-A12 PolarHBondContact O-N 3.41Å; A12-S15 PolarHBondContact O-N 2.72Å; A12-S16 PolarHBondContact O-N 3.44Å |
| 13 | L | 62.9 | Low | 67 | Low | 134 Ų | 134 | 109.2 Ų | 109.2 | 70% | 0.702 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.6 | -35.7 | 177.5 | -154.7 | 70.8 | 0 | 0 | 0 | 112 | V9 I10 | V9-L13 VanDerWaalsContact O-CB 3.3Å; V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 PolarHBondContact O-N 2.92Å; I10-L13 PolarHBondContact O-N 3.47Å |
| 14 | S | 62.3 | Low | 66 | Low | 56 Ų | 56 | 106 Ų | 106 | 39% | 0.392 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -72 | -33.7 | 175.2 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | I10 L11 S16 S17 | I10-S14 VanDerWaalsContact O-CB 3.32Å; I10-S14 WeakPolarHBondContact O-CB 3.28Å; I10-S14 PolarHBondContact O-N 2.98Å; I10-S14 PolarHBondContact O-OG 2.91Å; L11-S14 PolarHBondContact O-N 3.48Å; S14-S16 VanDerWaalsContact C-N 3.28Å; S14-S16 PolarHBondContact O-N 3.34Å; S14-S17 PolarHBondContact O-N 2.93Å; S14-S17 PolarHBondContact O-OG 2.87Å; S14-S17 VanDerWaalsContact O-OG 3.08Å |
| 15 | S | 62 | Low | 64.8 | Low | 89 Ų | 89 | 103.1 Ų | 103.1 | 62% | 0.622 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.1 | -31.2 | 176.3 | -169.1 | 0 | 0 | 0 | 0 | 112.3 | L11 A12 S17 | L11-S15 WeakPolarHBondContact O-CB 3.33Å; L11-S15 PolarHBondContact O-N 2.93Å; A12-S15 PolarHBondContact O-N 2.72Å; S15-S17 PolarHBondContact O-N 3.49Å |
| 16 | S | 58.4 | Low | 63.5 | Low | 105 Ų | 105 | 104.2 Ų | 104.2 | 73% | 0.734 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -8.1 | 178.3 | -165.3 | 0 | 0 | 0 | 0 | 114.6 | A12 S14 | A12-S16 PolarHBondContact O-N 3.44Å; S14-S16 VanDerWaalsContact C-N 3.28Å; S14-S16 PolarHBondContact O-N 3.34Å |
| 17 | S | 57.2 | Low | 62.3 | Low | 82 Ų | 82 | 101.8 Ų | 101.8 | 57% | 0.573 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 10.8 | -174.7 | 63.7 | 0 | 0 | 0 | 0 | 115 | S14 S15 C19 | S14-S17 PolarHBondContact O-N 2.93Å; S14-S17 PolarHBondContact O-OG 2.87Å; S14-S17 VanDerWaalsContact O-OG 3.08Å; S15-S17 PolarHBondContact O-N 3.49Å; S17-C19 PolarHBondContact O-N 3.45Å |
| 18 | H | 51.4 | Low | 61.2 | Low | 163 Ų | 163 | 103.8 Ų | 103.8 | 76% | 0.755 | 61% | 0.605 | S | S | * | * | trans | -81.5 | 45.6 | 170.8 | -65.3 | -66.5 | 0 | 0 | 0 | 112.3 | S20 | H18-S20 PolarHBondContact O-N 3.25Š| ||
| 19 | C | 46.7 | Very low | 60.1 | Low | 118 Ų | 118 | 104.6 Ų | 104.6 | 80% | 0.797 | 61% | 0.612 | S | S | * | * | trans | -80.4 | 84.4 | 161.3 | -153.8 | 0 | 0 | 0 | 0 | 106.9 | S17 | S17-C19 PolarHBondContact O-N 3.45Š| ||
| 20 | S | 53.2 | Low | 59.1 | Low | 100 Ų | 100 | 108.8 Ų | 108.8 | 70% | 0.699 | 62% | 0.617 | S | S | * | * | trans | -50.6 | 129.5 | 169.6 | -159.2 | 0 | 0 | 0 | 0 | 108.1 | H18 S22 | H18-S20 PolarHBondContact O-N 3.25Å; S20-S22 PolarHBondContact O-N 3.38Å | ||
| 21 | P | 52.4 | Low | 58.3 | Low | 116 Ų | 116 | 113 Ų | 113 | 75% | 0.753 | 63% | 0.627 | S | S | * | * | trans | -64 | 101.9 | 179 | 24.9 | -29.6 | 0 | 0 | 0 | 107.4 | P23 | P21-P23 VanDerWaalsContact O-N 3.15Š| ||
| 22 | S | 58.1 | Low | 57.7 | Low | 82 Ų | 82 | 116 Ų | 116 | 57% | 0.573 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 122.9 | 166.7 | 144.6 | 0 | 0 | 0 | 0 | 107 | S20 | S20-S22 PolarHBondContact O-N 3.38Š|
| 23 | P | 57.6 | Low | 57.4 | Low | 82 Ų | 82 | 115.2 Ų | 115.2 | 53% | 0.532 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -55 | 137.3 | 178.6 | 22.6 | -31.3 | 0 | 0 | 0 | 108.1 | P21 L25 | P21-P23 VanDerWaalsContact O-N 3.15Å; P23-L25 PolarHBondContact O-N 3.28Å |
| 24 | P | 55.4 | Low | 57.8 | Low | 76 Ų | 76 | 113.3 Ų | 113.3 | 49% | 0.494 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 131.6 | -172.5 | 21.3 | -32 | 0 | 0 | 0 | 108.7 | T26 L27 | P24-T26 PolarHBondContact O-N 2.97Å; P24-L27 HydrophobicContact CG-CD1 4.02Å; P24-L27 PolarHBondContact O-N 2.98Å |
| 25 | L | 55.8 | Low | 58.4 | Low | 128 Ų | 128 | 113.4 Ų | 113.4 | 67% | 0.67 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -49.3 | -24.2 | -173.9 | -68.2 | 162.6 | 0 | 0 | 0 | 112.9 | P23 R28 M29 | P23-L25 PolarHBondContact O-N 3.28Å; L25-R28 PolarHBondContact O-N 3.08Å; L25-M29 PolarHBondContact O-N 3.45Å |
| 26 | T | 53.4 | Low | 59 | Low | 103 Ų | 103 | 113.1 Ų | 113.1 | 63% | 0.632 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.4 | -38.5 | 174.3 | 59.1 | 0 | 0 | 0 | 0 | 114 | P24 R30 | P24-T26 PolarHBondContact O-N 2.97Å; T26-R30 WeakPolarHBondContact O-CB 3.4Å; T26-R30 PolarHBondContact O-N 3.32Å |
| 27 | L | 54.8 | Low | 59.5 | Low | 90 Ų | 90 | 115.1 Ų | 115.1 | 47% | 0.471 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.1 | -33.8 | 175.9 | -90.2 | 164.6 | 0 | 0 | 0 | 111.8 | P24 R31 | P24-L27 HydrophobicContact CG-CD1 4.02Å; P24-L27 PolarHBondContact O-N 2.98Å; L27-R31 WeakPolarHBondContact O-CG 3.49Å; L27-R31 PolarHBondContact O-N 2.92Å |
| 28 | R | 56 | Low | 60.5 | Low | 182 Ų | 182 | 114.8 Ų | 114.8 | 69% | 0.687 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.3 | -42.2 | 177.4 | -150.1 | 178.4 | -160.6 | 152.9 | 2.6 | 111 | L25 Y32 | L25-R28 PolarHBondContact O-N 3.08Å; R28-Y32 PolarHBondContact O-N 3.28Å; R28-Y32 VanDerWaalsContact O-N 3.13Å |
| 29 | M | 57.7 | Low | 61.9 | Low | 141 Ų | 141 | 111 Ų | 111 | 70% | 0.695 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.3 | -40.6 | 175.9 | -125.9 | 71.8 | -177.5 | 0 | 0 | 112.4 | L25 R31 Y32 A33 | L25-M29 PolarHBondContact O-N 3.45Å; M29-R31 PolarHBondContact O-N 3.44Å; M29-Y32 PolarHBondContact O-N 2.89Å; M29-A33 PolarHBondContact O-N 3.21Å |
| 30 | R | 58.4 | Low | 63.6 | Low | 180 Ų | 180 | 108.2 Ų | 108.2 | 68% | 0.679 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.1 | -45.6 | 177.2 | -171.5 | 80.7 | -178.4 | -169.1 | 1.5 | 112 | T26 Y32 A33 D34 | T26-R30 WeakPolarHBondContact O-CB 3.4Å; T26-R30 PolarHBondContact O-N 3.32Å; R30-Y32 VanDerWaalsContact C-N 3.32Å; R30-Y32 PolarHBondContact O-N 3.44Å; R30-A33 PolarHBondContact O-N 3.29Å; R30-D34 PolarHBondContact O-N 3.49Å; R30-D34 VanDerWaalsContact O-N 3.08Å |
| 31 | R | 61.1 | Low | 65.1 | Low | 189 Ų | 189 | 111.2 Ų | 111.2 | 71% | 0.713 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.6 | -32.6 | 177.1 | -69.2 | -175.5 | -171.5 | -169 | 3.4 | 112.7 | L27 M29 A35 | L27-R31 WeakPolarHBondContact O-CG 3.49Å; L27-R31 PolarHBondContact O-N 2.92Å; M29-R31 PolarHBondContact O-N 3.44Å; R31-A35 WeakPolarHBondContact O-CB 3.45Å; R31-A35 PolarHBondContact O-N 2.98Å |
| 32 | Y | 63.2 | Low | 66.6 | Low | 164 Ų | 164 | 114.6 Ų | 114.6 | 64% | 0.643 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.6 | -43.8 | 176.1 | -162.2 | -96.8 | 0 | 0 | 0 | 111.6 | R28 M29 R30 A35 I36 | R28-Y32 PolarHBondContact O-N 3.28Å; R28-Y32 VanDerWaalsContact O-N 3.13Å; M29-Y32 PolarHBondContact O-N 2.89Å; R30-Y32 VanDerWaalsContact C-N 3.32Å; R30-Y32 PolarHBondContact O-N 3.44Å; Y32-A35 PolarHBondContact O-N 2.96Å; Y32-I36 HydrophobicContact CD1-CG1 4.09Å; Y32-I36 HydrophobicContact CE1-CD1 4.07Å; Y32-I36 HydrophobicContact CE1-CG1 3.98Å; Y32-I36 WeakPolarHBondContact O-CG1 3.39Å; Y32-I36 PolarHBondContact O-N 2.96Å |
| 33 | A | 66.7 | Low | 68.1 | Low | 40 Ų | 40 | 116.8 Ų | 116.8 | 33% | 0.331 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.8 | -48 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M29 R30 A35 I36 F37 | M29-A33 PolarHBondContact O-N 3.21Å; R30-A33 PolarHBondContact O-N 3.29Å; A33-A35 VanDerWaalsContact C-N 3.3Å; A33-A35 PolarHBondContact O-N 3.13Å; A33-I36 PolarHBondContact O-N 3.5Å; A33-F37 HydrophobicContact CB-CE2 4.43Å; A33-F37 WeakPolarHBondContact O-CD2 3.28Å; A33-F37 PolarHBondContact O-N 3.34Å |
| 34 | D | 71.2 | Confident | 69.7 | Low | 94 Ų | 94 | 117 Ų | 117 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.5 | -38.9 | 177.4 | -90.8 | -12.9 | 0 | 0 | 0 | 112.3 | R30 T38 | R30-D34 PolarHBondContact O-N 3.49Å; R30-D34 VanDerWaalsContact O-N 3.08Å; D34-T38 WeakPolarHBondContact O-CB 3.46Å; D34-T38 PolarHBondContact O-N 3.26Å; D34-T38 PolarHBondContact O-OG1 2.7Å |
| 35 | A | 76.1 | Confident | 71.2 | Confident | 58 Ų | 58 | 117.2 Ų | 117.2 | 48% | 0.479 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.9 | -39.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R31 Y32 A33 N39 | R31-A35 WeakPolarHBondContact O-CB 3.45Å; R31-A35 PolarHBondContact O-N 2.98Å; Y32-A35 PolarHBondContact O-N 2.96Å; A33-A35 VanDerWaalsContact C-N 3.3Å; A33-A35 PolarHBondContact O-N 3.13Å; A35-N39 WeakPolarHBondContact O-CB 3.49Å; A35-N39 PolarHBondContact O-N 3.41Å |
| 36 | I | 73.8 | Confident | 72.8 | Confident | 82 Ų | 82 | 112.9 Ų | 112.9 | 42% | 0.421 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.7 | -48.6 | 177.7 | -69 | -83.7 | 0 | 0 | 0 | 110.8 | Y32 A33 S40 | Y32-I36 HydrophobicContact CD1-CG1 4.09Å; Y32-I36 HydrophobicContact CE1-CD1 4.07Å; Y32-I36 HydrophobicContact CE1-CG1 3.98Å; Y32-I36 WeakPolarHBondContact O-CG1 3.39Å; Y32-I36 PolarHBondContact O-N 2.96Å; A33-I36 PolarHBondContact O-N 3.5Å; I36-S40 VanDerWaalsContact O-CB 3.29Å; I36-S40 WeakPolarHBondContact O-CB 3.33Å; I36-S40 PolarHBondContact O-N 3.23Å; I36-S40 PolarHBondContact O-OG 2.93Å |
| 37 | F | 68.9 | Low | 74.7 | Confident | 147 Ų | 147 | 114 Ų | 114 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69 | -42.5 | -179.6 | -70.9 | -63.4 | 0 | 0 | 0 | 111.6 | A33 N39 S40 Y41 | A33-F37 HydrophobicContact CB-CE2 4.43Å; A33-F37 WeakPolarHBondContact O-CD2 3.28Å; A33-F37 PolarHBondContact O-N 3.34Å; F37-N39 PolarHBondContact O-N 3.34Å; F37-S40 PolarHBondContact O-N 2.84Å; F37-Y41 WeakPolarHBondContact O-CB 3.49Å; F37-Y41 PolarHBondContact O-N 3.47Å |
| 38 | T | 78.8 | Confident | 76.6 | Confident | 75 Ų | 75 | 113.7 Ų | 113.7 | 46% | 0.46 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 177.5 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | D34 R42 | D34-T38 WeakPolarHBondContact O-CB 3.46Å; D34-T38 PolarHBondContact O-N 3.26Å; D34-T38 PolarHBondContact O-OG1 2.7Å; T38-R42 WeakPolarHBondContact O-CB 3.34Å; T38-R42 VanDerWaalsContact O-CG 3.31Å; T38-R42 WeakPolarHBondContact O-CG 3.28Å; T38-R42 PolarHBondContact O-N 3.29Å |
| 39 | N | 81.1 | Confident | 78.3 | Confident | 85 Ų | 85 | 108.3 Ų | 108.3 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.5 | -47.5 | 177.7 | -173.2 | -5.4 | 0 | 0 | 0 | 111.3 | A35 F37 Y41 R42 K43 | A35-N39 WeakPolarHBondContact O-CB 3.49Å; A35-N39 PolarHBondContact O-N 3.41Å; F37-N39 PolarHBondContact O-N 3.34Å; N39-Y41 PolarHBondContact O-N 3.45Å; N39-R42 PolarHBondContact O-N 3.07Å; N39-K43 WeakPolarHBondContact O-CG 3.38Å; N39-K43 PolarHBondContact O-N 2.97Å; N39-K43 WeakPolarHBondContact OD1-CE 3.48Å |
| 40 | S | 82.1 | Confident | 80 | Confident | 59 Ų | 59 | 103.8 Ų | 103.8 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 178.6 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | I36 F37 K43 V44 | I36-S40 VanDerWaalsContact O-CB 3.29Å; I36-S40 WeakPolarHBondContact O-CB 3.33Å; I36-S40 PolarHBondContact O-N 3.23Å; I36-S40 PolarHBondContact O-OG 2.93Å; F37-S40 PolarHBondContact O-N 2.84Å; S40-K43 WeakPolarHBondContact O-CB 3.48Å; S40-K43 PolarHBondContact O-N 3.47Å; S40-V44 WeakPolarHBondContact O-CG2 3.42Å; S40-V44 PolarHBondContact O-N 2.86Å |
| 41 | Y | 84.1 | Confident | 81.6 | Confident | 162 Ų | 162 | 103.6 Ų | 103.6 | 64% | 0.635 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.4 | -45.7 | 176.8 | -177.4 | -109.7 | 0 | 0 | 0 | 111.8 | F37 N39 K43 V44 L45 | F37-Y41 WeakPolarHBondContact O-CB 3.49Å; F37-Y41 PolarHBondContact O-N 3.47Å; N39-Y41 PolarHBondContact O-N 3.45Å; Y41-K43 VanDerWaalsContact C-N 3.32Å; Y41-K43 PolarHBondContact O-N 2.76Å; Y41-V44 PolarHBondContact O-N 3.08Å; Y41-L45 HydrophobicContact CD1-CD1 3.64Å; Y41-L45 HydrophobicContact CD2-CD1 4.47Å; Y41-L45 HydrophobicContact CE1-CD1 3.2Å; Y41-L45 HydrophobicContact CE1-CG 4.41Å; Y41-L45 HydrophobicContact CE2-CD1 4.12Å; Y41-L45 HydrophobicContact CG-CD1 4.26Å; Y41-L45 VanDerWaalsContact CZ-CD1 3.46Å; Y41-L45 WeakPolarHBondContact O-CB 3.45Å; Y41-L45 PolarHBondContact O-N 2.89Å |
| 42 | R | 84.5 | Confident | 83.1 | Confident | 188 Ų | 188 | 100.7 Ų | 100.7 | 71% | 0.709 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.6 | -39.1 | 174.1 | -77.6 | 178.8 | 136.5 | -176.5 | -4.5 | 112.6 | T38 N39 G46 | T38-R42 WeakPolarHBondContact O-CB 3.34Å; T38-R42 VanDerWaalsContact O-CG 3.31Å; T38-R42 WeakPolarHBondContact O-CG 3.28Å; T38-R42 PolarHBondContact O-N 3.29Å; N39-R42 PolarHBondContact O-N 3.07Å; R42-G46 PolarHBondContact O-N 3.42Å |
| 43 | K | 89.5 | Confident | 84.5 | Confident | 127 Ų | 127 | 97.9 Ų | 97.9 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.4 | -45 | 176.1 | -75.1 | 175.4 | 174.9 | 178.7 | 0 | 112.2 | N39 S40 Y41 G46 Q47 | N39-K43 WeakPolarHBondContact O-CG 3.38Å; N39-K43 PolarHBondContact O-N 2.97Å; N39-K43 WeakPolarHBondContact OD1-CE 3.48Å; S40-K43 WeakPolarHBondContact O-CB 3.48Å; S40-K43 PolarHBondContact O-N 3.47Å; Y41-K43 VanDerWaalsContact C-N 3.32Å; Y41-K43 PolarHBondContact O-N 2.76Å; K43-G46 PolarHBondContact O-N 2.76Å; K43-Q47 WeakPolarHBondContact O-CG 3.41Å; K43-Q47 PolarHBondContact O-N 3.19Å |
| 44 | V | 90.5 | Very high | 85.7 | Confident | 88 Ų | 88 | 101 Ų | 101 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 178 | 173.3 | 0 | 0 | 0 | 0 | 111 | S40 Y41 Q47 L48 | S40-V44 WeakPolarHBondContact O-CG2 3.42Å; S40-V44 PolarHBondContact O-N 2.86Å; Y41-V44 PolarHBondContact O-N 3.08Å; V44-Q47 PolarHBondContact O-N 2.91Å; V44-L48 WeakPolarHBondContact O-CB 3.33Å; V44-L48 PolarHBondContact O-N 2.77Å |
| 45 | L | 88 | Confident | 86.7 | Confident | 80 Ų | 80 | 103 Ų | 103 | 42% | 0.419 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 173.1 | -84.6 | 161.9 | 0 | 0 | 0 | 112.8 | Y41 L48 S49 | Y41-L45 HydrophobicContact CD1-CD1 3.64Å; Y41-L45 HydrophobicContact CD2-CD1 4.47Å; Y41-L45 HydrophobicContact CE1-CD1 3.2Å; Y41-L45 HydrophobicContact CE1-CG 4.41Å; Y41-L45 HydrophobicContact CE2-CD1 4.12Å; Y41-L45 HydrophobicContact CG-CD1 4.26Å; Y41-L45 VanDerWaalsContact CZ-CD1 3.46Å; Y41-L45 WeakPolarHBondContact O-CB 3.45Å; Y41-L45 PolarHBondContact O-N 2.89Å; L45-L48 PolarHBondContact O-N 3.5Å; L45-S49 WeakPolarHBondContact O-CB 3.17Å; L45-S49 PolarHBondContact O-N 2.85Å; L45-S49 PolarHBondContact O-OG 3.49Å |
| 46 | G | 89.2 | Confident | 87.4 | Confident | 36 Ų | 36 | 103.5 Ų | 103.5 | 37% | 0.371 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | R42 K43 S49 A50 | R42-G46 PolarHBondContact O-N 3.42Å; K43-G46 PolarHBondContact O-N 2.76Å; G46-S49 WeakPolarHBondContact CA-OG 3.31Å; G46-S49 PolarHBondContact O-OG 3.23Å; G46-A50 VanDerWaalsContact O-CB 3.25Å; G46-A50 WeakPolarHBondContact O-CB 3.38Å; G46-A50 PolarHBondContact O-N 2.84Å |
| 47 | Q | 93.2 | Very high | 88.2 | Confident | 126 Ų | 126 | 104 Ų | 104 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.4 | -41.3 | 175.2 | -73.1 | 178.5 | -27.4 | 0 | 0 | 112.3 | K43 V44 R51 | K43-Q47 WeakPolarHBondContact O-CG 3.41Å; K43-Q47 PolarHBondContact O-N 3.19Å; V44-Q47 PolarHBondContact O-N 2.91Å; Q47-R51 WeakPolarHBondContact O-CB 3.38Å; Q47-R51 VanDerWaalsContact O-CG 3.23Å; Q47-R51 WeakPolarHBondContact O-CG 3.46Å; Q47-R51 PolarHBondContact O-N 3.46Å |
| 48 | L | 93.9 | Very high | 89 | Confident | 85 Ų | 85 | 102.5 Ų | 102.5 | 45% | 0.445 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.5 | -42.2 | -179.9 | -173.2 | 64 | 0 | 0 | 0 | 111.7 | V44 L45 R51 K52 | V44-L48 WeakPolarHBondContact O-CB 3.33Å; V44-L48 PolarHBondContact O-N 2.77Å; L45-L48 PolarHBondContact O-N 3.5Å; L48-R51 PolarHBondContact O-N 3.16Å; L48-K52 WeakPolarHBondContact O-CG 3.32Å; L48-K52 PolarHBondContact O-N 3.29Å |
| 49 | S | 91.5 | Very high | 89.1 | Confident | 69 Ų | 69 | 102.2 Ų | 102.2 | 48% | 0.483 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 175.6 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | L45 G46 R51 K52 L53 | L45-S49 WeakPolarHBondContact O-CB 3.17Å; L45-S49 PolarHBondContact O-N 2.85Å; L45-S49 PolarHBondContact O-OG 3.49Å; G46-S49 WeakPolarHBondContact CA-OG 3.31Å; G46-S49 PolarHBondContact O-OG 3.23Å; S49-R51 VanDerWaalsContact C-N 3.34Å; S49-R51 PolarHBondContact O-N 3.13Å; S49-K52 PolarHBondContact O-N 2.81Å; S49-L53 WeakPolarHBondContact O-CB 3.33Å; S49-L53 PolarHBondContact O-N 2.88Å |
| 50 | A | 93.6 | Very high | 89.1 | Confident | 46 Ų | 46 | 105.6 Ų | 105.6 | 38% | 0.38 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G46 L53 L54 | G46-A50 VanDerWaalsContact O-CB 3.25Å; G46-A50 WeakPolarHBondContact O-CB 3.38Å; G46-A50 PolarHBondContact O-N 2.84Å; A50-L53 PolarHBondContact O-N 3.29Å; A50-L54 WeakPolarHBondContact O-CB 3.23Å; A50-L54 WeakPolarHBondContact O-CD1 3.47Å; A50-L54 WeakPolarHBondContact O-CG 3.33Å; A50-L54 PolarHBondContact O-N 2.97Å |
| 51 | R | 92.9 | Very high | 88.9 | Confident | 175 Ų | 175 | 107.3 Ų | 107.3 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.8 | -45.3 | 175.5 | -79.5 | 177.8 | 174.9 | -147.9 | -0.6 | 112.3 | Q47 L48 S49 L53 L54 Q55 | Q47-R51 WeakPolarHBondContact O-CB 3.38Å; Q47-R51 VanDerWaalsContact O-CG 3.23Å; Q47-R51 WeakPolarHBondContact O-CG 3.46Å; Q47-R51 PolarHBondContact O-N 3.46Å; L48-R51 PolarHBondContact O-N 3.16Å; S49-R51 VanDerWaalsContact C-N 3.34Å; S49-R51 PolarHBondContact O-N 3.13Å; R51-L53 VanDerWaalsContact C-N 3.34Å; R51-L54 PolarHBondContact O-N 2.91Å; R51-Q55 WeakPolarHBondContact O-CB 3.48Å; R51-Q55 WeakPolarHBondContact O-CG 3.27Å; R51-Q55 PolarHBondContact O-N 3.28Å |
| 52 | K | 92.9 | Very high | 88.3 | Confident | 129 Ų | 129 | 106 Ų | 106 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.3 | -40.4 | 176.4 | -76.2 | 179.2 | 178.5 | 177.8 | 0 | 111.8 | L48 S49 Q55 D56 | L48-K52 WeakPolarHBondContact O-CG 3.32Å; L48-K52 PolarHBondContact O-N 3.29Å; S49-K52 PolarHBondContact O-N 2.81Å; K52-Q55 PolarHBondContact O-N 2.89Å; K52-D56 WeakPolarHBondContact O-CB 3.26Å; K52-D56 PolarHBondContact O-N 3.38Å |
| 53 | L | 91.6 | Very high | 87.7 | Confident | 105 Ų | 105 | 98.9 Ų | 98.9 | 55% | 0.55 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 176.5 | -178.7 | 64 | 0 | 0 | 0 | 111.8 | S49 A50 R51 Q55 D56 I57 | S49-L53 WeakPolarHBondContact O-CB 3.33Å; S49-L53 PolarHBondContact O-N 2.88Å; A50-L53 PolarHBondContact O-N 3.29Å; R51-L53 VanDerWaalsContact C-N 3.34Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 3.33Å; L53-D56 PolarHBondContact O-N 2.88Å; L53-I57 HydrophobicContact CD1-CD1 4.16Å; L53-I57 HydrophobicContact CD1-CG1 4.46Å; L53-I57 HydrophobicContact CG-CD1 3.98Å; L53-I57 VanDerWaalsContact O-CG1 3.3Å; L53-I57 WeakPolarHBondContact O-CG1 3.34Å; L53-I57 PolarHBondContact O-N 2.91Å |
| 54 | L | 92.4 | Very high | 86.7 | Confident | 105 Ų | 105 | 99 Ų | 99 | 55% | 0.55 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.4 | -44 | 174.8 | -82.3 | 156.3 | 0 | 0 | 0 | 111.5 | A50 R51 I57 M58 | A50-L54 WeakPolarHBondContact O-CB 3.23Å; A50-L54 WeakPolarHBondContact O-CD1 3.47Å; A50-L54 WeakPolarHBondContact O-CG 3.33Å; A50-L54 PolarHBondContact O-N 2.97Å; R51-L54 PolarHBondContact O-N 2.91Å; L54-I57 PolarHBondContact O-N 3.47Å; L54-M58 WeakPolarHBondContact O-CB 3.14Å; L54-M58 VanDerWaalsContact O-CG 3.23Å; L54-M58 WeakPolarHBondContact O-CG 3.31Å; L54-M58 PolarHBondContact O-N 3.03Å |
| 55 | Q | 91.4 | Very high | 85.4 | Confident | 135 Ų | 135 | 101.7 Ų | 101.7 | 63% | 0.631 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 175.2 | -77.7 | -179.9 | -14.8 | 0 | 0 | 112.3 | R51 K52 L53 M58 S59 | R51-Q55 WeakPolarHBondContact O-CB 3.48Å; R51-Q55 WeakPolarHBondContact O-CG 3.27Å; R51-Q55 PolarHBondContact O-N 3.28Å; K52-Q55 PolarHBondContact O-N 2.89Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 3.33Å; Q55-M58 PolarHBondContact O-N 3.17Å; Q55-S59 WeakPolarHBondContact O-CB 3.48Å; Q55-S59 PolarHBondContact O-N 2.86Å; Q55-S59 PolarHBondContact O-OG 2.95Å |
| 56 | D | 91.3 | Very high | 84.2 | Confident | 70 Ų | 70 | 103.4 Ų | 103.4 | 37% | 0.374 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 176.3 | -172.3 | 61.6 | 0 | 0 | 0 | 110.9 | K52 L53 M58 S59 R60 | K52-D56 WeakPolarHBondContact O-CB 3.26Å; K52-D56 PolarHBondContact O-N 3.38Å; L53-D56 PolarHBondContact O-N 2.88Å; D56-M58 PolarHBondContact O-N 3.34Å; D56-S59 PolarHBondContact O-N 3.32Å; D56-S59 PolarHBondContact O-OG 3.45Å; D56-R60 WeakPolarHBondContact O-CB 3.37Å; D56-R60 VanDerWaalsContact O-CG 3.31Å; D56-R60 WeakPolarHBondContact O-CG 3.34Å; D56-R60 PolarHBondContact O-N 3.45Å; D56-R60 IonicContact OD1-NE 2.91Å; D56-R60 IonicContact OD2-CZ 2.89Å; D56-R60 IonicContact OD2-NE 3.87Å; D56-R60 PolarHBondContact OD2-NE 3.45Å; D56-R60 IonicContact OD2-NH2 3.81Å |
| 57 | I | 90.4 | Very high | 83.2 | Confident | 93 Ų | 93 | 109 Ų | 109 | 48% | 0.477 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 178.1 | -65.7 | 167.2 | 0 | 0 | 0 | 111.2 | L53 L54 R60 Q61 | L53-I57 HydrophobicContact CD1-CD1 4.16Å; L53-I57 HydrophobicContact CD1-CG1 4.46Å; L53-I57 HydrophobicContact CG-CD1 3.98Å; L53-I57 VanDerWaalsContact O-CG1 3.3Å; L53-I57 WeakPolarHBondContact O-CG1 3.34Å; L53-I57 PolarHBondContact O-N 2.91Å; L54-I57 PolarHBondContact O-N 3.47Å; I57-R60 PolarHBondContact O-N 2.88Å; I57-Q61 WeakPolarHBondContact O-CB 3.22Å; I57-Q61 PolarHBondContact O-N 2.87Å |
| 58 | M | 86.5 | Confident | 81.8 | Confident | 114 Ų | 114 | 107.8 Ų | 107.8 | 56% | 0.562 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.2 | -40.9 | 177.6 | -73.9 | 179.6 | 65.9 | 0 | 0 | 111.9 | L54 Q55 D56 Q61 Q62 | L54-M58 WeakPolarHBondContact O-CB 3.14Å; L54-M58 VanDerWaalsContact O-CG 3.23Å; L54-M58 WeakPolarHBondContact O-CG 3.31Å; L54-M58 PolarHBondContact O-N 3.03Å; Q55-M58 PolarHBondContact O-N 3.17Å; D56-M58 PolarHBondContact O-N 3.34Å; M58-Q61 PolarHBondContact O-N 2.82Å; M58-Q62 VanDerWaalsContact O-CB 3.26Å; M58-Q62 WeakPolarHBondContact O-CB 3.39Å; M58-Q62 PolarHBondContact O-N 3.04Å |
| 59 | S | 80.8 | Confident | 80.5 | Confident | 69 Ų | 69 | 112.7 Ų | 112.7 | 48% | 0.483 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 178.8 | 75 | 0 | 0 | 0 | 0 | 112 | Q55 D56 Q62 G63 | Q55-S59 WeakPolarHBondContact O-CB 3.48Å; Q55-S59 PolarHBondContact O-N 2.86Å; Q55-S59 PolarHBondContact O-OG 2.95Å; D56-S59 PolarHBondContact O-N 3.32Å; D56-S59 PolarHBondContact O-OG 3.45Å; S59-Q62 PolarHBondContact O-N 2.94Å; S59-G63 PolarHBondContact O-N 3.44Å |
| 60 | R | 80.3 | Confident | 79.5 | Confident | 156 Ų | 156 | 110.9 Ų | 110.9 | 59% | 0.589 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.3 | -51.4 | 173.6 | -72.9 | 172.2 | 177.7 | -96.1 | -2.8 | 110.9 | D56 I57 Q62 G63 E64 | D56-R60 WeakPolarHBondContact O-CB 3.37Å; D56-R60 VanDerWaalsContact O-CG 3.31Å; D56-R60 WeakPolarHBondContact O-CG 3.34Å; D56-R60 PolarHBondContact O-N 3.45Å; D56-R60 IonicContact OD1-NE 2.91Å; D56-R60 IonicContact OD2-CZ 2.89Å; D56-R60 IonicContact OD2-NE 3.87Å; D56-R60 PolarHBondContact OD2-NE 3.45Å; D56-R60 IonicContact OD2-NH2 3.81Å; I57-R60 PolarHBondContact O-N 2.88Å; R60-Q62 VanDerWaalsContact C-N 3.27Å; R60-Q62 PolarHBondContact O-N 2.77Å; R60-G63 PolarHBondContact O-N 3.24Å; R60-G63 VanDerWaalsContact O-N 3.17Å; R60-E64 WeakPolarHBondContact O-CB 3.2Å; R60-E64 WeakPolarHBondContact O-CG 3.41Å; R60-E64 PolarHBondContact O-N 3.25Å |
| 61 | Q | 78.3 | Confident | 78.5 | Confident | 95 Ų | 95 | 111 Ų | 111 | 44% | 0.444 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.5 | -36.6 | -179.7 | -170.2 | 179.3 | 59.2 | 0 | 0 | 112.3 | I57 M58 R65 | I57-Q61 WeakPolarHBondContact O-CB 3.22Å; I57-Q61 PolarHBondContact O-N 2.87Å; M58-Q61 PolarHBondContact O-N 2.82Å; Q61-R65 WeakPolarHBondContact O-CB 3.3Å; Q61-R65 VanDerWaalsContact O-CG 3.22Å; Q61-R65 WeakPolarHBondContact O-CG 3.41Å; Q61-R65 PolarHBondContact O-N 3.46Å |
| 62 | Q | 71.8 | Confident | 77.5 | Confident | 134 Ų | 134 | 110.7 Ų | 110.7 | 63% | 0.626 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -74.4 | -38 | 177.3 | -171.1 | 156.1 | -18.6 | 0 | 0 | 112.2 | M58 S59 R60 N66 | M58-Q62 VanDerWaalsContact O-CB 3.26Å; M58-Q62 WeakPolarHBondContact O-CB 3.39Å; M58-Q62 PolarHBondContact O-N 3.04Å; S59-Q62 PolarHBondContact O-N 2.94Å; R60-Q62 VanDerWaalsContact C-N 3.27Å; R60-Q62 PolarHBondContact O-N 2.77Å; Q62-N66 WeakPolarHBondContact O-CB 3.23Å; Q62-N66 PolarHBondContact O-N 3.23Å |
| 63 | G | 71 | Confident | 76.8 | Confident | 39 Ų | 39 | 106.6 Ų | 106.6 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S59 R60 N66 Q67 | S59-G63 PolarHBondContact O-N 3.44Å; R60-G63 PolarHBondContact O-N 3.24Å; R60-G63 VanDerWaalsContact O-N 3.17Å; G63-N66 PolarHBondContact O-N 3.45Å; G63-Q67 VanDerWaalsContact O-CB 3.31Å; G63-Q67 WeakPolarHBondContact O-CB 3.43Å; G63-Q67 PolarHBondContact O-N 2.88Å |
| 64 | E | 68.9 | Low | 76.1 | Confident | 129 Ų | 129 | 110.3 Ų | 110.3 | 60% | 0.603 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63 | -45.5 | 177.9 | -71 | 175.3 | 132.9 | 0 | 0 | 111.8 | R60 N66 Q67 E68 | R60-E64 WeakPolarHBondContact O-CB 3.2Å; R60-E64 WeakPolarHBondContact O-CG 3.41Å; R60-E64 PolarHBondContact O-N 3.25Å; E64-N66 VanDerWaalsContact C-N 3.31Å; E64-N66 PolarHBondContact O-N 2.9Å; E64-Q67 PolarHBondContact O-N 2.88Å; E64-E68 WeakPolarHBondContact O-CB 3.35Å; E64-E68 PolarHBondContact O-N 3.34Å |
| 65 | R | 64.2 | Low | 75.5 | Confident | 146 Ų | 146 | 110 Ų | 110 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.6 | -36.6 | 176.4 | -77.5 | 176.4 | 175.5 | -178.7 | 1.2 | 112.7 | Q61 R69 | Q61-R65 WeakPolarHBondContact O-CB 3.3Å; Q61-R65 VanDerWaalsContact O-CG 3.22Å; Q61-R65 WeakPolarHBondContact O-CG 3.41Å; Q61-R65 PolarHBondContact O-N 3.46Å; R65-R69 VanDerWaalsContact O-CB 3.23Å; R65-R69 WeakPolarHBondContact O-CB 3.49Å; R65-R69 WeakPolarHBondContact O-CG 3.32Å; R65-R69 PolarHBondContact O-N 2.94Å |
| 66 | N | 62.1 | Low | 75.1 | Confident | 115 Ų | 115 | 105 Ų | 105 | 62% | 0.615 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -75.8 | -37.6 | 179.7 | -148.7 | -14.6 | 0 | 0 | 0 | 111.2 | Q62 G63 E64 G70 | Q62-N66 WeakPolarHBondContact O-CB 3.23Å; Q62-N66 PolarHBondContact O-N 3.23Å; G63-N66 PolarHBondContact O-N 3.45Å; E64-N66 VanDerWaalsContact C-N 3.31Å; E64-N66 PolarHBondContact O-N 2.9Å; N66-G70 PolarHBondContact O-N 3.44Å |
| 67 | Q | 67.9 | Low | 74.8 | Confident | 153 Ų | 153 | 109.3 Ų | 109.3 | 72% | 0.715 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.5 | -43.4 | 174.1 | -171.9 | 160 | 28.9 | 0 | 0 | 112 | G63 E64 G70 A71 | G63-Q67 VanDerWaalsContact O-CB 3.31Å; G63-Q67 WeakPolarHBondContact O-CB 3.43Å; G63-Q67 PolarHBondContact O-N 2.88Å; E64-Q67 PolarHBondContact O-N 2.88Å; Q67-G70 PolarHBondContact O-N 3.43Å; Q67-A71 WeakPolarHBondContact O-CB 3.25Å; Q67-A71 PolarHBondContact O-N 3.44Å |
| 68 | E | 63.8 | Low | 74.7 | Confident | 102 Ų | 102 | 110.3 Ų | 110.3 | 48% | 0.477 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 176.4 | -164.6 | -169.2 | 163.5 | 0 | 0 | 111.4 | E64 G70 A71 R72 | E64-E68 WeakPolarHBondContact O-CB 3.35Å; E64-E68 PolarHBondContact O-N 3.34Å; E68-G70 VanDerWaalsContact C-N 3.32Å; E68-G70 PolarHBondContact O-N 3.4Å; E68-A71 PolarHBondContact O-N 3.28Å; E68-R72 HydrophobicContact CG-CG 4.36Å; E68-R72 VanDerWaalsContact O-CB 3.27Å; E68-R72 WeakPolarHBondContact O-CB 3.46Å; E68-R72 WeakPolarHBondContact O-CG 3.36Å; E68-R72 PolarHBondContact O-N 2.85Å; E68-R72 IonicContact OE1-CZ 2.76Å; E68-R72 IonicContact OE1-NE 3.55Å; E68-R72 PolarHBondContact OE1-NE 2.96Å; E68-R72 IonicContact OE1-NH2 3.6Å; E68-R72 PolarHBondContact OE1-NH2 2.87Å |
| 69 | R | 67.6 | Low | 74.7 | Confident | 188 Ų | 188 | 109.2 Ų | 109.2 | 71% | 0.709 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -40 | 172.4 | -77.8 | 175.8 | 177.5 | -157.9 | -1.2 | 111.8 | R65 A73 | R65-R69 VanDerWaalsContact O-CB 3.23Å; R65-R69 WeakPolarHBondContact O-CB 3.49Å; R65-R69 WeakPolarHBondContact O-CG 3.32Å; R65-R69 PolarHBondContact O-N 2.94Å; R69-A73 WeakPolarHBondContact O-CB 3.33Å; R69-A73 PolarHBondContact O-N 3.37Å |
| 70 | G | 69.8 | Low | 75.2 | Confident | 31 Ų | 31 | 111 Ų | 111 | 32% | 0.32 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N66 Q67 E68 R74 | N66-G70 PolarHBondContact O-N 3.44Å; Q67-G70 PolarHBondContact O-N 3.43Å; E68-G70 VanDerWaalsContact C-N 3.32Å; E68-G70 PolarHBondContact O-N 3.4Å; G70-R74 VanDerWaalsContact O-CG 3.28Å; G70-R74 WeakPolarHBondContact O-CG 3.48Å; G70-R74 PolarHBondContact O-N 2.92Å; G70-R74 VanDerWaalsContact O-N 3.13Å |
| 71 | A | 73 | Confident | 75.6 | Confident | 48 Ų | 48 | 106.5 Ų | 106.5 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.6 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q67 E68 R74 L75 | Q67-A71 WeakPolarHBondContact O-CB 3.25Å; Q67-A71 PolarHBondContact O-N 3.44Å; E68-A71 PolarHBondContact O-N 3.28Å; A71-R74 WeakPolarHBondContact O-CB 3.23Å; A71-R74 PolarHBondContact O-N 2.89Å; A71-L75 PolarHBondContact O-N 2.97Å |
| 72 | R | 71.9 | Confident | 76.4 | Confident | 168 Ų | 168 | 106.1 Ų | 106.1 | 63% | 0.634 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.5 | -36 | 174.3 | -77 | -175.1 | 175.7 | -111 | 1.7 | 112.4 | E68 R74 L75 G76 | E68-R72 HydrophobicContact CG-CG 4.36Å; E68-R72 VanDerWaalsContact O-CB 3.27Å; E68-R72 WeakPolarHBondContact O-CB 3.46Å; E68-R72 WeakPolarHBondContact O-CG 3.36Å; E68-R72 PolarHBondContact O-N 2.85Å; E68-R72 IonicContact OE1-CZ 2.76Å; E68-R72 IonicContact OE1-NE 3.55Å; E68-R72 PolarHBondContact OE1-NE 2.96Å; E68-R72 IonicContact OE1-NH2 3.6Å; E68-R72 PolarHBondContact OE1-NH2 2.87Å; R72-R74 VanDerWaalsContact C-N 3.3Å; R72-R74 PolarHBondContact O-N 3.25Å; R72-L75 PolarHBondContact O-N 3.32Å; R72-G76 PolarHBondContact O-N 3.39Å |
| 73 | A | 77.4 | Confident | 77.4 | Confident | 44 Ų | 44 | 107.6 Ų | 107.6 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.3 | -34 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R69 R77 | R69-A73 WeakPolarHBondContact O-CB 3.33Å; R69-A73 PolarHBondContact O-N 3.37Å; A73-R77 WeakPolarHBondContact O-CG 3.47Å; A73-R77 PolarHBondContact O-N 2.83Å |
| 74 | R | 77.2 | Confident | 78.4 | Confident | 183 Ų | 183 | 108.2 Ų | 108.2 | 69% | 0.691 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.5 | -44.2 | 173.6 | -70.9 | 170.4 | -174.5 | -135.6 | 2.2 | 111.7 | G70 A71 R72 Q78 | G70-R74 VanDerWaalsContact O-CG 3.28Å; G70-R74 WeakPolarHBondContact O-CG 3.48Å; G70-R74 PolarHBondContact O-N 2.92Å; G70-R74 VanDerWaalsContact O-N 3.13Å; A71-R74 WeakPolarHBondContact O-CB 3.23Å; A71-R74 PolarHBondContact O-N 2.89Å; R72-R74 VanDerWaalsContact C-N 3.3Å; R72-R74 PolarHBondContact O-N 3.25Å; R74-Q78 PolarHBondContact O-N 2.89Å; R74-Q78 VanDerWaalsContact O-N 3.08Å |
| 75 | L | 80.8 | Confident | 79.6 | Confident | 98 Ų | 98 | 107.2 Ų | 107.2 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 175.9 | -77.1 | 174.2 | 0 | 0 | 0 | 112.4 | A71 R72 R77 Q78 V79 | A71-L75 PolarHBondContact O-N 2.97Å; R72-L75 PolarHBondContact O-N 3.32Å; L75-R77 PolarHBondContact O-N 2.91Å; L75-Q78 PolarHBondContact O-N 2.96Å; L75-Q78 VanDerWaalsContact O-N 3.16Å; L75-V79 WeakPolarHBondContact O-CG2 3.11Å; L75-V79 PolarHBondContact O-N 2.95Å |
| 76 | G | 82.1 | Confident | 81.1 | Confident | 30 Ų | 30 | 105.7 Ų | 105.7 | 31% | 0.309 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.1 | -50.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R72 Q78 V79 D80 | R72-G76 PolarHBondContact O-N 3.39Å; G76-Q78 VanDerWaalsContact C-N 3.28Å; G76-Q78 PolarHBondContact O-N 3.32Å; G76-V79 PolarHBondContact O-N 3.21Å; G76-D80 WeakPolarHBondContact O-CB 3.48Å; G76-D80 PolarHBondContact O-N 3.01Å |
| 77 | R | 84.3 | Confident | 82.7 | Confident | 161 Ų | 161 | 104.3 Ų | 104.3 | 61% | 0.608 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.3 | -37.6 | 175 | -73.1 | -169 | -65.2 | -104.9 | 4.2 | 113.2 | A73 L75 S81 | A73-R77 WeakPolarHBondContact O-CG 3.47Å; A73-R77 PolarHBondContact O-N 2.83Å; L75-R77 PolarHBondContact O-N 2.91Å; R77-S81 WeakPolarHBondContact O-CB 3.41Å; R77-S81 PolarHBondContact O-N 3.07Å; R77-S81 PolarHBondContact O-OG 3.42Å |
| 78 | Q | 89.3 | Confident | 84 | Confident | 113 Ų | 113 | 102.6 Ų | 102.6 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.3 | -46.6 | 177.7 | -173.2 | 179.8 | 21.6 | 0 | 0 | 111.7 | R74 L75 G76 D80 S81 V82 | R74-Q78 PolarHBondContact O-N 2.89Å; R74-Q78 VanDerWaalsContact O-N 3.08Å; L75-Q78 PolarHBondContact O-N 2.96Å; L75-Q78 VanDerWaalsContact O-N 3.16Å; G76-Q78 VanDerWaalsContact C-N 3.28Å; G76-Q78 PolarHBondContact O-N 3.32Å; Q78-D80 VanDerWaalsContact C-N 3.33Å; Q78-D80 PolarHBondContact O-N 3.42Å; Q78-S81 WeakPolarHBondContact CA-OG 3.31Å; Q78-S81 PolarHBondContact O-N 3.49Å; Q78-S81 PolarHBondContact O-OG 2.81Å; Q78-V82 WeakPolarHBondContact O-CG2 3.36Å; Q78-V82 PolarHBondContact O-N 3.46Å |
| 79 | V | 87.1 | Confident | 85.4 | Confident | 91 Ų | 91 | 103 Ų | 103 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 178.1 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | L75 G76 S81 V82 W83 | L75-V79 WeakPolarHBondContact O-CG2 3.11Å; L75-V79 PolarHBondContact O-N 2.95Å; G76-V79 PolarHBondContact O-N 3.21Å; V79-S81 VanDerWaalsContact C-N 3.33Å; V79-S81 PolarHBondContact O-N 2.86Å; V79-V82 PolarHBondContact O-N 2.96Å; V79-W83 WeakPolarHBondContact O-CB 3.41Å; V79-W83 PolarHBondContact O-N 2.97Å |
| 80 | D | 90.4 | Very high | 86.8 | Confident | 107 Ų | 107 | 98.1 Ų | 98.1 | 57% | 0.572 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.8 | -40.4 | 177 | -66 | -24 | 0 | 0 | 0 | 111.4 | G76 Q78 W83 A84 | G76-D80 WeakPolarHBondContact O-CB 3.48Å; G76-D80 PolarHBondContact O-N 3.01Å; Q78-D80 VanDerWaalsContact C-N 3.33Å; Q78-D80 PolarHBondContact O-N 3.42Å; D80-W83 PolarHBondContact O-N 2.81Å; D80-A84 WeakPolarHBondContact O-CB 3.11Å; D80-A84 PolarHBondContact O-N 2.69Å |
| 81 | S | 89.7 | Confident | 88 | Confident | 62 Ų | 62 | 101.8 Ų | 101.8 | 43% | 0.434 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 175.5 | 67.4 | 0 | 0 | 0 | 0 | 113 | R77 Q78 V79 W83 A84 E85 | R77-S81 WeakPolarHBondContact O-CB 3.41Å; R77-S81 PolarHBondContact O-N 3.07Å; R77-S81 PolarHBondContact O-OG 3.42Å; Q78-S81 WeakPolarHBondContact CA-OG 3.31Å; Q78-S81 PolarHBondContact O-N 3.49Å; Q78-S81 PolarHBondContact O-OG 2.81Å; V79-S81 VanDerWaalsContact C-N 3.33Å; V79-S81 PolarHBondContact O-N 2.86Å; S81-W83 VanDerWaalsContact C-N 3.34Å; S81-A84 PolarHBondContact O-N 2.9Å; S81-E85 WeakPolarHBondContact O-CB 3.1Å; S81-E85 WeakPolarHBondContact O-CG 3.2Å; S81-E85 PolarHBondContact O-N 3.02Å |
| 82 | V | 94.9 | Very high | 89 | Confident | 86 Ų | 86 | 104.7 Ų | 104.7 | 52% | 0.521 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 176.8 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | Q78 V79 E85 Q86 | Q78-V82 WeakPolarHBondContact O-CG2 3.36Å; Q78-V82 PolarHBondContact O-N 3.46Å; V79-V82 PolarHBondContact O-N 2.96Å; V82-E85 PolarHBondContact O-N 3.08Å; V82-Q86 VanDerWaalsContact O-CB 3.28Å; V82-Q86 WeakPolarHBondContact O-CB 3.38Å; V82-Q86 PolarHBondContact O-N 3.13Å |
| 83 | W | 92.8 | Very high | 90.2 | Very high | 166 Ų | 166 | 99.9 Ų | 99.9 | 63% | 0.629 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 174.9 | 175.4 | -100.6 | 0 | 0 | 0 | 112 | V79 D80 S81 Q86 K87 | V79-W83 WeakPolarHBondContact O-CB 3.41Å; V79-W83 PolarHBondContact O-N 2.97Å; D80-W83 PolarHBondContact O-N 2.81Å; S81-W83 VanDerWaalsContact C-N 3.34Å; W83-Q86 PolarHBondContact O-N 3.24Å; W83-K87 HydrophobicContact CZ2-CG 4.34Å; W83-K87 WeakPolarHBondContact O-CB 3.29Å; W83-K87 PolarHBondContact O-N 3.03Å |
| 84 | A | 91.9 | Very high | 91 | Very high | 51 Ų | 51 | 101.7 Ų | 101.7 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D80 S81 K87 Q88 | D80-A84 WeakPolarHBondContact O-CB 3.11Å; D80-A84 PolarHBondContact O-N 2.69Å; S81-A84 PolarHBondContact O-N 2.9Å; A84-K87 PolarHBondContact O-N 3.49Å; A84-Q88 WeakPolarHBondContact O-CB 3.42Å; A84-Q88 PolarHBondContact O-N 3.42Å |
| 85 | E | 94.4 | Very high | 91.9 | Very high | 109 Ų | 109 | 98.1 Ų | 98.1 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 176.2 | -75.8 | -63.9 | 144 | 0 | 0 | 112.3 | S81 V82 K87 Q88 M89 | S81-E85 WeakPolarHBondContact O-CB 3.1Å; S81-E85 WeakPolarHBondContact O-CG 3.2Å; S81-E85 PolarHBondContact O-N 3.02Å; V82-E85 PolarHBondContact O-N 3.08Å; E85-K87 VanDerWaalsContact C-N 3.32Å; E85-K87 PolarHBondContact O-N 3.26Å; E85-Q88 PolarHBondContact O-N 3.48Å; E85-M89 HydrophobicContact CB-CE 4.32Å; E85-M89 PolarHBondContact O-N 3.01Å |
| 86 | Q | 95.5 | Very high | 92.6 | Very high | 114 Ų | 114 | 97.6 Ų | 97.6 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 175.9 | -177.5 | 67.7 | 31.3 | 0 | 0 | 111.3 | V82 W83 Q88 M89 E90 | V82-Q86 VanDerWaalsContact O-CB 3.28Å; V82-Q86 WeakPolarHBondContact O-CB 3.38Å; V82-Q86 PolarHBondContact O-N 3.13Å; W83-Q86 PolarHBondContact O-N 3.24Å; Q86-Q88 VanDerWaalsContact C-N 3.31Å; Q86-Q88 PolarHBondContact O-N 3.02Å; Q86-M89 PolarHBondContact O-N 2.98Å; Q86-E90 WeakPolarHBondContact O-CB 3.37Å; Q86-E90 PolarHBondContact O-N 3.03Å |
| 87 | K | 95 | Very high | 93.2 | Very high | 85 Ų | 85 | 98.8 Ų | 98.8 | 37% | 0.37 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 176.8 | -83.7 | -74.6 | 164.3 | -153.5 | 0 | 111.7 | W83 A84 E85 E90 L91 | W83-K87 HydrophobicContact CZ2-CG 4.34Å; W83-K87 WeakPolarHBondContact O-CB 3.29Å; W83-K87 PolarHBondContact O-N 3.03Å; A84-K87 PolarHBondContact O-N 3.49Å; E85-K87 VanDerWaalsContact C-N 3.32Å; E85-K87 PolarHBondContact O-N 3.26Å; K87-E90 IonicContact NZ-OE2 3.32Å; K87-E90 PolarHBondContact NZ-OE2 3.21Å; K87-E90 PolarHBondContact O-N 3.29Å; K87-L91 WeakPolarHBondContact O-CG 3.1Å; K87-L91 PolarHBondContact O-N 2.8Å; K87-L91 VanDerWaalsContact O-N 3.13Å |
| 88 | Q | 94.7 | Very high | 93.7 | Very high | 117 Ų | 117 | 96 Ų | 96 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 177.8 | -159.7 | 142.4 | -48.9 | 0 | 0 | 111.3 | A84 E85 Q86 E90 L91 E92 | A84-Q88 WeakPolarHBondContact O-CB 3.42Å; A84-Q88 PolarHBondContact O-N 3.42Å; E85-Q88 PolarHBondContact O-N 3.48Å; Q86-Q88 VanDerWaalsContact C-N 3.31Å; Q86-Q88 PolarHBondContact O-N 3.02Å; Q88-E90 VanDerWaalsContact C-N 3.32Å; Q88-E90 PolarHBondContact O-N 3.2Å; Q88-L91 PolarHBondContact O-N 3.36Å; Q88-E92 WeakPolarHBondContact O-CG 3.32Å; Q88-E92 PolarHBondContact O-N 3.35Å |
| 89 | M | 93.6 | Very high | 93.8 | Very high | 112 Ų | 112 | 96.8 Ų | 96.8 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.9 | -38.8 | 173.8 | -85 | -175.8 | -87.7 | 0 | 0 | 113.1 | E85 Q86 E92 S93 | E85-M89 HydrophobicContact CB-CE 4.32Å; E85-M89 PolarHBondContact O-N 3.01Å; Q86-M89 PolarHBondContact O-N 2.98Å; M89-E92 PolarHBondContact O-N 2.84Å; M89-S93 WeakPolarHBondContact O-CB 3.48Å; M89-S93 PolarHBondContact O-N 2.86Å; M89-S93 PolarHBondContact O-OG 3.49Å |
| 90 | E | 96.3 | Very high | 93.8 | Very high | 85 Ų | 85 | 98.1 Ų | 98.1 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -48 | 176.6 | -167.6 | -174 | -177.4 | 0 | 0 | 110.6 | Q86 K87 Q88 S93 I94 | Q86-E90 WeakPolarHBondContact O-CB 3.37Å; Q86-E90 PolarHBondContact O-N 3.03Å; K87-E90 IonicContact NZ-OE2 3.32Å; K87-E90 PolarHBondContact NZ-OE2 3.21Å; K87-E90 PolarHBondContact O-N 3.29Å; Q88-E90 VanDerWaalsContact C-N 3.32Å; Q88-E90 PolarHBondContact O-N 3.2Å; E90-S93 PolarHBondContact O-N 2.68Å; E90-S93 PolarHBondContact O-OG 3.3Å; E90-I94 HydrophobicContact CG-CD1 4.16Å; E90-I94 WeakPolarHBondContact O-CD1 3.21Å; E90-I94 VanDerWaalsContact O-CG1 3.28Å; E90-I94 WeakPolarHBondContact O-CG1 3.33Å; E90-I94 PolarHBondContact O-N 3.46Å; E90-I94 VanDerWaalsContact O-N 3.08Å |
| 91 | L | 96 | Very high | 93.6 | Very high | 108 Ų | 108 | 100 Ų | 100 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.5 | -44.8 | 178.8 | -68.7 | 176.9 | 0 | 0 | 0 | 112.5 | K87 Q88 S93 I94 L95 | K87-L91 WeakPolarHBondContact O-CG 3.1Å; K87-L91 PolarHBondContact O-N 2.8Å; K87-L91 VanDerWaalsContact O-N 3.13Å; Q88-L91 PolarHBondContact O-N 3.36Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 3.08Å; L91-I94 PolarHBondContact O-N 3.42Å; L91-L95 PolarHBondContact O-N 3.5Å |
| 92 | E | 94.8 | Very high | 93.1 | Very high | 109 Ų | 109 | 103.7 Ų | 103.7 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 176.9 | -68.7 | -62.7 | 165 | 0 | 0 | 111.3 | Q88 M89 I94 L95 V96 | Q88-E92 WeakPolarHBondContact O-CG 3.32Å; Q88-E92 PolarHBondContact O-N 3.35Å; M89-E92 PolarHBondContact O-N 2.84Å; E92-I94 VanDerWaalsContact C-N 3.33Å; E92-I94 PolarHBondContact O-N 3Å; E92-L95 PolarHBondContact O-N 3.06Å; E92-V96 VanDerWaalsContact O-CG2 3.3Å; E92-V96 WeakPolarHBondContact O-CG2 3.43Å; E92-V96 PolarHBondContact O-N 2.87Å |
| 93 | S | 95.1 | Very high | 92.2 | Very high | 67 Ų | 67 | 103.2 Ų | 103.2 | 47% | 0.469 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 178.3 | 77.7 | 0 | 0 | 0 | 0 | 112.5 | M89 E90 L91 A97 | M89-S93 WeakPolarHBondContact O-CB 3.48Å; M89-S93 PolarHBondContact O-N 2.86Å; M89-S93 PolarHBondContact O-OG 3.49Å; E90-S93 PolarHBondContact O-N 2.68Å; E90-S93 PolarHBondContact O-OG 3.3Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 3.08Å; S93-A97 VanDerWaalsContact O-CB 3.29Å; S93-A97 WeakPolarHBondContact O-CB 3.21Å; S93-A97 PolarHBondContact O-N 3.46Å |
| 94 | I | 96.1 | Very high | 90.9 | Very high | 82 Ų | 82 | 104.4 Ų | 104.4 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.5 | -43.4 | 178 | -67.9 | 164.4 | 0 | 0 | 0 | 110.2 | E90 L91 E92 A97 L98 | E90-I94 HydrophobicContact CG-CD1 4.16Å; E90-I94 WeakPolarHBondContact O-CD1 3.21Å; E90-I94 VanDerWaalsContact O-CG1 3.28Å; E90-I94 WeakPolarHBondContact O-CG1 3.33Å; E90-I94 PolarHBondContact O-N 3.46Å; E90-I94 VanDerWaalsContact O-N 3.08Å; L91-I94 PolarHBondContact O-N 3.42Å; E92-I94 VanDerWaalsContact C-N 3.33Å; E92-I94 PolarHBondContact O-N 3Å; I94-A97 PolarHBondContact O-N 2.9Å; I94-L98 HydrophobicContact CG2-CD1 4.01Å; I94-L98 WeakPolarHBondContact O-CB 3.33Å; I94-L98 WeakPolarHBondContact O-CG 3.3Å; I94-L98 PolarHBondContact O-N 2.96Å |
| 95 | L | 95.2 | Very high | 89.7 | Confident | 107 Ų | 107 | 107.8 Ų | 107.8 | 56% | 0.56 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.4 | -47.9 | 175.7 | -88.6 | 162.1 | 0 | 0 | 0 | 111.6 | L91 E92 A97 L98 L99 | L91-L95 PolarHBondContact O-N 3.5Å; E92-L95 PolarHBondContact O-N 3.06Å; L95-A97 PolarHBondContact O-N 2.89Å; L95-L98 PolarHBondContact O-N 3.49Å; L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 PolarHBondContact O-N 2.92Å |
| 96 | V | 95.3 | Very high | 87.9 | Confident | 87 Ų | 87 | 107.3 Ų | 107.3 | 53% | 0.527 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.1 | -43.6 | 177.3 | 172.5 | 0 | 0 | 0 | 0 | 111 | E92 L98 L99 Q100 | E92-V96 VanDerWaalsContact O-CG2 3.3Å; E92-V96 WeakPolarHBondContact O-CG2 3.43Å; E92-V96 PolarHBondContact O-N 2.87Å; V96-L98 PolarHBondContact O-N 2.91Å; V96-L99 PolarHBondContact O-N 3.43Å; V96-Q100 WeakPolarHBondContact O-CB 3.28Å; V96-Q100 PolarHBondContact O-N 3.35Å |
| 97 | A | 94.8 | Very high | 86.1 | Confident | 56 Ų | 56 | 110.2 Ų | 110.2 | 46% | 0.463 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | S93 I94 L95 K101 | S93-A97 VanDerWaalsContact O-CB 3.29Å; S93-A97 WeakPolarHBondContact O-CB 3.21Å; S93-A97 PolarHBondContact O-N 3.46Å; I94-A97 PolarHBondContact O-N 2.9Å; L95-A97 PolarHBondContact O-N 2.89Å; A97-K101 WeakPolarHBondContact O-CB 3.16Å; A97-K101 PolarHBondContact O-N 3.43Å |
| 98 | L | 94.6 | Very high | 84 | Confident | 103 Ų | 103 | 112.3 Ų | 112.3 | 54% | 0.539 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67 | -42.4 | 176.1 | -77 | 170.3 | 0 | 0 | 0 | 112.1 | I94 L95 V96 K101 H102 | I94-L98 HydrophobicContact CG2-CD1 4.01Å; I94-L98 WeakPolarHBondContact O-CB 3.33Å; I94-L98 WeakPolarHBondContact O-CG 3.3Å; I94-L98 PolarHBondContact O-N 2.96Å; L95-L98 PolarHBondContact O-N 3.49Å; V96-L98 PolarHBondContact O-N 2.91Å; L98-K101 PolarHBondContact O-N 3.36Å; L98-H102 PolarHBondContact O-N 3.06Å |
| 99 | L | 91.2 | Very high | 83.4 | Confident | 128 Ų | 128 | 112.1 Ų | 112.1 | 67% | 0.67 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.7 | -45.8 | 177.1 | -174.9 | 65 | 0 | 0 | 0 | 111.1 | L95 V96 K101 H102 S103 | L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 PolarHBondContact O-N 2.92Å; V96-L99 PolarHBondContact O-N 3.43Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 PolarHBondContact O-N 3.13Å; L99-H102 PolarHBondContact O-N 3.49Å; L99-S103 WeakPolarHBondContact O-CB 3.25Å; L99-S103 PolarHBondContact O-N 3.34Å |
| 100 | Q | 86.9 | Confident | 82.9 | Confident | 119 Ų | 119 | 112.1 Ų | 112.1 | 56% | 0.556 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.9 | -39.2 | 177.1 | -163.9 | -178.3 | 1.5 | 0 | 0 | 111.4 | V96 H102 S103 R104 | V96-Q100 WeakPolarHBondContact O-CB 3.28Å; V96-Q100 PolarHBondContact O-N 3.35Å; Q100-H102 PolarHBondContact O-N 3.34Å; Q100-S103 PolarHBondContact O-N 3.31Å; Q100-R104 WeakPolarHBondContact O-CB 3.45Å; Q100-R104 PolarHBondContact O-N 3.46Å |
| 101 | K | 87.6 | Confident | 82.1 | Confident | 146 Ų | 146 | 113.6 Ų | 113.6 | 64% | 0.635 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.4 | -42.5 | 175.8 | -177.3 | 179.4 | 179.7 | -173.7 | 0 | 111.9 | A97 L98 L99 R104 N105 | A97-K101 WeakPolarHBondContact O-CB 3.16Å; A97-K101 PolarHBondContact O-N 3.43Å; L98-K101 PolarHBondContact O-N 3.36Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 PolarHBondContact O-N 3.13Å; K101-R104 PolarHBondContact O-N 2.9Å; K101-N105 WeakPolarHBondContact O-CB 2.96Å; K101-N105 PolarHBondContact O-N 3.11Å |
| 102 | H | 79.3 | Confident | 81.3 | Confident | 141 Ų | 141 | 113.9 Ų | 113.9 | 65% | 0.653 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.1 | -40.2 | 179.7 | -164.5 | -162.6 | 0 | 0 | 0 | 112.1 | L98 L99 Q100 R104 N105 S106 | L98-H102 PolarHBondContact O-N 3.06Å; L99-H102 PolarHBondContact O-N 3.49Å; Q100-H102 PolarHBondContact O-N 3.34Å; H102-R104 VanDerWaalsContact C-N 3.3Å; H102-R104 PolarHBondContact O-N 3.34Å; H102-N105 PolarHBondContact O-N 3.44Å; H102-S106 PolarHBondContact O-N 3.1Å |
| 103 | S | 74.4 | Confident | 80.5 | Confident | 76 Ų | 76 | 114.2 Ų | 114.2 | 53% | 0.531 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -60 | -39.8 | 173 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | L99 Q100 | L99-S103 WeakPolarHBondContact O-CB 3.25Å; L99-S103 PolarHBondContact O-N 3.34Å; Q100-S103 PolarHBondContact O-N 3.31Å |
| 104 | R | 66.1 | Low | 79.5 | Confident | 190 Ų | 190 | 117.3 Ų | 117.3 | 72% | 0.717 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.7 | -33.5 | 176.7 | -128.7 | 177.6 | 166.5 | 133.6 | -1.5 | 113.3 | Q100 K101 H102 S106 | Q100-R104 WeakPolarHBondContact O-CB 3.45Å; Q100-R104 PolarHBondContact O-N 3.46Å; K101-R104 PolarHBondContact O-N 2.9Å; H102-R104 VanDerWaalsContact C-N 3.3Å; H102-R104 PolarHBondContact O-N 3.34Å; R104-S106 VanDerWaalsContact C-N 3.31Å |
| 105 | N | 66.8 | Low | 78.3 | Confident | 123 Ų | 123 | 119.9 Ų | 119.9 | 66% | 0.658 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -81.3 | -10.4 | -178.4 | -154.5 | 9.4 | 0 | 0 | 0 | 113.2 | K101 H102 | K101-N105 WeakPolarHBondContact O-CB 2.96Å; K101-N105 PolarHBondContact O-N 3.11Å; H102-N105 PolarHBondContact O-N 3.44Å |
| 106 | S | 57.5 | Low | 77 | Confident | 98 Ų | 98 | 120.8 Ų | 120.8 | 69% | 0.685 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -2.3 | 175.2 | -168.8 | 0 | 0 | 0 | 0 | 113.5 | H102 R104 | H102-S106 PolarHBondContact O-N 3.1Å; R104-S106 VanDerWaalsContact C-N 3.31Å |
| 107 | Q | 56.4 | Low | 75.5 | Confident | 176 Ų | 176 | 123.7 Ų | 123.7 | 82% | 0.822 | 69% | 0.687 | S | S | * | * | trans | -107.9 | 6.3 | 179.5 | -77.6 | -169.7 | -25.6 | 0 | 0 | 114 | ||||
| 108 | G | 50.7 | Low | 73.8 | Confident | 128 Ų | 128 | 129.8 Ų | 129.8 | 100% | 1.32 | 71% | 0.708 | S | S | * | * | trans | -117.2 | 0 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 108 of 108 residues in 73.2 ms
(Link to these results)